0 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.1 CCC1=NNC(N)=C1 A9777 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.1 CCC1=NOC(N)=C1 E41189 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.1 COC1=CC(=O)CC1 M61379 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.1 COC1=CC(=O)NC1 M41169 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 O=C1C=C(CBr)CO1 B31582 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.1 O=C1C=C(CI)CO1 I6261 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.1 O=C1C=C(CO)CO1 H1535 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,0,0,0|0,0,3]=4 22 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.50 CC1C(=O)CCC1=O M25293 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.50 O=C1CCC(=O)N1Br B37031 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.50 O=C1CCC(=O)N1I I1787 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.50 O=C1CCC(=O)N1O H68064 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.50 O=C1OCC(Br)=C1Br D2821 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.256 CCC1=C(C)C(=O)NC1=O E32183 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,0,1,0,0,0|1,0,1]=3 32 B8R0.6 CCCCCC(=O)CBr B43868 [0,0,1,0,0,0|1,0,2]=4 33 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,0,0,1,0,0|2,0,1]=4 34 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,0,0,1,0,0|0,1,2]=4 35 B10R1.25 CCC1=CNC(=O)NC1=O E38526 [0,0,0,0,0,1|1,0,2]=4 36 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,0,0,0,0,1|1,0,2]=4 37 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [0,0,0,0,0,1|1,0,2]=4 38 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.10 CCC(=O)C(=O)CC H41459 [1,0,1,0,0,0|0,0,1]=3 44 B7R0.3 CCCCC(=O)NN P40425 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.3 COC(=O)C=CCBr M37461 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.3 COC(=O)\C=C\CBr M41176 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.3 COC=CC(=O)OC M39186 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.3 CO\C=C\C(=O)OC M41228 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.4 CCCOCC(=O)O P40387 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.4 CNCCCC(=O)O M63276 [1,0,1,0,0,0|1,0,1]=4 51 B7R0.4 COCCCC(=O)O M67387 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.4 O=C(O)CCCCBr B39187 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.4 O=C(O)CCCCCl C39191 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.4 O=C(O)CCCCO H37199 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.15 CCC(CC)C(=O)[O-] M43580 [1,0,1,0,0,0|0,0,2]=4 56 B7R1.1 BrCC1=CCCC1 B7551 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.2 CC1=CC(=O)CC1 M22783 [2,0,0,0,0,0|0,0,0]=2 58 B7R1.2 CC1=CC(=O)CO1 M41117 [2,0,0,0,0,0|1,0,0]=3 59 B7R1.2 CC1=CC(=O)NN1 M12010 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 CC1=CC(=O)NO1 M68379 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.2 CN1CCC(=O)C1 M5444 [2,0,0,0,0,0|1,0,1]=4 62 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.2 O=C1C=C(Br)CO1 B3416 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.2 O=C1CCC(=O)C1 C13761 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.4 O=C1CCC=C1Br B3409 [2,0,0,0,0,0|1,0,0]=3 66 B7R1.4 O=C1CCC=C1O H41119 [2,0,0,0,0,0|0,0,0]=2 67 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,1,1,0,0,0|0,0,2]=4 68 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,1,1,0,0,0|2,0,0]=4 69 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [1,1,0,0,0,0|0,0,2]=4 70 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,0,1,1,0,0|2,0,0]=4 71 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,0,1,1,0,0|2,0,0]=4 72 B9R2.39 O=C1NC2CCC1C2 A64651 [1,0,0,1,0,0|1,0,1]=4 73 B9R2.39 O=C1OC2CCC1C2 X31814 [1,0,0,1,0,0|1,0,1]=4 74 B11R2.201 O=C1CC(=O)C2CCC1C2 B46830 [0,0,0,1,0,1|0,0,2]=4 75 B11R2.1 O=C1CCC2=C1COCO2 D6292 [0,1,0,1,0,0|1,0,0]=3 76 B11R2.60 CN1C=CC2=C1CCC2=O M60434 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,0,1,0|1,0,1]=4