0 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.28 CC(=O)OCOC(C)=O SBB061325 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 CCCCOC(N)=O SBB060819 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 COCCOC(C)=O SBB060999 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [0,1,0,0,0,0|0,0,2]=3 13 B9R0.7 CN(C)C(=O)CCC(=O)O SBB008073 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.56 CC(=O)OCC[N+](C)(C)C SBB058711 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.56 C[N+](C)(C)CCOC(N)=O SBB057998 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.53 CC(=O)OC1CC(=O)N1 SBB056246 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,0,0,1,0,0|2,0,1]=4 21 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,1,0|2,0,1]=4 22 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,1,0|1,0,1]=3 23 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,1,0|3,0,0]=4 24 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,0,0,0,1,0|3,0,0]=4 25 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,1,0|3,0,0]=4 26 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,0,0,1,0|1,0,2]=4 27 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,1,0|1,0,2]=4 29 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,0,0,0,0,1|1,0,1]=3 30 B9R0.55 CC(=O)NCCNC(C)=O SBB007829 [0,0,0,0,0,1|2,0,1]=4 31 B9R0.55 CC(=O)OCCOC(C)=O SBB060701 [0,0,0,0,0,1|1,0,1]=3 32 B6R0.4 C=CCCC(=O)O SBB061214 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.4 C=COCC(C)C SBB060157 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 CC(C)COC=O SBB061244 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|0,0,1]=3 39 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 CCCCOC=O SBB060300 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.6 CCCCOC(=O)CC SBB060578 [1,1,0,0,0,0|0,0,2]=4 42 B8R0.6 CCCCOC(=O)CCl SBB060760 [1,1,0,0,0,0|0,0,2]=4 43 B8R0.6 CCCCOC(=O)CF SBB085867 [1,1,0,0,0,0|0,0,2]=4 44 B8R0.6 CCCCOC(=O)CS SBB061004 [1,1,0,0,0,0|0,0,2]=4 45 B8R0.7 CC(=O)CCCOC=O SBB001557 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.7 CCCCCOC(C)=O SBB060027 [1,1,0,0,0,0|0,0,2]=4 48 B8R0.7 CCOCCOC(C)=O SBB061000 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,1,0,0,1,0|1,0,0]=3 50 B10R0.96 CC(=O)OCC(C)OC(C)=O SBB008331 [0,1,0,0,0,1|1,0,1]=4 51 B10R0.3 CC(C)=CCCC(C)CC=O SBB068490 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.3 CC(C)=CCC\C(C)=C\C=O SBB060834 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.3 CC(C)=CCC\C(C)=C\CO SBB007719 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [0,2,0,0,0,0|0,0,2]=4 55 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,1,1,0|2,0,0]=4 57 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,1,0|1,0,1]=4 58 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,1,1,0|1,0,1]=4 59 B8R1.51 CC1=CC[S+](=O)([O-])C1 SBB041229 [0,0,0,1,1,0|2,0,0]=4 60 B10R1.13 C=C(C)[C@H]1CC=C(C)CC1 SBB055254 [0,1,0,1,0,0|2,0,0]=4 61 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,0,0,2,0|0,0,1]=3 62 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,2,0|0,0,0]=2 63 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,2,0|1,0,0]=3 64 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,2,0|0,0,1]=3 65 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,2,0|2,0,0]=4 66 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,2,0|1,0,0]=3 67 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,2,0|1,0,0]=3 68 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,2,0|1,0,0]=3 69 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,2,0|1,0,1]=4 70 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,2,0|1,0,1]=4 71 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,0,0,2,0|2,0,0]=4 72 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,0,0,2,0|2,0,0]=4 73 B10R0.97 CC(=O)OCCCOC(C)=O SBB008022 [0,0,0,0,0,2|1,0,1]=4