0 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [0,0,0,0,0,0|1,0,2]=3 3 B8R0.28 CC(=O)CCCN(C)C 4156-1-51 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CC(=O)CCOC(C)C 2117-1-0F [0,0,0,0,0,0|2,0,1]=3 5 B8R0.28 CC(=O)OCC=C(C)C 2323-1-0B [0,0,0,0,0,0|0,0,0]=0 6 B8R0.28 CC(=O)OCC=C(F)F 2324-3-97 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.28 CC(=O)OCCN(C)C 4132-1-05 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.28 CC(=O)OCOC(C)=O 2123-1-27 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.28 CC(=O)\C=C\C=C(C)C 2317-1-09 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.28 CC(C)CCOC(=O)Cl 2116-5-27 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.28 CC(C)CCO[N+](=O)[O-] 4254-1-03 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 C=CCCOC(C)=O 2323-1-1E [1,0,0,0,0,0|0,0,2]=3 14 B7R0.4 C=C\C=C\OC(C)=O 2323-1-1G [1,0,0,0,0,0|0,0,2]=3 15 B7R0.4 CC(=O)OCCCCl 2123-5-0U [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CC(=O)OCCCF 2123-3-1D [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CC(C)=CCOC=O 2323-1-28 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.4 CCCCCC(C)=O 2117-1-14 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.4 CCCCOC(=O)Cl 2116-5-31 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.4 CCCCOC(N)=O 4156-1-2H [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 CCCCSC(C)=O 6166-1-0F [1,0,0,0,0,0|0,1,2]=4 22 B7R0.4 C\C=C\C=C\C(=O)Cl 2316-5-07 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.1 C=CC(=O)OCCC(C)C 2123-1-1B [0,1,0,0,0,0|0,0,3]=4 25 B9R0.1 CC(=O)\C=C\C=C(/C)C=O 2317-1-03 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.1 CC(C)=CCCC(C)C=O 2315-1-06 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.1 CCC(C)CCOC(C)=O 2123-1-1C [0,1,0,0,0,0|0,0,2]=3 28 B9R0.1 COC(C)CCOC(C)=O 2123-1-1E [0,1,0,0,0,0|0,0,2]=3 29 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.56 CC(=O)SCC[N+](C)(C)C 8166-9-01 [0,1,0,0,0,0|1,1,1]=4 31 B9R0.56 CC(=O)SCC[N+](C)(C)C 8166-H-01 [0,1,0,0,0,0|1,1,1]=4 32 B9R1.35 CC(=O)C1=CC(C)=CS1 6H17-1-13 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 CC(=O)C1=CC=C(C)O1 2H17-1-22 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.35 CC(=O)C1=NC(C)=CS1 8H17-1-0L [0,0,0,1,0,0|3,0,0]=4 35 B9R1.35 CC(=O)C1=NOC(C)=C1 4H17-1-30 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 CC1=NC(C(C)C)CO1 4H44-1-29 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.49 CN1CCCC(=O)CC1 4H56-5-AU [0,0,0,1,0,0|2,0,1]=4 38 B9R1.49 CN1CCNC(=O)CC1 4H48-1-1Z [0,0,0,1,0,0|2,0,1]=4 39 B9R1.53 CC(=O)OC1CC(=O)C1 2H29-1-32 [0,0,0,1,0,0|1,0,1]=3 40 B9R1.66 CC1(C)CC(=O)CCO1 2H17-1-0A [0,0,0,1,0,0|2,0,1]=4 41 B9R1.66 CC1(C)CCCC(=O)C1 2217-1-32 [0,0,0,1,0,0|1,0,2]=4 42 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [0,0,0,0,1,0|1,0,2]=4 43 B7R0.6 C=C(C)COC(C)=O 2324-1-0F [0,0,0,0,1,0|0,0,1]=2 44 B7R0.6 C=C(Cl)CSC(C)=O 6366-5-00 [0,0,0,0,1,0|1,1,1]=4 45 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [0,0,0,0,1,0|0,0,2]=3 46 B7R0.6 CC(=O)NNC(C)=O 4139-1-02 [0,0,0,0,1,0|3,0,0]=4 47 B7R0.6 CC(=O)OCC(C)F 2123-3-0L [0,0,0,0,1,0|1,0,1]=3 48 B7R0.6 CC(=O)ON=C(C)C 4156-1-59 [0,0,0,0,1,0|1,0,0]=2 49 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [0,0,0,0,1,0|2,0,1]=4 50 B7R0.6 CC(=S)\N=C\N(C)C 7167-1-26 [0,0,0,0,1,0|2,1,0]=4 51 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [0,0,0,0,1,0|1,0,2]=4 52 B7R0.6 CC(F)COC(=O)Cl 2123-7-0B [0,0,0,0,1,0|2,0,1]=4 53 B9R0.55 CC(=O)CCOCC(C)C 2117-1-0G [0,0,0,0,0,1|1,0,2]=4 54 B9R0.55 CC(=O)NCCNC(C)=O 4148-1-27 [0,0,0,0,0,1|2,0,1]=4 55 B9R0.55 CC(=O)NCCOC(C)=O 4158-1-27 [0,0,0,0,0,1|1,0,1]=3 56 B6R0.4 C#CCOC(C)=O 2523-1-01 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.4 C=CCCC(=O)O 2321-1-0D [2,0,0,0,0,0|2,0,0]=4 58 B6R0.4 CC(=O)OCC=O 2123-1-53 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 CC(=O)OCCBr 2123-9-24 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CC(=O)OCCCl 2123-5-0M [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 CC(C)=CCC#N 3337-1-X6 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(C)=CCCBr 1300-9-10 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CC(C)CON=O 4145-1-01 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 CC(F)COC=O 2123-3-0J [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 CCCCC(C)=O 2117-1-11 [2,0,0,0,0,0|0,0,2]=4 66 B6R0.4 CCCOC(=O)Cl 2116-5-30 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 CCCOC(N)=O 4156-1-2G [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 CCCSC(C)=O 6166-1-0A [2,0,0,0,0,0|0,1,1]=4 69 B6R0.4 CO\C=C\C(C)=O 2317-1-00 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 CSCCC(C)=O 6166-1-0J [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 C\C=C\C=C\C=O 2315-1-X2 [2,0,0,0,0,0|1,0,1]=4 72 B8R0.6 CCCCOC(=O)CF 2123-3-X1 [1,1,0,0,0,0|0,0,2]=4 73 B8R0.6 COCCOC(=O)CCl 2123-5-1J [1,1,0,0,0,0|1,0,1]=4 74 B8R0.6 C\C=C\C=C\C(=O)OC 2323-1-0M [1,1,0,0,0,0|1,0,1]=4 75 B8R0.7 CC(=O)OCCCCBr 2123-9-19 [1,1,0,0,0,0|0,0,2]=4 76 B8R0.7 CC(=O)OCCCCCl 2123-5-0W [1,1,0,0,0,0|0,0,2]=4 77 B8R0.7 CC(=O)OCCCCI 2123-H-02 [1,1,0,0,0,0|0,0,2]=4 78 B8R0.7 CSCCCOC(C)=O 6166-1-0K [1,1,0,0,0,0|0,0,2]=4 79 B8R0.9 CC(=O)OCC(=O)CCl 2129-5-0G [1,1,0,0,0,0|1,0,1]=4 80 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,1,0,0,1,0|2,0,0]=4 81 B8R0.29 CC(=O)CSC(C)(C)C 6166-1-03 [0,1,0,0,1,0|1,0,1]=4 82 B8R0.29 CC(=O)OCC(C)(F)F 2123-3-6W [0,1,0,0,1,0|1,0,1]=4 83 B8R0.29 CC(=O)OC[Si](C)(C)C 6180-1-04 [0,1,0,0,1,0|0,1,0]=3 84 B8R0.29 CC(=O)ONC(C)(C)C 4156-5-0H [0,1,0,0,1,0|1,0,1]=4 85 B10R0.96 CC(=O)OCC(C)OC(C)=O 2123-1-83 [0,1,0,0,0,1|1,0,1]=4 86 B10R0.3 CC(C)=CCC[C@@H](C)CC=O 2315-1-R0 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.3 CC(C)=CCC[C@H](C)CC=O 2315-1-S0 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.3 CC(C)=CCC\C(C)=C\C#N 3337-1-08 [0,2,0,0,0,0|2,0,0]=4 89 B10R0.3 CC(C)=CCC\C(C)=C\CO 2301-1-10 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C 4156-5-17 [0,2,0,0,0,0|1,0,1]=4 91 B8R1.1 C=C[C@H]1COC(=O)C1 2H25-1-60 [1,0,0,1,0,0|0,0,2]=4 92 B8R1.7 NC(=O)C1CC=CC1 4448-1-01 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.19 CC1(C)CCOC1=O 2H25-1-2X [1,0,0,1,0,0|0,0,2]=4 94 B8R1.3 CC1CCC(=O)CC1 2217-1-X3 [0,0,0,1,1,0|0,0,2]=4 95 B8R1.3 O=C1CCC(=O)CC1 2218-1-X2 [0,0,0,1,1,0|1,0,1]=4 96 B8R1.3 O=C1CCC(=O)NC1 4H48-1-1E [0,0,0,1,1,0|2,0,0]=4 97 B8R1.51 CC1(C)CNC(=O)C1 4H48-1-DU [0,0,0,1,1,0|1,0,1]=4 98 B8R1.51 CC1(C)COC(=O)N1 4H56-1-NJ [0,0,0,1,1,0|1,0,1]=4 99 B8R1.51 CC1(C)COC(=O)O1 2H28-1-16 [0,0,0,1,1,0|1,0,1]=4 100 B8R1.51 CC1=NC(C)(C)CO1 4H44-1-0A [0,0,0,1,1,0|1,0,1]=4 101 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 2323-1-37 [0,0,0,1,0,1|1,0,1]=4 102 B10R1.59 CC(=O)N1CC(C)=CC1=O 4H17-1-92 [0,1,0,1,0,0|1,0,1]=4 103 B6R0.2 CC(=O)OC(C)Br 2123-9-25 [0,0,0,0,2,0|1,0,1]=4 104 B6R0.2 CC(=O)SC(C)=O 6166-1-0H [0,0,0,0,2,0|1,1,0]=4 105 B6R0.2 CC(=O)\C=C(\C)[O-] 2320-1-02 [0,0,0,0,2,0|1,0,0]=3 106 B6R0.2 CC(=O)\C=C(\C)[O-] 2322-1-06 [0,0,0,0,2,0|1,0,0]=3 107 B6R0.2 CC(=O)\C=C(\C)[O-] 9126-1-X0 [0,0,0,0,2,0|1,0,0]=3 108 B6R0.2 CC(=O)\C=C(\C)[O-] 9160-1-X0 [0,0,0,0,2,0|1,0,0]=3 109 B6R0.2 CC(=O)\C=C(\C)[O-] 9182-1-X0 [0,0,0,0,2,0|1,0,0]=3 110 B6R0.2 CC(=O)\[C-]=C(/C)[O-] 9118-1-01 [0,0,0,0,2,0|1,0,1]=4 111 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [0,0,0,0,2,0|1,0,0]=3 112 B6R0.2 CC(C)=C[N+](=O)[O-] 4354-1-00 [0,0,0,0,2,0|2,0,0]=4 113 B6R0.2 CC(C)CC(=O)O 2121-1-18 [0,0,0,0,2,0|1,0,1]=4 114 B6R0.2 CC(C)OC(N)=O 4156-1-2S [0,0,0,0,2,0|1,0,1]=4 115 B6R0.2 CN(C)CC(=O)O 4158-1-41 [0,0,0,0,2,0|2,0,0]=4