0 B9R0.48 C/C=C/C(C)CNC(=O)N T181560 [1,0,0,0,0,0|3,0,0]=4 1 B9R0.55 CC(=O)NCCNC(=O)C S389382 [1,0,0,0,0,0|2,0,0]=3 2 B11R0.93 CC(=O)OC[C@@H](C)C[C@@H](C)CO T257168 [0,1,0,0,0,0|1,0,2]=4 3 B11R0.143 CC(=O)OCC(CO)OC(=O)C PH015247 [0,1,0,0,0,0|0,0,0]=1 4 B11R0.149 CC(=O)NC(O)C(O)NC(=O)C R395838 [0,1,0,0,0,0|3,0,0]=4 5 B11R0.232 CC(=O)OC(C)(C)CC=C(Cl)Cl S860905 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,0,0,1,0,0|1,0,2]=4 7 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.75 O=C(O)CCC1CCC(=O)N1 PH009802 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.710 CC(=O)OC1CCS(=O)(=O)C1 PH004385 [0,0,0,1,0,0|3,0,0]=4 10 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CDS020792 [0,0,0,0,1,0|2,0,0]=3 11 B9R0.7 NC(=O)OCC(N)C(=O)O PH008887 [0,0,0,0,1,0|3,0,0]=4 12 B9R0.53 CC(=O)NC(C)NC(=O)C S841404 [0,0,0,0,1,0|2,0,0]=3 13 B9R0.53 CC(=O)SC(C)CC(=O)O S357278 [0,0,0,0,1,0|1,1,0]=3 14 B9R0.53 CC(CC(=O)N)CC(=O)N S595306 [0,0,0,0,1,0|3,0,0]=4 15 B11R0.6 CC(=O)OCCC(C)OC(=O)C S507261 [0,0,0,0,0,1|0,0,0]=1 16 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,0,0,0,0,1|2,0,0]=3 17 B11R0.85 CC(=O)OCC(C)CCC(=O)O PH015210 [0,0,0,0,0,1|2,0,0]=3 18 B11R0.85 CC(COC(=O)N)COC(=O)N PH009658 [0,0,0,0,0,1|2,0,0]=3 19 B8R0.7 C(=O)OCCCC(=O)C R396036 [2,0,0,0,0,0|1,0,0]=3 20 B10R0.6 CCCOCC(C)OC(=O)C S84450 [1,1,0,0,0,0|0,0,1]=3 21 B10R0.43 CC(=O)CCC(C)(C)C(=O)O PH007646 [0,1,0,0,1,0|2,0,0]=4 22 B10R0.84 CCC(COC(=O)C)[N+](=O)[O-] S848859 [0,1,0,0,1,0|2,0,0]=4 23 B10R0.165 CC(=O)CC(C)(C)NC(=O)C CBR00383 [0,1,0,0,1,0|1,0,0]=3 24 B10R0.165 CC(=O)NC(C)(C)CC(=O)O S949892 [0,1,0,0,1,0|2,0,0]=4 25 B12R0.240 C(=C(C)C)CC[C@H](C)OC(=O)CCl T242683 [0,1,0,0,0,1|2,0,0]=4 26 B12R0.241 C(=C(\C)/CO)\CCC(C)OC(=O)C T242632 [0,1,0,0,0,1|1,0,1]=4 27 B12R0.241 C(=C(\C)/CO)\CC[C@H](C)OC(=O)C T242640 [0,1,0,0,0,1|1,0,1]=4 28 B12R0.52 COCC(COC(=O)C)OC(=O)C PH007002 [0,2,0,0,0,0|0,0,0]=2 29 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.361 CC(=O)C1=C(CC1)C(=O)C S38831 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,0,0,1,1,0|1,0,1]=4 33 B10R1.332 CN1CCC(=O)CCC1=O PH018619 [0,0,0,1,1,0|2,0,0]=4 34 B12R1.26 COC(=O)CCC1CCC(=O)N1 PH009358 [0,1,0,1,0,0|2,0,0]=4 35 B12R1.1819 CC(=O)OC1COC(OC1)(C)C T264539 [0,1,0,1,0,0|0,0,2]=4 36 B12R2.3863 C12CC(=O)CC1(CC(=O)C2)C T185345 [0,0,0,2,0,0|2,0,0]=4 37 B8R0.28 C=C(C)CCOC(=O)C S881171 [1,0,0,0,1,0|1,0,0]=3 38 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,0,0,0,1,0|2,0,0]=4 39 B8R0.28 CC(=O)CCOC(=O)C PH003361 [1,0,0,0,1,0|0,0,0]=2 40 B8R0.28 CC(=O)COCC(=O)C S38912 [1,0,0,0,1,0|2,0,0]=4 41 B8R0.28 CC(=O)NCNC(=O)C PH003004 [1,0,0,0,1,0|2,0,0]=4 42 B8R0.28 CC(=O)OCCN(C)C PH011981 [1,0,0,0,1,0|2,0,0]=4 43 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [0,0,0,0,2,0|1,0,0]=3 44 B8R0.23 CC(=O)NC(C)C(=O)N S784060 [0,0,0,0,2,0|2,0,0]=4 45 B8R0.23 CC(=O)NC(C)C(=O)O S783099 [0,0,0,0,2,0|2,0,0]=4 46 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [0,0,0,0,2,0|1,0,0]=3