0 B10R0.165 C=C(C)CC(C)(O)CC(=C)C S504963 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.165 CC(=O)CC(C)(C)C[N+](=O)[O-] S764728 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.165 CC(=O)CC(C)(C)NC(=O)C CBR00383 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.165 CC(=O)NC(C)(C)CC(=O)O S949892 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.165 CC(C)(CC(=O)O)C[N+](=O)[O-] VBP00283 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.165 O=C(O)CC(Cl)(Cl)CC(=O)O S906034 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O PH010373 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.53 C=C(CC(=O)O)CC(=O)O PH009650 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.53 CC(=O)SC(C)CC(=O)O S357278 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.53 CC(CC(=O)N)CC(=O)N S595306 [1,0,0,0,0,0|2,0,0]=3 10 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O S349313 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.489 CC1(OC(=O)CC1C(=O)O)C S462535 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.732 O=C(O)C1C(C1(Cl)Cl)C(=O)O S18156 [0,0,0,1,0,0|2,0,0]=3 13 B9R0.11 C=C(C)CC(C)(C)C(=O)O PH007652 [0,0,0,0,1,0|3,0,0]=4 14 B9R0.11 CC(=O)C(C)(C)CC(=O)O S950106 [0,0,0,0,1,0|2,0,0]=3 15 B9R0.11 CC(=O)CC(C)(C)C(=O)O PH002522 [0,0,0,0,1,0|2,0,0]=3 16 B9R0.11 CC(C)(NC(=O)N)C(=O)O L159352 [0,0,0,0,1,0|3,0,0]=4 17 B9R0.11 O=C(O)CC(F)(F)C(=O)O CDS002643 [0,0,0,0,1,0|2,0,0]=3 18 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O T205397 [0,0,0,0,0,1|1,0,0]=2 19 B8R0.28 CC(=O)CCCC(=O)N PH008391 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.28 NC(=O)COCC(=O)O CBR00075 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.28 NC(=O)CSCC(=O)O EME00128 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.30 C=CCC(C)(O)CC=C S417394 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [2,0,0,0,0,0|0,0,1]=3 25 B10R0.13 CC(CC(=O)O)C(C)C(=O)O S408042 [1,1,0,0,0,0|0,0,0]=2 26 B10R0.117 CC(C(=O)O)C(C)(C)C(=O)O PH008862 [0,1,0,0,1,0|1,0,0]=3 27 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O S455466 [0,2,0,0,0,0|0,0,1]=3 28 B12R0.500 COC(=O)CC(C)(C)CC(=O)OC S34976 [0,2,0,0,0,0|1,0,0]=3 29 B10R1.59 C[C@H]1OC(=O)N[C@@H]1C(=O)O PH017276 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O L167959 [1,0,0,1,0,0|0,0,2]=4 31 B10R1.444 CC1(CC(=O)OC1CO)C R160636 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.470 CC1=NOC(C1)(C)C(=O)O CBR01462 [0,0,0,1,1,0|2,0,0]=4 33 B12R1.3108 O=C(O)CCC1(CC1)CC(=O)O T205346 [0,0,0,1,0,1|1,0,0]=3 34 B12R1.1257 CC1(CCCC(=O)C1)CC(=O)O T235539 [0,1,0,1,0,0|2,0,0]=4 35 B12R1.1257 C[C@]1(CCCC(=O)C1)CC(=O)O T291870 [0,1,0,1,0,0|2,0,0]=4 36 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [1,0,0,0,1,0|1,0,0]=3 37 B8R0.23 CC(=O)NC(C)C(=O)O S783099 [1,0,0,0,1,0|2,0,0]=4 38 B8R0.23 NC(=O)CC(Br)C(=O)O PH007627 [1,0,0,0,1,0|2,0,0]=4 39 B8R0.23 OC(=O)[C@H](O)CC(=O)N PH009423 [1,0,0,0,1,0|1,0,0]=3 40 B10R0.43 CC(=O)CCC(C)(C)C(=O)O PH007646 [0,0,0,0,1,1|2,0,0]=4 41 B12R0.388 C[Si](C)(CCC(=O)O)CCC(=O)O S771260 [0,0,0,0,0,2|1,1,0]=4