0 B10R0.30 CC[C@H](C)[C@H](NC=O)C(=O)O PH010493 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.15 C=CCC(CCC)C(=O)O PH004878 [1,0,0,0,0,0|0,0,2]=3 2 B9R0.15 CC/C=C(\CCC)/C(=O)O PH002965 [1,0,0,0,0,0|0,0,2]=3 3 B9R0.15 CCCC(CCC)C(=O)Cl CDS001452 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.29 CCC(C)C(NC)C(=O)O S783234 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.29 CCC(O)C(CC)[N+](=O)[O-] S848867 [1,0,0,0,0,0|1,0,1]=3 6 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O S783080 [0,1,0,0,0,0|2,0,1]=4 7 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O S783501 [0,1,0,0,0,0|2,0,1]=4 8 B11R0.237 CCCC(C(O)CC)[Si](C)(C)C T202916 [0,1,0,0,0,0|2,1,0]=4 9 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,0,1,0,0|2,0,0]=3 10 B11R1.225 COC(=O)[C@@H]1CC(OC1=O)C T260177 [0,0,0,1,0,0|1,0,2]=4 11 B11R1.672 CC1C[C@H](C(C1C)C)C(=O)O S114979 [0,0,0,1,0,0|1,0,0]=2 12 B11R1.672 O=C(O)C1OC(C(C1O)O)O PH008547 [0,0,0,1,0,0|3,0,0]=4 13 B11R0.236 CCCC(NC(=O)CCl)C(=O)O S450839 [0,0,0,0,0,1|1,0,2]=4 14 B8R0.3 CCCC(=O)C(Br)CC PH011136 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.3 CCCC(O)C(=O)CC PH008572 [2,0,0,0,0,0|0,0,2]=4 16 B8R0.3 CCCC(O)C(C)CC S412430 [2,0,0,0,0,0|1,0,0]=3 17 B8R0.20 CCC(O)C(CC)CC S442526 [2,0,0,0,0,0|1,0,1]=4 18 B8R0.22 CCCC(C=O)CCC PH014413 [2,0,0,0,0,0|0,0,0]=2 19 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.18 CCC(C(=O)C)C(C)C S373559 [2,0,0,0,0,0|2,0,0]=4 22 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O CDS000759 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.139 CCCC(CCC)S(=O)(=O)O PH015877 [1,1,0,0,0,0|1,0,0]=3 24 B10R0.94 CCC(CC)C(OC)C(=O)O PH015003 [1,1,0,0,0,0|2,0,0]=4 25 B10R0.17 CCCCC(C(=O)C)C(C)C S351725 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.17 CCCCC(C(=O)O)C(C)C PH010077 [1,1,0,0,0,0|1,0,0]=3 27 B12R0.400 CCCC(NC(=O)C(C)Br)C(=O)O S342769 [0,1,0,0,0,1|0,0,2]=4 28 B12R0.400 CCCC(NC(=O)C(C)N)C(=O)O R276804 [0,1,0,0,0,1|0,0,2]=4 29 B10R1.4 CCCC1CCCCC1O S365769 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.15 CCC(O)C1CCCCC1 PH000035 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.149 CCC(C)N1CCCC1=O PH008581 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [1,0,0,1,0,0|1,0,0]=3 33 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [1,0,0,1,0,0|0,0,2]=4 42 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.381 COCC1(CCC1)C(=O)O CBR00313 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.61 CC(O)C1CCCCC1O S362417 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,1,0,0|0,0,2]=4 50 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,0,0,1,0,0|0,0,0]=2 51 B12R1.354 CC1CCC(C(C1)C(=O)CCl)O S792349 [0,1,0,1,0,0|1,0,0]=3 52 B12R1.354 COC(=O)C1CC(CCC1=O)C T296252 [0,1,0,1,0,0|0,0,2]=4 53 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O BBO000397 [0,1,0,1,0,0|1,0,1]=4 54 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,1,0,1,0,0|1,0,0]=3 55 B12R2.1145 O=C(O)[C@@H]1CC2CC1[C@@H](C2)O T309389 [0,0,0,2,0,0|2,0,0]=4 56 B12R2.1392 O=C(O)C1CC2CCC1CC2 S928674 [0,0,0,2,0,0|1,0,0]=3 57 B12R2.2030 N[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O BBO000358 [0,0,0,2,0,0|2,0,0]=4