0 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.64 CN(C)CC1CCCC1=O PH018698 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.64 CN(C)CC1CCCC1=O S235504 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.64 O=C(O)CN1CCCC1=O PH009795 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.64 O=C(O)CN1CCOC1=O CBR00228 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,0,0|0,0,3]=4 8 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.13 NC(=O)NC1CCCC1 S345148 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.33 C=CCC1CCOC1=O T230685 [1,0,0,0,0,0|1,1,1]=4 11 B11R1.228 COC(=O)CC1CCCC1=O T177318 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.313 CC(=O)CC1CCC(C1=O)C T214094 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.495 CC(=O)NN1C(=O)CCC1C PH007721 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.495 CC(=O)NN1C(=O)CSC1=S L202967 [0,1,0,0,0,0|1,1,1]=4 15 B11R1.495 CC(=O)NN1C(=O)CSC1=S S406252 [0,1,0,0,0,0|1,1,1]=4 16 B9R0.23 [C@@H](C)(NC(=O)C)C(=O)OC S933279 [0,0,1,0,0,0|0,1,0]=2 17 B9R0.39 CC(=O)NC(CO)C(=O)N S784052 [0,0,1,0,0,0|2,0,0]=3 18 B9R0.39 CC(=O)NC(CO)C(=O)N S787175 [0,0,1,0,0,0|2,0,0]=3 19 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O CDS006442 [0,0,1,0,0,0|2,1,0]=4 20 B9R0.39 [C@@H](CC)(NC(=O)C)C(=O)O S777684 [0,0,1,0,0,0|0,1,0]=2 21 B11R2.66 [C@H]12C=C(C[C@H]1C(=O)CC2)C T227854 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.41 CC(=O)N1CCNC1=O R593206 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.41 NC(=O)N1CCCC1=O R100803 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.157 O=C(O)CC1CCCC(=O)C1 PH018197 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.7 C(=O)OCCCC(=O)C R396036 [1,0,1,0,0,0|0,1,0]=3 28 B8R0.7 CC(=O)NCCCCN CDS021099 [1,0,1,0,0,0|1,0,1]=4 29 B8R0.9 BC(=O)NCC(=O)OC R277398 [1,0,1,0,0,0|1,1,0]=4 30 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.9 CCC(=O)COC(=O)C S362409 [1,0,1,0,0,0|1,0,0]=3 33 B8R0.9 CNC(=O)CNC(=O)C S782807 [1,0,1,0,0,0|1,0,0]=3 34 B8R0.9 COC(=O)CNC(=O)C S785687 [1,0,1,0,0,0|0,1,0]=3 35 B8R0.9 CSC(=S)NNC(=O)C S986798 [1,0,1,0,0,0|1,1,0]=4 36 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [1,0,1,0,0,0|2,0,0]=4 37 B8R0.23 CC(=O)NC(C)C(=O)N S784060 [1,0,1,0,0,0|1,0,0]=3 38 B8R0.23 CC(=O)NC(C)C(=O)O S783099 [1,0,1,0,0,0|0,1,0]=3 39 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [1,0,1,0,0,0|2,0,0]=4 40 B8R1.11 CCC1CCNC1=O CBR01663 [2,0,0,0,0,0|1,0,1]=4 41 B10R0.97 CC(=O)NCSCCC(=O)O CDS005207 [0,1,1,0,0,0|2,0,0]=4 42 B10R0.23 C#CCC(NC(=O)C)C(=O)O PH011747 [0,1,1,0,0,0|1,0,1]=4 43 B10R0.23 C=CCC(NC(=O)C)C(=O)O S802913 [0,1,1,0,0,0|1,0,1]=4 44 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O CDS000759 [0,1,1,0,0,0|1,0,0]=3 45 B10R0.23 CSCC(NC(=O)C)C(=O)O S784133 [0,1,1,0,0,0|2,0,0]=4 46 B10R0.13 CC(=O)NC(C)C(=O)N(C)C EME00398 [0,1,1,0,0,0|1,0,0]=3 47 B10R0.53 CCC(NC(=O)CCl)C(=O)O R288136 [0,1,1,0,0,0|0,1,0]=3 48 B10R0.53 NCC(=O)NC(CO)C(=O)O S350265 [0,1,1,0,0,0|1,1,0]=4 49 B10R0.53 O=C(CCl)NC(CO)C(=O)O S343994 [0,1,1,0,0,0|1,1,0]=4 50 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C S777277 [0,1,1,0,0,0|0,1,0]=3 51 B10R1.130 O=CNC1CC(=O)OC1=O PH001520 [1,1,0,0,0,0|0,1,1]=4 52 B10R1.192 CC(=O)C1C(=O)CCC1=O R426911 [0,1,0,0,1,0|1,0,1]=4 53 B10R1.194 CC(=O)C1COC(=O)C1=O PH009433 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.371 COC(=O)CC1NCCNC1=O CBR01894 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.532 COC(=O)N[C@@H]1CC(=O)OC1=O PH016888 [0,2,0,0,0,0|0,1,1]=4 57 B10R1.14 COC(=O)C1CCC(=O)C1 SYX00133 [0,0,1,1,0,0|1,1,0]=4 58 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO CDS010410 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,0,1,1,0,0|0,1,0]=3 60 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.140 CCOC(=O)C1CC(=O)C1 T160598 [0,0,1,1,0,0|1,1,0]=4 62 B10R2.64 [C@H]12C=C(C[C@H]1C(=O)C2)C T227846 [0,0,0,1,1,0|2,0,0]=4 63 B8R0.18 CCC(C(=O)N)C(=O)N PH009400 [0,0,1,0,1,0|2,0,0]=4 64 B10R0.84 CCC(NCC(=O)O)C(=O)O PH007338 [0,0,1,0,0,1|1,1,0]=4