0 B9R0.35 CCOC(=O)C(=O)C=[N+]=[N-] C90276 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCNC(=O)NCCO AT23087 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.1 CCOC(=O)NCCN AT13715 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.1 CCOC(=O)\C=C\CN 86087 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.3 C=C(CCl)C(=O)OCC T70430 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.19 C=CCCC(=O)C(=O)OCC F51472 [0,1,0,0,0,0|1,0,1]=3 9 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,1,0,0,0,0|1,0,0]=2 10 B10R0.33 CCOC(=O)[C@H](C=O)OCC AT14239 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.4 NCCN1CCCCC1=O 71801 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.4 O=C1CCCCN1CCO D96983 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,0,0,1,0,0|1,1,1]=4 16 B10R1.11 NCCC(=O)N1CCCC1 C78391 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.11 O=C(CCCl)N1CCCC1 C78373 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.212 CN(C(=O)CCN)C1CC1 72189 [0,0,0,1,0,0|3,0,0]=4 19 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,0,0,0,0,1|0,0,0]=1 20 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,0,0,0,0,1|2,0,1]=4 21 B7R0.1 C=CC\C=C\CCC T72633 [2,0,0,0,0,0|0,0,2]=4 22 B7R0.1 OCC\C=C\CCO AT19969 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.3 CCC(=O)OCOC D72002 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.3 CCCNC(=O)CN C78397 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.7 O=C(CCBr)CCBr 52047 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.5 CCCC(=O)C(N)=O AC9508 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.10 C=C(CC)C(=O)OC 82635 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.5 CCOC(=O)CCCNC AB10379 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [1,1,0,0,0,0|1,0,1]=4 32 B11R0.5 C#CCCC(=O)CC(=O)OCC 89837 [0,1,0,0,0,1|1,0,1]=4 33 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC E72416 [0,2,0,0,0,0|1,0,0]=3 34 B11R0.155 CCO\C=C\C(=O)C(=O)OCC 89848 [0,2,0,0,0,0|1,0,1]=4 35 B11R0.186 CCCC(=O)C(=O)OC(C)(C)C 96314 [0,2,0,0,0,0|1,0,0]=3 36 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.2 COC1=CC(=O)CCC1 63648 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.48 CN1CCCNC(=O)C1 AT20054 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.75 CNCC(=O)NC1CC1 F52060 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,0,0,1,0,0|1,0,1]=4 46 B11R1.16 CCCC(=O)C1CCNCC1 F16039 [0,1,0,1,0,0|1,0,1]=4 47 B11R1.16 CCOC(=O)C1=CCCCO1 S11628 [0,1,0,1,0,0|1,0,1]=4 48 B11R1.16 CCOC(=O)C1=COCCC1 F52657 [0,1,0,1,0,0|1,0,1]=4 49 B11R1.185 CCCN1C[C@@H](CN)CC1=O AT19152 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.185 CCCN1C[C@@H](CN)CC1=O AT19154 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.351 CCOC(=O)C(=O)CC1CC1 P11469 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 F18298 [0,1,0,1,0,0|2,0,0]=4 53 B11R2.106 O=C1CCCN2CCC[C@@H]12 C15384 [0,0,0,2,0,0|1,0,1]=4 54 B11R2.367 C=C1C(=O)C2CCN1CC2 F50825 [0,0,0,2,0,0|2,0,0]=4 55 B11R2.55 O=C1CCCC[C@H]1C2CC2 33404 [0,0,0,2,0,0|1,0,1]=4