0 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.5 C#CCOCC(=O)OCC AT18918 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.5 CCOC(=O)CCCNC AB10379 [1,0,0,0,0,0|1,0,1]=3 4 B9R0.5 CCOC(=O)CNCCN FD21627 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.5 C#CCCC(=O)CC(=O)OCC 89837 [0,1,0,0,0,0|0,0,1]=2 10 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14054 [0,0,0,1,0,0|1,0,1]=3 11 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14113 [0,0,0,1,0,0|1,0,1]=3 12 B11R1.110 CCOC1=CC(=O)NCCC1 F13707 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.199 CCOC(=O)C1CSCC1N 69819 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.199 CCOC(=O)[C@@H]1NCC=C1C F12646 [0,0,0,1,0,0|2,0,1]=4 15 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [0,0,0,1,0,0|1,0,1]=3 16 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [0,0,0,1,0,0|1,0,1]=3 17 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,0,0,1,0,0|1,0,1]=3 19 B9R0.35 CCOC(=O)C(=O)C=[N+]=[N-] C90276 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.1 CCOC(=O)NCCN AT13715 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.1 CCOC(=O)\C=C\CN 86087 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.5 CCCC(=O)CC(C)C T72726 [2,0,0,0,0,0|1,0,1]=4 23 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [2,0,0,0,0,0|0,0,2]=4 29 B8R0.19 COC(=O)CC(=O)CBr S11869 [2,0,0,0,0,0|1,0,0]=3 30 B10R0.1 CCOC(=O)CCCCCN 77390 [1,1,0,0,0,0|0,0,1]=3 31 B10R0.1 CCOC(=O)COCCCO S11911 [1,1,0,0,0,0|1,0,0]=3 32 B10R0.7 CCOC(=O)CS(=O)(=O)CC AC5826 [1,1,0,0,0,0|1,0,0]=3 33 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.35 CCCC(=O)[C@H](C)C(=O)ON W18321 [1,1,0,0,0,0|1,0,0]=3 35 B10R0.35 CCOC(=O)[C@@H](Cl)C(=O)CC D87881 [1,1,0,0,0,0|0,0,0]=2 36 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,1,0,0,1,0|0,0,0]=2 37 B10R0.33 CCOC(=O)[C@H](C=O)OCC AT14239 [0,1,0,0,1,0|1,0,1]=4 38 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,1,0,0,1,0|1,0,1]=4 39 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC S11597 [0,1,0,0,0,1|1,0,0]=3 40 B12R0.78 CCOC(=O)CC(=O)CC(F)(F)F C14517 [0,2,0,0,0,0|1,0,0]=3 41 B12R0.8 CCOC(=O)C(=NO)C(=O)OCC AC2236 [0,2,0,0,0,0|1,0,1]=4 42 B12R0.731 CCC[C@H](O)C(C)(C)C(=O)OCC AC8538 [0,2,0,0,0,0|0,0,2]=4 43 B12R0.731 CCC[C@H](O)C(F)(F)C(=O)OCC N13111 [0,2,0,0,0,0|0,0,2]=4 44 B12R0.731 [2H]C([2H])(C(=O)OCC)C(=O)OCC D98476 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.11 CCOC(=O)N1C=CCC1 C16232 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.19 CCN1CCCNCC1=O AT20058 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [1,0,0,1,0,0|0,0,2]=4 55 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.429 COC(=O)CC1(N)CCC1 F51919 [1,0,0,1,0,0|1,0,1]=4 58 B12R1.17 CCOC(=O)C1CCCC(N)C1 33661 [0,0,0,1,0,1|1,0,1]=4 59 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](N)C1 91235 [0,0,0,1,0,1|1,0,1]=4 60 B12R1.313 CCOC(=O)[C@@H]1CC(=O)C=C1C W17297 [0,0,0,1,0,1|0,0,2]=4 61 B12R1.32 CCOC(=O)C=C1CCCOC1 E72700 [0,1,0,1,0,0|0,0,2]=4 62 B12R1.308 CCOC(=O)C1=C(O)COCC1 W19712 [0,1,0,1,0,0|0,0,2]=4 63 B12R1.308 CCOC(=O)C1CCNCC1C P16206 [0,1,0,1,0,0|1,0,1]=4 64 B12R1.308 CCOC(=O)C1NCCCC1O AC5344 [0,1,0,1,0,0|0,0,2]=4 65 B12R1.308 CCOC(=O)[C@@H]1CCOC[C@@H]1N 56728 [0,1,0,1,0,0|1,0,1]=4 66 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F12981 [0,1,0,1,0,0|1,0,1]=4 67 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F15959 [0,1,0,1,0,0|1,0,1]=4 68 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C P16051 [0,1,0,1,0,0|1,0,1]=4 69 B12R1.1589 CCOC(=O)C1=C(C)OCC1=O 96461 [0,1,0,1,0,0|0,0,2]=4 70 B12R1.1446 CCOC(=O)[C@@H](Cl)C(=O)C1CC1 AT14779 [0,1,0,1,0,0|0,0,0]=2 71 B12R1.2246 CCOC(=O)[C@@H](C)C1(O)CCC1 89657 [0,1,0,1,0,0|0,0,2]=4 72 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC T72396 [0,1,0,1,0,0|2,0,0]=4 73 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC T73086 [0,1,0,1,0,0|2,0,0]=4 74 B12R1.1579 CCOC(=O)C1CCC(C)C1=O W17108 [0,1,0,1,0,0|0,0,0]=2 75 B12R2.2028 O=C1CC(=O)N2CCCC[C@@H]12 69431 [0,0,0,2,0,0|1,0,0]=3 76 B12R2.7420 O=C(CC(=O)C1CC1)C2CC2 D76685 [0,0,0,2,0,0|1,0,0]=3 77 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,0,0,0,1,0|1,0,0]=3 78 B8R0.3 C=C(CCl)C(=O)OCC T70430 [1,0,0,0,1,0|2,0,0]=4 79 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,0,0,0,1,0|1,0,1]=4 80 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [1,0,0,0,1,0|2,0,0]=4