0 B10R0.19 CCCCC(=O)C(=O)OCC 2129-1-48 [1,0,0,0,0,0|1,0,1]=3 1 B10R0.19 CCCCC(Br)C(=O)OCC 2123-9-28 [1,0,0,0,0,0|1,0,0]=2 2 B10R0.19 CCOC(=O)[C@@H](N)CCSC 8166-5-01 [1,0,0,0,0,0|2,0,0]=3 3 B10R0.19 CCO\C=C(/C)C(=O)OCC 2324-1-07 [1,0,0,0,0,0|1,0,2]=4 4 B12R0.337 CCCCC(C(C)=O)C(=O)OCC 2129-1-32 [0,1,0,0,0,0|0,0,1]=2 5 B12R1.16 C=C1CCC(C(=O)OCC)CC1 2223-1-0G [0,0,0,1,0,0|0,0,2]=3 6 B12R1.16 CCOC(=O)C1CCC(O)CC1 2229-1-1R [0,0,0,1,0,0|1,0,0]=2 7 B12R1.16 CCOC(=O)N1CCC(=O)CC1 4H56-1-7W [0,0,0,1,0,0|2,0,1]=4 8 B12R1.16 CCOC(=O)N1CCC(Cl)CC1 4H56-5-PP [0,0,0,1,0,0|2,0,0]=3 9 B12R1.16 CCOC(=O)N1CCC(N)CC1 4H51-1-X9 [0,0,0,1,0,0|2,0,0]=3 10 B12R1.16 CCOC(=O)[C@H]1CC[C@H](N)CC1 4258-5-E0 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CC1 2229-1-1F [0,0,0,1,0,0|1,0,0]=2 12 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CO1 2H29-1-47 [0,0,0,1,0,0|2,0,0]=3 13 B12R1.308 CCOC(=O)C1=C(C)OCCC1 2H23-1-40 [0,0,0,1,0,0|1,0,2]=4 14 B12R1.308 CCOC(=O)C1=C(N)CCCC1 4458-1-08 [0,0,0,1,0,0|1,0,2]=4 15 B12R1.308 CCOC(=O)C1CCCCC1O 2229-1-1Q [0,0,0,1,0,0|1,0,0]=2 16 B12R1.308 CCOC(=O)C1CCCCN1C 4H23-1-HH [0,0,0,1,0,0|1,0,0]=2 17 B12R1.308 CCOC(=O)C1CCCNC1C 4H23-5-1X [0,0,0,1,0,0|1,0,0]=2 18 B12R1.308 CCOC(=O)C1CCCSC1=O 6H29-1-10 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.308 CCOC(=O)C1CCOCC1=O 2H29-1-29 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.308 CCOC(=O)C1CNCCC1=O 4H29-5-03 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 2229-1-1A [0,0,0,1,0,0|1,0,0]=2 22 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C 4H23-5-1U [0,0,0,1,0,0|1,0,0]=2 23 B12R1.1564 CCOC(=O)C1CCCCCC1 2223-1-59 [0,0,0,1,0,0|0,0,0]=1 24 B12R1.1579 CCOC(=O)C1CCN(C)C1=O 4H29-1-5A [0,0,0,1,0,0|2,0,1]=4 25 B12R1.3395 CCOC(=O)C1(C#N)CCCC1 4237-1-14 [0,0,0,1,0,0|1,0,1]=3 26 B9R0.5 C=CCCCC(=O)OCC 2323-1-13 [2,0,0,0,0,0|0,0,2]=4 27 B9R0.5 CCC\C=C\C(=O)OCC 2124-1-01 [2,0,0,0,0,0|0,0,2]=4 28 B9R0.5 CCOC(=O)CCCC=O 2123-1-73 [2,0,0,0,0,0|1,0,1]=4 29 B9R0.5 CCOC(=O)CCCCBr 2123-9-33 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.5 CCOC(=O)CCCCI 2123-H-01 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.5 CCOC(=O)CCCCO 2129-1-60 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.5 CCOC(=O)OCCCCl 2128-5-0N [2,0,0,0,0,0|2,0,0]=4 33 B9R0.5 CC\C=C\CC(=O)OCC 2324-1-24 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.8 CCCCC(Br)C(=O)OC 2123-9-27 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.8 CCCCC(C)C(C)CC 1100-1-30 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.8 CCCC[C@@H](N)C(=O)OC 4158-5-RM [2,0,0,0,0,0|1,0,0]=3 37 B9R0.8 CCCC[C@H](N)C(=O)OC 4158-5-SM [2,0,0,0,0,0|1,0,0]=3 38 B9R0.8 COC(=O)[C@@H](N)CCSC 8166-5-S0 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.8 COC(=O)[C@H](N)CCSC 8166-5-R0 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.35 C=CCC(C)C(=O)OCC 2323-1-12 [2,0,0,0,0,0|0,0,2]=4 41 B9R0.35 CCCC(=O)C(=O)OCC 2129-1-1D [2,0,0,0,0,0|1,0,1]=4 42 B9R0.35 CCCC(=O)C(O)CCC 2120-1-06 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.35 CCC[C@H](N)C(=O)OCC 4158-5-SQ [2,0,0,0,0,0|1,0,0]=3 44 B9R0.37 CCOC(=O)C(C#N)CC 4137-1-X1 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.13 CCCCC(CC)C(=O)O 2121-1-27 [2,0,0,0,0,0|0,0,0]=2 46 B9R0.13 CCCCC(CC)C(=O)[O-] 2122-1-0A [2,0,0,0,0,0|0,0,1]=3 47 B11R0.155 CCOC(=O)C(N)CCCCN 4158-5-38 [1,1,0,0,0,0|1,0,0]=3 48 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 4158-5-S5 [1,1,0,0,0,0|1,0,0]=3 49 B11R0.88 CCC(CC(=O)OC)C(=O)OC 2123-1-28 [1,1,0,0,0,0|1,0,1]=4 50 B13R0.1176 CCCC(C(=O)OCC)C(=O)OCC 2323-1-02 [0,2,0,0,0,0|1,0,1]=4 51 B13R0.1176 CCOC(=O)C(CCBr)C(=O)OCC 2123-9-12 [0,2,0,0,0,0|1,0,1]=4 52 B13R0.159 CCOC(=O)C(CCSC)NC(C)=O 8166-1-02 [0,2,0,0,0,0|1,0,1]=4 53 B13R0.379 CCN(CCCN)C(=O)OC(C)(C)C 4156-1-12 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.15 CCOC(=O)C1CCN(C)C1 4H23-1-DE [1,0,0,1,0,0|1,0,0]=3 55 B11R1.15 CCOC(=O)[C@@H]1CC(C)CN1 4H58-1-SB [1,0,0,1,0,0|1,0,0]=3 56 B11R1.16 CCOC(=O)C1CC=CCC1 2423-1-0H [1,0,0,1,0,0|0,0,2]=4 57 B11R1.16 CCOC(=O)C1CCCCN1 4H58-1-87 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.16 CCOC(=O)C1CCNCC1 4H56-1-X4 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.16 CCOC(=O)C1CCOCC1 2H23-1-0T [1,0,0,1,0,0|1,0,0]=3 60 B11R1.16 CCOC(=O)C1CNCCO1 4H23-1-6W [1,0,0,1,0,0|2,0,0]=4 61 B11R1.16 CCOC(=O)C1COCCN1 4H23-5-2V [1,0,0,1,0,0|2,0,0]=4 62 B11R1.16 CCOC(=O)C1CSCCN1 8H70-1-Z8 [1,0,0,1,0,0|2,0,0]=4 63 B11R1.16 CCOC(=O)C1CSCCN1 8H70-5-Y4 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.16 CCOC(=O)C1OCCCO1 2H23-1-1P [1,0,0,1,0,0|2,0,0]=4 65 B11R1.16 CCOC(=O)N1CCCCC1 4H56-1-06Z [1,0,0,1,0,0|1,0,0]=3 66 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 4H23-5-S6 [1,0,0,1,0,0|1,0,0]=3 67 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 4H22-1-65 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.16 CCOC(=O)[C@H]1CCCCN1 4H23-5-R6 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.16 CCOC(=O)[C@H]1CCCNC1 4H22-1-66 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.230 CCCCC1CC(=O)OC1=O 2H26-1-0J [1,0,0,1,0,0|1,0,1]=4 71 B11R1.351 CCOC(=O)C(=O)CC1CC1 2229-1-1L [1,0,0,1,0,0|1,0,1]=4 72 B11R1.381 CCN1CCCC[C@H](N)C1=O 4H53-1-S6 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.819 CCOC(=O)C1(N)CCCC1 4158-1-0Z [1,0,0,1,0,0|1,0,0]=3 74 B11R1.819 CCOC(=O)C1(O)CCCC1 2229-1-1Y [1,0,0,1,0,0|1,0,0]=3 75 B11R1.199 CCOC(=O)C1CCCC1=O 2229-1-20 [1,0,0,1,0,0|1,0,1]=4 76 B11R1.199 CCOC(=O)C1CCCC1O 2229-1-0H [1,0,0,1,0,0|1,0,0]=3 77 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 4230-1-02 [1,0,0,1,0,0|1,0,0]=3 78 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 4258-5-20 [1,0,0,1,0,0|1,0,0]=3 79 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 4258-5-0A [1,0,0,1,0,0|1,0,0]=3 80 B11R1.22 COC(=O)C1CCC(=O)CC1 2229-1-1B [1,0,0,1,0,0|1,0,1]=4 81 B11R1.22 COC(=O)C1CCC(C)NC1 4H56-5-97 [1,0,0,1,0,0|1,0,0]=3 82 B11R1.22 COC(=O)C1CCN(C)CC1 4H23-1-GZ [1,0,0,1,0,0|1,0,0]=3 83 B11R1.22 COC(=O)N1CCC(O)CC1 4H56-1-264 [1,0,0,1,0,0|2,0,0]=4 84 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 4H33-5-1F [1,0,0,1,0,0|1,0,0]=3 85 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 2229-1-61 [1,0,0,1,0,0|1,0,0]=3 86 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 2229-1-1H [1,0,0,1,0,0|1,0,0]=3 87 B11R1.222 COC(=O)C1CCCCC1=O 2229-1-1D [1,0,0,1,0,0|1,0,1]=4 88 B11R1.465 CCCCC1=C(C)CCC1=O 2417-1-13 [1,0,0,1,0,0|0,0,2]=4 89 B11R1.852 COC(=O)C1CCCCCC1 2223-1-60 [1,0,0,1,0,0|0,0,0]=2 90 B11R1.1472 COC(=O)C1(C#N)CCCC1 4237-1-0E [1,0,0,1,0,0|1,0,1]=4 91 B13R1.19 CCOC(=O)CN1CCC(N)CC1 4H58-5-02 [0,0,0,1,0,1|2,0,0]=4 92 B13R1.19 CCOC(=O)CN1CCN(C)CC1 4H23-1-KS [0,0,0,1,0,1|2,0,0]=4 93 B13R1.470 CCOC(=O)CC1CCCCC1=O 2229-1-49 [0,0,0,1,0,1|1,0,1]=4 94 B13R1.1575 CCOC(=O)\C=C1\CCCCCN1 4H23-1-5J [0,0,0,1,0,1|1,0,1]=4 95 B13R1.463 CCOC(=O)C1CCCCCC1=O 2229-1-09 [0,1,0,1,0,0|0,0,1]=3 96 B13R1.463 CCOC(=O)C1CNCCCC1=O 4H58-5-6C [0,1,0,1,0,0|1,0,1]=4 97 B13R1.1511 CCOC(=O)C1CCC(C)CC1=O 2229-1-1U [0,1,0,1,0,0|0,0,1]=3 98 B13R1.4506 CCOC(=O)C1C[C@](F)(CF)CN1 4H58-7-R2 [0,1,0,1,0,0|2,0,0]=4 99 B13R1.4458 CCOC(=O)C1(C(C)=O)CCCC1 2223-1-87 [0,1,0,1,0,0|0,0,1]=3 100 B13R1.12 CCOC(=O)C1CCCN(C)C1=O 4H29-1-4V [0,1,0,1,0,0|1,0,1]=4 101 B13R1.452 CCOC(=O)N1CCC(NC)CC1 4H56-1-07M [0,1,0,1,0,0|1,0,0]=3 102 B13R1.4472 CCOC(=O)C1(C#N)CCCCC1 4237-1-07 [0,1,0,1,0,0|1,0,1]=4 103 B13R1.4472 [C-]#[N+]C1(C(=O)OCC)CCCCC1 4237-1-0M [0,1,0,1,0,0|1,0,1]=4 104 B13R2.5102 O=C1OCCC12CCC(O)CC2 2H25-1-76 [0,0,0,2,0,0|1,0,0]=3 105 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 2H26-1-03 [0,0,0,2,0,0|1,0,1]=4 106 B13R2.856 CCOC(=O)C1CC2CCC1N2 4H58-5-4S [0,0,0,2,0,0|1,0,0]=3