0 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,0,0,0,0,0|2,0,0]=3 1 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.7 COCCCCB(O)O 6160-1-0F [1,0,0,0,0,0|2,0,1]=4 3 B8R0.7 NOCCCCC(=O)O 4121-9-01 [1,0,0,0,0,0|2,0,0]=3 4 B10R0.4 CCOCCOCCC(=O)O 2121-1-48 [0,1,0,0,0,0|1,0,0]=2 5 B10R0.22 O=P(O)(O)CCCCCCBr 6177-9-20 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.10 CCCN1CCCC(O)C1 4H56-1-0P4 [0,0,0,1,0,0|2,0,1]=4 7 B10R1.18 O=C(O)C=C1CCCCC1 2221-1-0C [0,0,0,1,0,0|0,0,2]=3 8 B10R1.18 O=C(O)CC1COCCN1 4H21-5-2K [0,0,0,1,0,0|2,0,0]=3 9 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O 4457-5-02 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O 4457-1-01 [0,0,0,1,0,0|1,0,2]=4 12 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O 4457-5-01 [0,0,0,1,0,0|1,0,2]=4 14 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-1-00 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.61 O=C(O)C1CCCCC1=O 2229-1-0J [0,0,0,1,0,0|1,0,1]=3 17 B10R1.66 NC(=O)COC1CCCC1 4248-1-31 [0,0,0,1,0,0|2,0,0]=3 18 B7R0.1 CCCCSCCO 6166-1-0L [2,0,0,0,0,0|1,0,0]=3 19 B7R0.4 O=C(O)CCCCO 2120-1-00 [2,0,0,0,0,0|1,0,0]=3 20 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [1,1,0,0,0,0|0,0,2]=4 21 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [1,1,0,0,0,0|0,0,2]=4 22 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [1,1,0,0,0,0|0,0,2]=4 23 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [1,1,0,0,0,0|1,0,0]=3 24 B11R0.4 C=CCCCCCC(=O)OCC 2324-1-21 [0,2,0,0,0,0|0,0,2]=4 25 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.8 CCC[C@@H]1CCCCN1 3H31-5-RD [1,0,0,1,0,0|1,0,1]=4 27 B9R1.8 CCC[C@H]1CCCCN1 3H31-5-SD [1,0,0,1,0,0|1,0,1]=4 28 B9R1.8 OCC[C@@H]1CCCCN1 4H56-1-S20 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.8 OCC[C@@H]1CCCCN1 4H56-5-SD [1,0,0,1,0,0|1,0,1]=4 30 B9R1.12 O=C\C=C\C1CCCC1 2315-1-0A [1,0,0,1,0,0|0,0,2]=4 31 B9R1.15 CCN1CCNCC1=O 4H48-1-00D [1,0,0,1,0,0|2,0,0]=4 32 B9R1.15 CN[C@@H]1CCCC[C@H]1O 4256-5-37 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.15 COC1COCCC1=O 2H17-1-84 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.50 NC1C=CCCCCC1 3430-1-01 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [1,0,0,1,0,0|2,0,0]=4 36 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [1,0,0,1,0,0|2,0,0]=4 40 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [1,0,0,1,0,0|2,0,0]=4 43 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [1,0,0,1,0,0|0,0,2]=4 44 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [1,0,0,1,0,0|1,0,0]=3 47 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O 2223-1-0L [0,1,0,1,0,0|1,0,1]=4 48 B11R1.86 CC1CNCCN1CC(=O)O 4H58-1-482 [0,1,0,1,0,0|1,0,0]=3 49 B11R1.86 O=C(O)CC1CCCCC1=O 2229-1-0L [0,1,0,1,0,0|0,0,1]=3 50 B11R1.91 NC(=O)COC1CCCCC1 4248-1-32 [0,1,0,1,0,0|1,0,0]=3 51 B11R1.91 O=C(O)CCC1CNCCN1 4H21-3-66 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.77 NC(CC(=O)O)C1CCCC1 4257-1-32 [0,1,0,1,0,0|0,0,0]=2 53 B11R1.40 COC(=O)C=C1CCCCC1 2323-1-0N [0,1,0,1,0,0|0,0,2]=4 54 B11R1.40 COC(=O)C[C@H]1CCCNC1 4H58-5-CC [0,1,0,1,0,0|1,0,0]=3 55 B11R1.222 COC(=O)C1CCCNC1C 4H23-1-8G [0,1,0,1,0,0|1,0,0]=3 56 B11R1.852 COC(=O)C1=CCCCCC1 2423-1-06 [0,1,0,1,0,0|0,0,2]=4 57 B11R1.35 NC(CC1CCCC1)C(=O)O 4257-1-25 [0,1,0,1,0,0|0,0,0]=2 58 B11R1.35 N[C@H](CC1CCCC1)C(=O)O 4257-1-R6 [0,1,0,1,0,0|0,0,0]=2 59 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 4257-1-S0 [0,1,0,1,0,0|0,0,0]=2 60 B11R1.177 C[C@@]1(N)CCCC[C@@H]1C(=O)O 4258-5-09 [0,1,0,1,0,0|0,0,0]=2 61 B11R2.1478 O=C1CCOC2(CCC2)C1 2H17-1-0F [0,0,0,2,0,0|2,0,0]=4 62 B11R2.1478 O=C1CNCC2(CCC2)N1 4H48-1-017 [0,0,0,2,0,0|2,0,0]=4 63 B11R2.1 O=C1NCC2CCNCC12 4H48-1-BK [0,0,0,2,0,0|2,0,0]=4 64 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 4H48-1-S6 [0,0,0,2,0,0|2,0,0]=4 65 B11R2.1 [C@H]12CCC(=O)N1CCNC2 4H48-1-R7 [0,0,0,2,0,0|2,0,0]=4 66 B11R2.703 O=C1CC2(CCCCC2)C1 2217-1-0H [0,0,0,2,0,0|1,0,0]=3 67 B11R2.703 O=C1CC2(CCCNC2)N1 4H48-1-015 [0,0,0,2,0,0|2,0,0]=4 68 B11R2.703 O=C1CC2(CCNCC2)N1 4H48-1-011 [0,0,0,2,0,0|2,0,0]=4 69 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 4H58-9-64 [0,0,0,2,0,0|1,0,0]=3 70 B11R2.845 [C@H]1(C(=O)O)C[C@H]2CCN1C2 4H33-5-1W [0,0,0,2,0,0|1,0,0]=3 71 B11R2.813 O=C(O)C12CNCCC1C2 4H33-5-1R [0,0,0,2,0,0|1,0,0]=3