0 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,0,0,0,0,0|0,0,2]=3 2 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 N=C(N)NCC(=O)O 4156-1-60 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 O=C(O)CCC(=O)C(=O)O 2129-1-00 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 O=C(O)CCC(F)=C(F)F 2321-3-05 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,1,0,0|2,0,1]=4 18 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [0,0,0,1,0,0|2,0,0]=3 19 B6R0.4 C#CCCC(=O)O 2521-1-02 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.4 C=CCOC(C)=O 2324-1-08 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CC(=O)CCCCl 2117-5-52 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CCCCC(=O)O 2121-1-0C [2,0,0,0,0,0|0,0,1]=3 25 B6R0.4 NCCCC(=O)O 4157-1-X2 [2,0,0,0,0,0|0,0,0]=2 26 B6R0.4 NCCNC(N)=O 4153-5-07 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.6 C=CCCCCBr 1300-9-X5 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.6 C=CCCCCO 2301-1-06 [2,0,0,0,0,0|0,0,1]=3 30 B6R0.6 CCCCCC=O 2115-1-X2 [2,0,0,0,0,0|0,0,2]=4 31 B8R0.7 CCCCCCC(=O)O 2121-1-14 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [1,1,0,0,0,0|1,0,1]=4 36 B8R0.29 O=C(O)CCC(F)(F)F 2121-3-44 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.43 CC(C)(CCC(=O)O)C(=O)O 2121-1-X6 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.92 CP(=O)(O)CCC(N)C(=O)O 8174-1-00 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.93 NC(CC(F)C(=O)O)C(=O)O 4157-3-08 [0,2,0,0,0,0|1,0,0]=3 40 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [1,0,0,1,0,0|0,0,0]=2 41 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [1,0,0,1,0,0|1,0,1]=4 42 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.4 O=C1CSCC(=O)O1 6H66-1-00 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,1,0,0|0,0,2]=4 46 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.77 O=C(O)C1CC1(F)Cl 2221-7-X0 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.77 O=C(O)C1CC1(F)F 2221-3-X2 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,0,0,1,0,1|0,0,2]=4 61 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,0,0,1,0,1|0,0,2]=4 62 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,1,0,1,0,0|0,0,2]=4 63 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,0,0,0,2,0|0,0,2]=4 64 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,0,0,0,2,0|1,0,1]=4 65 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,0,0,0,2,0|0,0,2]=4 66 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,0,0,0,2,0|0,0,2]=4