0 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,0,0,0,0,0|1,0,1]=3 1 B7R0.4 CCCCCB(O)O 6160-1-07 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,0,0,0,0,0|0,0,0]=1 10 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,0,0,0,0,0|1,1,0]=3 11 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,0,0,0,0,0|0,1,0]=2 12 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,0,0,0,0,0|0,1,0]=2 13 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.8 CCCCC(N)C(=O)OC 4157-5-03 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.8 COC(=O)C(Br)CCCBr 2123-9-X1 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.8 COC(=O)C(N)CCSC 8166-5-03 [0,1,0,0,0,0|0,0,0]=1 17 B9R0.13 CCCCC(CC)C(=O)[O-] 2122-1-13 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.42 COC(=O)C[C@H](N)C(=O)O 4157-5-S2 [0,1,0,0,0,0|0,1,1]=3 19 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-S6 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-X0 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.51 CCCCC(C)(C)C(=O)O 2121-1-11 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.51 CCCCC(F)(F)C(=O)O 2121-3-96 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.51 CCCCC(F)(F)C(=O)[O-] 2122-3-56 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.6 CC(=O)C1CCOCC1 2H17-1-Y6 [0,0,0,1,0,0|2,1,0]=4 25 B9R1.6 NC(=O)C1CCNCC1 4H48-1-D8 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.6 NC(=O)C1CCOCC1 4H48-1-H1 [0,0,0,1,0,0|2,1,0]=4 27 B9R1.6 O=C(Cl)C1CCCCC1 2216-5-06 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 O=C(Cl)C1CCOCC1 P311-A-24 [0,0,0,1,0,0|2,1,0]=4 29 B9R1.6 O=C(O)C1=CCCCC1 2421-1-0A [0,0,0,1,0,0|2,0,1]=4 30 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,0,0,1,0,0|1,0,0]=2 33 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 O=C(O)C1CCNCC1 4257-1-14 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.6 O=C(O)C1CCOCC1 P911-A-47 [0,0,0,1,0,0|1,1,0]=3 36 B9R1.6 O=C(O)C1CNCCO1 4H58-5-8Y [0,0,0,1,0,0|3,0,0]=4 37 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.6 O=C(O)[C@@H]1CCCNC1 4H21-1-XV [0,0,0,1,0,0|3,0,0]=4 40 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,0,0,1,0,0|1,0,0]=2 44 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.6 O=C(O)[C@H]1CNCCO1 4H58-5-RA [0,0,0,1,0,0|3,0,0]=4 46 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,0,0,1,0,0|2,0,0]=3 49 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [0,0,0,1,0,0|3,0,0]=4 52 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-5-S3 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H57-5-R3 [0,0,0,1,0,0|3,0,0]=4 55 B6R0.1 CCCC(O)CO 2104-1-0A [2,0,0,0,0,0|1,0,1]=4 56 B6R0.4 C#CCCC(=O)O 2521-1-02 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.4 CC(=O)CCCCl 2117-5-52 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.4 CCC#CC(=O)O 2521-1-12 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.4 CCCCB(O)O 6160-1-06 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CCCCC(=O)O 2121-1-0C [2,0,0,0,0,0|0,0,0]=2 61 B6R0.4 CCCOC(C)=O 2123-1-32 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CCOCC(=O)Cl 2116-5-0F [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CNCCC(N)=O 4148-1-30 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 NCCCC(=O)O 4157-1-X2 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.6 CCCCCC=O 2115-1-X2 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 CCC(N)C(=O)O 4157-1-16 [2,0,0,0,0,0|0,0,0]=2 68 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [2,0,0,0,0,0|1,0,0]=3 69 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.3 NCC(F)C(=O)O 4157-3-02 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [2,0,0,0,0,0|0,0,0]=2 72 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [2,0,0,0,0,0|0,0,0]=2 73 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [2,0,0,0,0,0|0,0,0]=2 74 B8R0.7 CCCCCCC(=O)O 2121-1-14 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [1,1,0,0,0,0|0,0,0]=2 78 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [1,1,0,0,0,0|0,1,0]=3 80 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [1,1,0,0,0,0|1,0,0]=3 81 B10R0.92 CP(=O)(O)CCC(N)C(=O)O 8174-1-00 [0,2,0,0,0,0|1,0,0]=3 82 B10R0.92 NC(CCC(F)(F)F)C(=O)O 4157-3-13 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.93 NC(CC(F)C(=O)O)C(=O)O 4157-3-08 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.83 COC(=O)[C@@H](N)CCCCN 4158-5-S01 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 O=CC1CCOCC1 P311-A-93 [1,0,0,1,0,0|1,1,0]=4 87 B8R1.5 CC1CCCCC1=O 2217-1-1E [1,0,0,1,0,0|2,0,0]=4 88 B8R1.5 NC1CCCCC1O 4256-1-X3 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.5 NC1CCCNC1=O 4H48-1-3C [1,0,0,1,0,0|2,0,0]=4 90 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [1,0,0,1,0,0|2,0,0]=4 94 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [1,0,0,1,0,0|1,1,0]=4 96 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,1,0,0|0,1,0]=3 99 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [1,0,0,1,0,0|1,1,0]=4 107 B8R1.78 CC1(C(=O)O)COC1 2H21-1-42 [1,0,0,1,0,0|1,1,0]=4 108 B10R1.18 O=C(O)CC1CCCCC1 2221-1-18 [0,0,0,1,0,1|2,0,0]=4 109 B10R1.18 O=C(O)CC1CCNCC1 4H21-1-92 [0,0,0,1,0,1|2,0,0]=4 110 B10R1.18 O=C(O)CC1CCOCC1 2H21-1-Z2 [0,0,0,1,0,1|1,1,0]=4 111 B10R1.23 N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,1,0,1,0,0|2,0,0]=4 113 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 4H58-1-BE [0,1,0,1,0,0|2,0,0]=4 120 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 4H58-1-FM [0,1,0,1,0,0|2,0,0]=4 121 B10R1.15 COC(=O)C1CCNCC1 4H58-1-0B [0,1,0,1,0,0|2,0,0]=4 122 B10R1.15 COC(=O)C1CCOCC1 2H23-1-X3 [0,1,0,1,0,0|1,1,0]=4 123 B10R1.348 O=C(O)C1CCCCCC1 2221-1-X8 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.363 CC1(C(=O)O)CCCCC1 2221-1-X0 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-1-BF [0,1,0,1,0,0|2,0,0]=4 129 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-5-94 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.363 NC1(C(=O)O)CCCCC1 4257-1-17 [0,1,0,1,0,0|1,0,0]=3 131 B10R1.363 O=C(O)C1(O)CCCCC1 2229-1-0U [0,1,0,1,0,0|2,0,0]=4