0 B8R0.28 CN(C)CCCN(C)C 3132-1-X1 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 CC(C)CCN=C=S 7168-1-13 [1,0,0,0,0,0|1,1,1]=4 5 B7R0.4 CCCCCB(O)O 6160-1-07 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCNC(N)=S 7167-1-03 [1,0,0,0,0,0|2,1,0]=4 8 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [0,1,0,0,0,0|1,0,1]=3 15 B9R0.1 COC(=O)\C=C\CC(C)C 2323-1-X4 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.56 O=C(O)CCCC(F)(F)F 2121-3-55 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.35 CC(C)[C@@H]1COC(=O)N1 4H48-1-R4 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 4248-7-01 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,1,0,0|2,0,0]=3 25 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 4H56-1-7T [0,0,0,1,0,0|2,0,0]=3 30 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,0,0,0,1,0|2,0,1]=4 31 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,0,0,0,1,0|1,0,2]=4 32 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,0,0,0,1,0|1,0,0]=2 33 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,0,0,0,1,0|2,0,0]=3 34 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,0,0,0,1,0|1,0,0]=2 35 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,0,0,0,1,0|0,0,2]=3 36 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,0,0,0,1,0|1,0,0]=2 37 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [0,0,0,0,0,1|1,0,1]=3 38 B9R0.55 CN(C)CCCCC(=O)O 4133-5-02 [0,0,0,0,0,1|1,0,0]=2 39 B6R0.4 C#CCCC(=O)O 2521-1-02 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.4 CC(=O)CCCCl 2117-5-52 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CC(C)OCCO 2107-1-0H [2,0,0,0,0,0|1,0,0]=3 43 B6R0.4 CCC#CC(=O)O 2521-1-12 [2,0,0,0,0,0|0,0,2]=4 44 B6R0.4 CCCCB(O)O 6160-1-06 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.4 CCCCC(=O)O 2121-1-0C [2,0,0,0,0,0|0,0,0]=2 46 B6R0.4 CCCOC(C)=O 2123-1-32 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 CCOCC(=O)Cl 2116-5-0F [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CN(C)CCCBr 3132-9-03 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 CN(C)CCCCl 3132-5-X0 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CN(C)CCCO 4156-1-40 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.4 CNCCC(N)=O 4148-1-30 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 NCCCC(=O)O 4157-1-X2 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.6 C=CCCCCBr 1300-9-X5 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.6 C=CCCCCO 2301-1-06 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.6 CCCCCC=O 2115-1-X2 [2,0,0,0,0,0|0,0,0]=2 57 B6R0.6 CCCCCCCl 1100-5-29 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 CCCCCCF 1100-3-61 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 NCCCCCO 4156-1-0AT [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 NCCCCCO 4156-1-Z9 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 OCCCCCBr 2101-9-0A [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 OCCCCCCl 2101-5-04 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.5 CCOC(=O)CC(=O)O 2123-1-84 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.6 CCCCCC(O)CC 2102-1-11 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 CCCCCCC(=O)O 2121-1-14 [1,1,0,0,0,0|0,0,0]=2 69 B8R0.7 CCCCCC[C@H](C)O 2102-1-S1 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [1,1,0,0,0,0|1,0,0]=3 71 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [1,1,0,0,0,0|0,0,0]=2 72 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,1,0,0,1,0|0,0,0]=2 74 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,1,0,0,1,0|1,0,0]=3 75 B8R0.29 O=C(O)CCC(F)(F)F 2121-3-44 [0,1,0,0,1,0|2,0,0]=4 76 B10R0.3 CCOC(=O)CCNC(C)C 4158-5-08 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.44 COC(=O)CC(C)CC(=O)O 2123-1-0E [0,2,0,0,0,0|1,0,1]=4 78 B10R0.92 CP(=O)(O)CCC(N)C(=O)O 8174-1-00 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.92 NC(CCC(F)(F)F)C(=O)O 4157-3-13 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.31 CC(C)(C)OC(=O)CC(=O)O 2123-1-X0 [0,2,0,0,0,0|1,0,1]=4 81 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] 4133-1-X2 [0,2,0,0,0,0|1,0,1]=4 82 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [1,0,0,1,0,0|2,0,0]=4 84 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [1,0,0,1,0,0|2,0,0]=4 85 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [1,0,0,1,0,0|1,0,1]=4 89 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [1,0,0,1,0,0|2,0,0]=4 90 B8R1.4 NC1CCCC(O)C1 4256-1-02 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.4 OC1CCCC(O)C1 2204-1-03 [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|1,0,0]=3 94 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [1,0,0,1,0,0|2,0,0]=4 99 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,1,0,0|0,0,2]=4 100 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [1,0,0,1,0,0|0,0,2]=4 101 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.7 OB(O)C1CCCC1 6260-1-X0 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.22 O=C1CCCCCC1 2217-1-X7 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.22 O=C1CCCCCN1 4H17-1-3G [1,0,0,1,0,0|1,0,0]=3 113 B8R1.22 O=C1CCCCCO1 2225-1-01 [1,0,0,1,0,0|0,0,0]=2 114 B8R1.22 O=C1CCCNCC1 P612-A-68 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.22 O=C1CCNCCN1 4H17-1-01 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.22 OC1CCCCCC1 2202-1-X0 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [1,0,0,1,0,0|0,0,2]=4 120 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,0,0,1,1,0|2,0,0]=4 122 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,0,0,1,1,0|0,0,2]=4 123 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,0,0,1,1,0|1,0,0]=3 124 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,0,0,1,1,0|1,0,0]=3 125 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,0,0,1,1,0|1,0,1]=4 126 B8R1.77 O=C(O)C1CC1(F)Cl 2221-7-X0 [0,0,0,1,1,0|2,0,0]=4 127 B8R1.77 O=C(O)C1CC1(F)F 2221-3-X2 [0,0,0,1,1,0|2,0,0]=4 128 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,0,0,1,1,0|1,0,0]=3 129 B10R1.113 CC(=O)N1CCCC(O)C1 4H20-1-06 [0,0,0,1,0,1|2,0,0]=4 130 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,0,0,1,0,1|1,0,0]=3 131 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,0,0,1,0,1|1,0,0]=3 132 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,1,0,1,0,0|0,0,0]=2 133 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,1,0,1,0,0|1,0,0]=3 137 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.14 COC(=O)C1CCC(=O)C1 2229-1-X4 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-30 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 4H29-5-X3 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 4H29-5-X1 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 4H29-5-X2 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.329 CC1(C)CC(=O)CC(=O)C1 2218-1-X1 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.329 CC1(C)OC(=O)CC(=O)O1 2H08-1-X1 [0,1,0,1,0,0|1,0,1]=4 146 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,0,0,0,2,0|1,0,0]=3 147 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,0,0,0,2,0|0,0,2]=4 148 B6R0.2 CC(C)CB(O)O 6160-1-X3 [0,0,0,0,2,0|1,0,1]=4 149 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,0,0,0,2,0|1,0,0]=3 150 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,0,0,0,2,0|1,0,1]=4 151 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,0,0,0,2,0|1,0,0]=3