0 B11R1.20 CC(=O)NC1CCC(=O)CC1 4248-1-0A [0,0,0,0,0,0|0,0,0]=0 1 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 4248-1-03 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.20 CC(=O)OC1CCC(=O)CC1 2223-1-0F [0,0,0,0,0,0|1,0,0]=1 3 B11R1.20 CC(C)CN1CCC(=O)CC1 4H17-1-64 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.20 CC1CCC(CC(=O)O)CC1 2721-1-4B [0,0,0,0,0,0|3,0,1]=4 5 B11R1.20 O=C(O)CC1CCC(O)CC1 2229-1-79 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 2229-1-08 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.20 O=C(O)C[C@H]1CC[C@H](O)CC1 2229-1-78 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.1 CCCN1CCC(=O)CC1 4H56-1-XD [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 CCNC1CCN(C)CC1 3H31-1-CK [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 CN1CCC(CC=O)CC1 4H15-1-38 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 CC(=O)N[C@H]1CCCNC1 4H48-4-S1 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.18 NC(=O)CC1CCOCC1 4H48-1-3S [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 NC(=O)NC1CCCCC1 4253-1-02 [1,0,0,0,0,0|1,0,1]=3 14 B12R1.49 COC(=O)CC1CCC(=O)CC1 2229-1-0G [0,1,0,0,0,0|1,0,0]=2 15 B12R1.49 COC(=O)CC1CCN(C)CC1 4H23-1-CV [0,1,0,0,0,0|3,0,0]=4 16 B12R1.106 CS(=O)(=O)OC1CCC(=O)CC1 6263-1-01 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 6H63-1-12 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.96 CC(=O)OCC(C)OC(C)=O 2123-1-83 [0,0,1,0,0,0|2,0,0]=3 19 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O 2121-1-X8 [0,0,1,0,0,0|3,0,0]=4 20 B10R1.13 C=C1CCN(C(C)=O)CC1 4H17-1-1V [0,0,0,0,1,0|2,0,0]=3 21 B10R1.13 CC(C)C1CCC(=O)CC1 2217-1-13 [0,0,0,0,1,0|1,0,1]=3 22 B10R1.13 CC(C)N1CCC(=O)CC1 4H17-1-24 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.13 CN(C)C1CCC(=O)CC1 4256-1-84 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.13 NC1CCC(C(=O)O)CC1 4257-5-0B [0,0,0,0,1,0|2,0,1]=4 25 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 4257-5-X0 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.13 O=C(O)C1CCC(Cl)CC1 2221-5-00 [0,0,0,0,1,0|2,0,1]=4 27 B10R1.13 O=C(O)C1CCC(O)CC1 2221-1-1M [0,0,0,0,1,0|1,0,2]=4 28 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 2229-1-1G [0,0,0,0,1,0|1,0,2]=4 29 B10R1.13 O=C1CCC(C(=O)O)CN1 4H58-1-A5 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.54 O=C(O)CC1CCC(=O)O1 2H21-1-09 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 4254-1-04 [0,0,0,0,1,0|3,0,0]=4 32 B9R0.2 CC\C=C/CCOC(C)=O 2323-1-Z0 [1,0,1,0,0,0|1,0,1]=4 33 B9R0.46 CCCCCCC(=O)CC 2117-1-08 [1,0,1,0,0,0|1,0,1]=4 34 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [1,0,1,0,0,0|1,0,0]=3 35 B9R0.55 CC(=O)NCCNC(C)=O 4148-1-27 [1,0,1,0,0,0|1,0,0]=3 36 B9R0.55 CC(=O)NCCOC(C)=O 4158-1-27 [1,0,1,0,0,0|1,0,0]=3 37 B9R1.1 CN1CCC(C=O)CC1 4H15-1-4A [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 CNC1CCC(=O)CC1 4233-5-02 [2,0,0,0,0,0|0,0,0]=2 39 B9R1.1 CNC1CCC(C)CC1 3231-1-0E [2,0,0,0,0,0|1,0,1]=4 40 B9R1.1 CNC1CCC(N)CC1 3231-1-05 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.1 CNC1CCC(O)CC1 4231-1-00 [2,0,0,0,0,0|0,0,2]=4 42 B9R1.1 COC1CCC(=O)CC1 2217-1-0A [2,0,0,0,0,0|1,0,0]=3 43 B9R1.1 N#CC1CCC(=O)CC1 4237-1-0K [2,0,0,0,0,0|1,0,1]=4 44 B9R1.1 O=C1CCC(CO)CC1 P311-A-79 [2,0,0,0,0,0|0,0,2]=4 45 B9R1.1 O=CC1CCC(=O)CC1 2217-1-0T [2,0,0,0,0,0|0,0,0]=2 46 B9R1.8 O=CCC1CCOCC1 2H15-1-0V [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 O=CNC1CCCCC1 4248-1-0L [2,0,0,0,0,0|0,0,1]=3 48 B11R0.106 COC(=O)CCCCC(=O)OC 2123-1-89 [0,1,1,0,0,0|2,0,0]=4 49 B11R0.106 O=C(CCl)NCCNC(=O)CCl 4148-5-13 [0,1,1,0,0,0|2,0,0]=4 50 B11R0.176 C=C(C)CCCCC(=O)OCC 2324-1-19 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.22 COC(=O)C1CCC(=O)CC1 2229-1-1B [1,1,0,0,0,0|2,0,0]=4 52 B11R1.40 CCC(=O)N[C@H]1CCCNC1 4H48-5-S1 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.40 CCC(=O)OC1CCCCC1 2223-1-0W [1,1,0,0,0,0|1,0,1]=4 54 B11R1.40 COC(=O)CC1CCOCC1 2H23-1-1G [1,1,0,0,0,0|2,0,0]=4 55 B11R1.40 O=C(CBr)OC1CCCCC1 2223-9-08 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.40 O=C(CCl)OC1CCCCC1 2223-5-01 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.86 CC(=O)OC1CCCCC1C 2223-1-0Z [1,1,0,0,0,0|1,0,1]=4 58 B11R1.3 CC(=O)N1CCC(C=O)CC1 4H48-1-VB [0,1,0,0,1,0|1,0,1]=4 59 B11R1.3 O=CN1CCC(C(=O)O)CC1 4H58-1-E7 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.19 CC(C)(C)C1CCC(=O)CC1 2217-1-0Q [0,1,0,0,1,0|1,0,1]=4 61 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 6H63-1-10 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O 4H58-1-SH [0,1,0,0,1,0|1,0,1]=4 63 B13R1.2680 COC(=O)CC1CCS(=O)(=O)CC1 6H63-1-11 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.23 COC(=O)C1CCCC(=O)C1 2223-1-0J [0,0,1,1,0,0|2,0,0]=4 65 B11R1.23 COC(=O)C1CCNC(=O)C1 4H48-1-58 [0,0,1,1,0,0|1,0,0]=3 66 B11R2.34 O=C1CCC(C2CC2)CC1 2717-1-Z5 [1,0,0,1,0,0|1,0,1]=4 67 B11R2.116 N[C@@H]1CC[C@@H]2C[C@H]1C(=O)N2 4H48-1-QS [1,0,0,1,0,0|1,0,1]=4 68 B11R2.116 N[C@H]1CC[C@@H]2C[C@H]1C(=O)N2 4H48-1-QT [1,0,0,1,0,0|1,0,1]=4 69 B11R2.742 O=C1CCC2(CC1)COC2 2H17-1-78 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.703 O=C1CC2(CCNCC2)C1 4H56-5-BB [1,0,0,1,0,0|2,0,0]=4 71 B11R2.139 C12CC(=O)CC1CC(=O)C2 2218-1-04 [0,0,0,1,1,0|1,0,0]=3 72 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [0,0,1,0,1,0|2,0,0]=4 73 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [0,0,1,0,1,0|2,0,0]=4 74 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,0,1,0,1,0|2,0,0]=4 75 B9R0.7 CC(=O)SCC(C)C(N)=O 8169-1-09 [0,0,1,0,1,0|2,0,0]=4 76 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,0,1,0,1,0|2,0,0]=4 77 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,0,1,0,1,0|2,0,0]=4 78 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,0,1,0,1,0|2,0,0]=4 79 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,0,1,0,1,0|2,0,0]=4 80 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [1,0,0,0,1,0|0,0,1]=3 81 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [1,0,0,0,1,0|1,0,1]=4 82 B9R1.6 CC(=O)C1CCCNC1 4H17-5-3L [1,0,0,0,1,0|1,0,1]=4 83 B9R1.6 CC(=O)C1CCNCC1 4H17-5-3M [1,0,0,0,1,0|1,0,0]=3 84 B9R1.6 CC(=O)N1CCCCC1 4H48-1-0A1 [1,0,0,0,1,0|1,0,1]=4 85 B9R1.6 CC(=O)N1CCOCC1 4H48-1-JK [1,0,0,0,1,0|2,0,0]=4 86 B9R1.6 NC(=O)C1CCCCC1 4248-1-X2 [1,0,0,0,1,0|1,0,1]=4 87 B9R1.6 O=C(Cl)C1CC=CCC1 2416-5-00 [1,0,0,0,1,0|1,0,1]=4 88 B9R1.6 O=C(O)C1CCCCC1 2221-1-22 [1,0,0,0,1,0|1,0,1]=4 89 B9R1.6 O=C(O)C1CCNCC1 4H21-5-66 [1,0,0,0,1,0|2,0,0]=4 90 B9R1.6 O=C(O)C1CCSCC1 6H21-1-Y0 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [1,0,0,0,1,0|0,0,0]=2 92 B9R1.13 CC(=O)N[C@@H]1CCNC1 4H48-1-R3 [1,0,0,0,1,0|1,0,0]=3 93 B9R1.13 CC(=O)N[C@H]1CCNC1 4H48-1-S4 [1,0,0,0,1,0|1,0,0]=3 94 B9R1.13 NC(=S)NC1CCCC1 7167-1-31 [1,0,0,0,1,0|1,1,0]=4 95 B9R1.35 CC(=O)C1CCC(=O)O1 2H25-1-36 [0,0,0,0,2,0|1,0,0]=3 96 B9R1.35 NC(=O)C1CNC(=O)C1 4H48-1-00Y [0,0,0,0,2,0|2,0,0]=4 97 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,0,2,0|1,0,0]=3 98 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,0,0,0,2,0|2,0,0]=4 99 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,0,2,0|2,0,0]=4 100 B9R1.53 CC(=O)OC1CC(=O)C1 2H29-1-32 [0,0,0,0,2,0|1,0,0]=3 101 B11R1.91 CC(=O)OCC1CCCCC1 2223-1-0V [1,0,0,0,0,1|1,0,1]=4