0 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [0,1,0,0,0,0|1,0,1]=3 7 B9R0.7 CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,0,0,1,0,0|3,0,0]=4 13 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,0,0,1,0,0|1,1,1]=4 14 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 O=C1CCC(C(=O)Cl)N1 4H48-5-DJ [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,0,0,1,0,0|1,1,0]=3 21 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,0,0,1,0,0|1,1,0]=3 22 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,0,0,1,0,0|0,1,0]=2 25 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,0,0,1,0,0|0,1,0]=2 27 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [0,0,0,1,0,0|1,1,0]=3 32 B6R0.3 CCC(F)C(=O)O 2121-3-0L [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 NC(CF)C(=O)O 4157-3-01 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.7 NOCCCCC(=O)O 4121-9-01 [1,1,0,0,0,0|1,1,0]=4 37 B8R0.21 COCCCS(=O)(=O)O 6164-1-20 [1,1,0,0,0,0|1,1,0]=4 38 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [1,1,0,0,0,0|0,0,0]=2 39 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [1,1,0,0,0,0|0,0,1]=3 41 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 4158-5-SX [0,2,0,0,0,0|2,0,0]=4 42 B10R0.92 NC(CCP(=O)(O)O)C(=O)O 8177-1-37 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.133 CCCC[C@@](N)(CC)C(=O)O 4157-1-SD [0,2,0,0,0,0|1,0,0]=3 44 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [1,0,0,1,0,0|0,1,1]=4 46 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [1,0,0,1,0,0|0,1,1]=4 47 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [1,0,0,1,0,0|0,1,1]=4 48 B8R1.38 NC(CO)C1CCC1 4256-5-57 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.38 N[C@@H](CO)C1CCC1 4256-5-R1 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.38 N[C@H](CO)C1CCC1 4256-5-S1 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.52 NC1(CO)CCOC1 4H56-1-810 [1,0,0,1,0,0|0,1,1]=4 52 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [1,0,0,1,0,0|0,1,0]=3 54 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [1,0,0,1,0,0|2,0,0]=4 57 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [1,0,0,1,0,0|1,0,0]=3 58 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [1,0,0,1,0,0|1,1,0]=4 65 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [1,0,0,1,0,0|0,0,0]=2 66 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [1,0,0,1,0,0|0,0,0]=2 67 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [1,0,0,1,0,0|2,0,0]=4 68 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [1,0,0,1,0,0|2,0,0]=4 69 B10R1.18 O=C(O)CC1COCCN1 4H21-5-2K [0,0,0,1,0,1|2,0,0]=4 70 B10R1.54 CN1CCC(CC(=O)O)C1 4H21-5-2L [0,0,0,1,0,1|2,0,0]=4 71 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 4H48-1-SN [0,0,0,1,0,1|2,0,0]=4 72 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [0,0,0,1,0,1|2,0,0]=4 73 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O 4457-1-01 [0,0,0,1,0,1|1,0,1]=4 74 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,0,0,1,0,1|1,0,0]=3 75 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-1-00 [0,0,0,1,0,1|1,0,1]=4 76 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,0,0,1,0,1|1,0,0]=3 77 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,1,0,1,0,0|1,0,0]=3 79 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [0,1,0,1,0,0|1,0,0]=3 82 B10R1.349 CN(C)C1CC(C(=O)O)C1 4257-1-0H [0,1,0,1,0,0|2,0,0]=4 83 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 8H69-1-8C [0,1,0,1,0,0|1,0,1]=4 84 B10R1.15 COC(=O)[C@@H]1COCCN1 4H58-5-S6 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.15 COC(=O)[C@H]1COCCN1 4H58-5-R6 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.184 COC(=O)[C@H](O)CC1CC1 2229-1-R3 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.411 COC(=O)C1(N)CCCC1 4258-5-16 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.437 COCCC1(C(=O)O)CC1 2221-1-57 [0,1,0,1,0,0|1,1,0]=4 89 B10R1.477 CNC1(C(=O)O)CCOC1 4H58-1-13 [0,1,0,1,0,0|0,1,0]=3 90 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.204 C[C@H](NC1CCC1)C(=O)O 4258-1-49 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.204 NC(CC1CCC1)C(=O)O 4257-1-24 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [0,1,0,1,0,0|1,0,0]=3 95 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [0,1,0,1,0,0|1,0,0]=3 96 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [0,1,0,1,0,0|0,0,0]=2 97 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,2,0,0|1,0,0]=3 98 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,2,0,0|1,0,0]=3