0 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,0,0,0,0,0|1,0,0]=2 6 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.7 CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,0,0,1,0,0|2,0,0]=3 15 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,1,0,0|1,0,0]=2 18 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 4457-1-03 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,0,0,1,0,0|1,0,1]=3 21 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,0,0,1,0,0|1,0,0]=2 33 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,0,0,1,0,0|1,0,0]=2 34 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [0,0,0,1,0,0|1,0,0]=2 35 B6R0.3 CCC(F)C(=O)O 2121-3-0L [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 NC(CF)C(=O)O 4157-3-01 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [1,1,0,0,0,0|1,0,1]=4 38 B8R0.25 CCCCC(C)(C)C#N 3137-1-0N [1,1,0,0,0,0|1,0,1]=4 39 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|0,0,0]=2 40 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [1,1,0,0,0,0|0,0,1]=3 42 B8R0.7 COCCCCB(O)O 6160-1-0F [1,1,0,0,0,0|1,0,1]=4 43 B8R0.7 NOCCCCC(=O)O 4121-9-01 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.21 COCCCS(=O)(=O)O 6164-1-20 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.21 O=P(O)(O)CCCCBr 6177-9-19 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [1,1,0,0,0,0|1,0,0]=3 47 B8R0.12 CC(C)(CCCl)C(=O)Cl 2116-5-25 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.133 CCCC[C@@](N)(CC)C(=O)O 4157-1-SD [0,2,0,0,0,0|0,0,0]=2 51 B8R1.1 CN1CC[C@@H](CO)C1 4H56-1-RZ [1,0,0,1,0,0|1,0,1]=4 52 B8R1.2 COC1CCCCC1 2207-1-07 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 OCC1CCCNC1 4H56-1-910 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.5 CC1COCCC1=O 2H17-1-79 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.22 CC1CCCCCN1 3H31-1-F4 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.38 NC(CO)C1CCC1 4256-5-57 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.38 N[C@@H](CO)C1CCC1 4256-5-R1 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.38 N[C@H](CO)C1CCC1 4256-5-S1 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.52 CC1(CO)CCNC1 4H01-1-76 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.52 C[C@]1(CO)CCCN1 4H56-5-A4 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [1,0,0,1,0,0|2,0,0]=4 64 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [1,0,0,1,0,0|1,0,0]=3 72 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [1,0,0,1,0,0|1,0,0]=3 74 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [1,0,0,1,0,0|2,0,0]=4 75 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [1,0,0,1,0,0|0,0,0]=2 76 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [1,0,0,1,0,0|1,0,0]=3 85 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [1,0,0,1,0,0|2,0,0]=4 86 B10R1.18 O=C(O)C=C1CCCCC1 2221-1-0C [0,0,0,1,0,1|0,0,1]=3 87 B10R1.18 O=C(O)CC1COCCN1 4H21-5-2K [0,0,0,1,0,1|2,0,0]=4 88 B10R1.54 CN1CCC(CC(=O)O)C1 4H21-5-2L [0,0,0,1,0,1|1,0,0]=3 89 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [0,0,0,1,0,1|2,0,0]=4 90 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,0,0,1,0,1|1,0,0]=3 91 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,0,0,1,0,1|1,0,0]=3 92 B10R1.61 O=C(O)C1CCCCC1=O 2229-1-0J [0,0,0,1,0,1|1,0,1]=4 93 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O 4H21-1-SB [0,0,0,1,0,1|1,0,0]=3 94 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.275 CC1CCCCN(C)C1=O 4H48-1-03D [0,1,0,1,0,0|1,0,0]=3 98 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [0,1,0,1,0,0|0,0,1]=3 99 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [0,1,0,1,0,0|1,0,0]=3 101 B10R1.13 O=C1CCC(C(=O)Cl)CC1 2216-5-02 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.349 CN(C)C1CC(C(=O)O)C1 4257-1-0H [0,1,0,1,0,0|1,0,0]=3 103 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 2229-1-R0 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-11 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 2229-1-S0 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 4233-5-05 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.15 CNC(=O)C1CCCNC1 4H48-1-VU [0,1,0,1,0,0|2,0,0]=4 108 B10R1.15 COC(=O)N1CCOCC1 4H56-1-0H8 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.15 COC(=O)[C@@H]1CNCCO1 4H58-5-BJ [0,1,0,1,0,0|2,0,0]=4 110 B10R1.15 COC(=O)[C@@H]1COCCN1 4H58-5-S6 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.15 COC(=O)[C@H]1CNCCO1 4H58-5-BH [0,1,0,1,0,0|2,0,0]=4 112 B10R1.15 COC(=O)[C@H]1COCCN1 4H58-5-R6 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.15 N[C@H](CO)C1CCCCC1 4256-1-37 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.169 COC(=O)C1CC(CN)C1 4258-5-13 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.176 CN1CCC(CO)CC1=O 4H56-1-098 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.184 COC(=O)[C@H](O)CC1CC1 2229-1-R3 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.411 COC(=O)C1(N)CCCC1 4258-5-16 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.437 COCCC1(C(=O)O)CC1 2221-1-57 [0,1,0,1,0,0|1,0,0]=3 119 B10R1.477 CNC1(C(=O)O)CCOC1 4H58-1-13 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,1,0,1,0,0|0,0,0]=2 121 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,1,0,1,0,0|0,0,1]=3 122 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,1,0,1,0,0|0,0,0]=2 123 B10R1.204 C[C@H](NC1CCC1)C(=O)O 4258-1-49 [0,1,0,1,0,0|0,0,0]=2 124 B10R1.204 NC(CC1CCC1)C(=O)O 4257-1-24 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.408 COC(=O)C1CC1C(=O)O 2223-1-1A [0,1,0,1,0,0|1,0,1]=4 126 B10R1.363 CC(=O)C1(C)CCOCC1 2H17-1-87 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [0,1,0,1,0,0|0,0,0]=2 128 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [0,1,0,1,0,0|0,0,0]=2 129 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [0,1,0,1,0,0|1,0,0]=3 130 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]=3 131 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