0 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [1,0,0,0,0,0|1,0,1]=3 6 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [1,0,0,0,0,0|1,0,1]=3 7 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.11 CNC(=O)C1CCNC1 4H48-5-FZ [0,1,0,0,0,0|3,0,0]=4 9 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,1,0,0,0,0|1,0,0]=2 10 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,1,0,0,0,0|2,0,0]=3 12 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 4457-1-03 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.35 O=C1CCC(C(=O)Cl)N1 4H48-5-DJ [0,1,0,0,0,0|1,0,1]=3 15 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,1,0,0,0,0|1,0,1]=3 16 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,1,0,0,0,0|0,0,0]=1 20 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,0,1,0,0,0|1,0,0]=2 23 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,0,1,0,0,0|2,0,0]=3 25 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,0,1,0,0,0|2,0,0]=3 26 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.18 CC(N)C1CCC1 3230-5-0B [0,0,0,0,1,0|2,0,1]=4 28 B7R1.18 CC(O)C1CNC1 4H02-5-0E [0,0,0,0,1,0|2,0,1]=4 29 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,0,1,0|1,0,0]=2 30 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,0,1,0|1,0,0]=2 31 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,0,1,0|1,0,0]=2 32 B9R1.6 CC(C)C1COCCN1 4H56-1-308 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,0,0,0,0,1|2,0,0]=3 34 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,0,0,0,0,1|1,0,1]=3 35 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,0,0,0,0,1|1,0,0]=2 36 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,0,1,0,0,0|1,0,0]=3 37 B6R0.3 NC(CF)C(=O)O 4157-3-01 [1,0,1,0,0,0|1,0,0]=3 38 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [2,0,0,0,0,0|0,0,1]=3 39 B6R1.2 O=C1CCNN1 4H48-5-FV [2,0,0,0,0,0|1,0,1]=4 40 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,1,0,0,0|1,0,0]=3 41 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,1,1,0,0,0|1,0,0]=3 42 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,1,1,0,0,0|2,0,0]=4 43 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,1,1,0,0,0|2,0,0]=4 44 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,1,1,0,0,0|1,0,1]=4 45 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,1,1,0,0,0|0,0,0]=2 46 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,1,1,0,0,0|1,0,1]=4 47 B8R0.21 O=P(O)(O)CCCCBr 6177-9-19 [0,1,1,0,0,0|2,0,0]=4 48 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,1,0,0,0|0,0,0]=2 49 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [0,1,1,0,0,0|0,0,2]=4 50 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,1,1,0,0,0|1,0,0]=3 51 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,1,1,0,0,0|0,0,0]=2 52 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [0,1,1,0,0,0|2,0,0]=4 53 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,1,1,0,0,0|0,0,1]=3 54 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,1,1,0,0,0|1,0,1]=4 55 B8R1.8 OCCC1CCCC1 2201-1-0D [1,1,0,0,0,0|1,0,1]=4 56 B8R1.52 C[C@]1(CO)CCCN1 4H56-5-A4 [1,1,0,0,0,0|0,0,1]=3 57 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,1,0,0,1,0|1,0,0]=3 58 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,1,0,0,1,0|0,0,0]=2 59 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,1,0,0,1,0|0,0,0]=2 60 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,0,1,0|0,0,0]=2 61 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,1,0,0,1,0|0,0,0]=2 62 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,1,0,0,1,0|0,0,0]=2 63 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,1,0,0,1,0|0,0,0]=2 64 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,0,1,0|0,0,0]=2 65 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,1,0,0,1,0|0,0,0]=2 66 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,1,0,0,1,0|0,0,0]=2 67 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,1,0,0,1,0|0,0,0]=2 68 B8R1.38 NC(CO)C1CCC1 4256-5-57 [0,1,0,0,1,0|1,0,1]=4 69 B8R1.38 N[C@@H](CO)C1CCC1 4256-5-R1 [0,1,0,0,1,0|1,0,1]=4 70 B8R1.38 N[C@H](CO)C1CCC1 4256-5-S1 [0,1,0,0,1,0|1,0,1]=4 71 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [0,1,0,0,1,0|1,0,0]=3 72 B8R1.55 CC(C)(O)C1CCN1 4H03-5-09 [0,1,0,0,1,0|1,0,1]=4 73 B8R1.55 CC(C)(O)[C@@H]1CCN1 4H03-5-S0 [0,1,0,0,1,0|1,0,1]=4 74 B8R1.55 CC(C)(O)[C@H]1CCN1 4H03-5-R0 [0,1,0,0,1,0|1,0,1]=4 75 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,0,1,0|1,0,0]=3 76 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [0,1,0,0,1,0|1,0,0]=3 77 B8R1.78 O=[N+]([O-])C1(Br)CCC1 4254-9-00 [0,1,0,0,1,0|1,0,1]=4 78 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [0,1,0,0,0,1|1,0,1]=4 79 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [0,1,0,0,0,1|0,0,0]=2 81 B10R1.13 O=C1CCC(C(=O)Cl)CC1 2216-5-02 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.15 CNC(=O)C1CCCNC1 4H48-1-VU [0,1,0,0,0,1|1,0,0]=3 83 B10R1.15 COC(=O)C1=CCOCC1 2H23-1-62 [0,1,0,0,0,1|1,0,1]=4 84 B10R1.15 COC(=O)C1=CNCCC1 4H58-1-488 [0,1,0,0,0,1|0,0,1]=3 85 B10R1.15 COC(=O)N1CCOCC1 4H56-1-0H8 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.15 COC(=O)[C@@H]1CNCCO1 4H58-5-BJ [0,1,0,0,0,1|1,0,0]=3 87 B10R1.15 COC(=O)[C@@H]1COCCN1 4H58-5-S6 [0,1,0,0,0,1|0,0,0]=2 88 B10R1.15 COC(=O)[C@H]1CNCCO1 4H58-5-BH [0,1,0,0,0,1|1,0,0]=3 89 B10R1.15 COC(=O)[C@H]1COCCN1 4H58-5-R6 [0,1,0,0,0,1|0,0,0]=2 90 B10R1.61 NC(=O)C1CNCCC1=O 4H48-1-B2 [0,1,0,0,0,1|1,0,1]=4 91 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O 4457-5-02 [0,1,0,0,0,1|1,0,1]=4 93 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O 4457-1-01 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O 4457-5-01 [0,1,0,0,0,1|1,0,1]=4 96 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-1-00 [0,1,0,0,0,1|1,0,1]=4 97 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.61 O=C(O)C1CCCCC1=O 2229-1-0J [0,1,0,0,0,1|1,0,0]=3 99 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,1,0,0,0,1|1,0,0]=3 100 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,1,0,0,0,1|1,0,0]=3 102 B10R1.363 CC(=O)C1(C)CCOCC1 2H17-1-87 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [0,1,0,0,0,1|0,0,0]=2 104 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [0,1,0,0,0,1|0,0,0]=2 105 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [0,1,0,0,0,1|1,0,0]=3 106 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,1,0,0,0,1|1,0,0]=3 108 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.27 COC(=O)C=C1CCCC1 2323-1-0X [0,1,0,0,0,1|1,0,1]=4 110 B10R1.54 CN1CCC(CC(=O)O)C1 4H21-5-2L [0,1,0,0,0,1|2,0,0]=4 111 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 4H48-1-SN [0,1,0,0,0,1|0,0,1]=3 112 B10R1.11 CCOC(=O)C1CCCN1 4H58-1-7S [0,2,0,0,0,0|0,0,0]=2 113 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 2229-1-R0 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-11 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 2229-1-S0 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 4233-5-05 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.149 COC(=O)C1SCCC1=O 6H29-1-0A [0,2,0,0,0,0|1,0,1]=4 118 B10R1.411 COC(=O)C1(N)CCCC1 4258-5-16 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 8H69-1-8C [0,2,0,0,0,0|1,0,0]=3 120 B10R1.128 CC1(C)CCCC1C(=O)O 2221-1-13 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.477 CNC1(C(=O)O)CCOC1 4H58-1-13 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,0,1,1,0,0|1,0,1]=4 123 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,0,1,1,0,0|2,0,0]=4 124 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,1,1,0,0|2,0,0]=4 126 B8R1.18 C[C@@H]1NC(=O)OC1=O 4H56-1-S0C [0,0,1,1,0,0|1,0,1]=4 127 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,0,1,1,0,0|0,0,0]=2 128 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,0,1,1,0,0|0,0,0]=2 129 B8R2.34 C1CC2CCC1N2 3H31-1-0Z [1,0,0,1,0,0|1,0,1]=4 130 B8R2.55 C1CNC2(C1)CC2 4H22-1-89 [1,0,0,1,0,0|1,0,1]=4 131 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,1,0,1|0,0,0]=2 132 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,1,0,1|0,0,0]=2 133 B10R2.316 O=C1CC2(CCCC2)C1 2217-1-0G [0,0,0,1,0,1|2,0,0]=4 134 B6R1.6 NNC1CCC1 3239-5-02 [1,0,0,0,1,0|2,0,0]=4 135 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,0,1,0|1,0,0]=3 136 B6R1.6 OCC1CSC1 6H66-1-64 [1,0,0,0,1,0|1,0,1]=4 137 B6R1.6 OC[C@H]1CCN1 4H56-1-R9 [1,0,0,0,1,0|0,0,1]=3 138 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [1,0,0,0,0,1|1,0,1]=4 139 B8R1.2 C#CC1CCCCN1 3H31-5-0A [1,0,0,0,0,1|1,0,1]=4 140 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [1,0,0,0,0,1|1,0,1]=4 141 B8R1.2 N#CC1CNCCN1 3H37-5-97 [1,0,0,0,0,1|1,0,1]=4 142 B8R1.2 OCC1CCCNC1 4H56-1-910 [1,0,0,0,0,1|0,0,1]=3 143 B8R1.2 OCC1CNCCO1 4H56-5-JJ [1,0,0,0,0,1|1,0,1]=4 144 B8R1.2 OCC1COCCN1 4H56-5-JK [1,0,0,0,0,1|0,0,1]=3 145 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,0,0,0,0,1|0,0,1]=3 146 B10R1.18 CC(O)CC1COCCN1 4H02-1-01 [0,0,0,0,0,2|1,0,1]=4 147 B10R1.18 O=C(O)C=C1CCCCC1 2221-1-0C [0,0,0,0,0,2|1,0,1]=4 148 B10R1.18 O=C(O)CC1COCCN1 4H21-5-2K [0,0,0,0,0,2|0,0,0]=2 149 B10R1.66 NC(=O)COC1CCCC1 4248-1-31 [0,0,0,0,0,2|2,0,0]=4