0 B7R0.1 CCCCSCCO 6166-1-0L [0,0,0,0,0,0|1,0,2]=3 1 B6R0.6 CCNCCOC 4156-1-3Q [1,0,0,0,0,0|2,0,1]=4 2 B8R0.4 N#CCCCNCCO 4137-1-10 [0,1,0,0,0,0|2,0,1]=4 3 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,1,0,0,0,0|1,0,1]=3 4 B8R0.6 N#CC(O)CCCCO 4137-1-11 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.7 C=C(C)CCCCCC 1300-1-30 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,1,0,0,0,0|0,0,2]=3 7 B8R0.7 COCCCCB(O)O 6160-1-0F [0,1,0,0,0,0|2,0,1]=4 8 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 C#CC1CCCCN1 3H31-5-0A [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [0,0,0,1,0,0|1,0,1]=3 12 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.2 COC1C=CCCC1 2407-1-00 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.2 COC1CCCCC1 2207-1-07 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 FCC1CCNCC1 3H31-7-0N [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 ICC1CCNCC1 3H31-M-05 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 N#CC1CCCCS1 7H37-1-04 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 NNC1CCNCC1 3H39-5-22 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 OCC1CCCNC1 4H56-1-910 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.8 CCO[C@H]1CCNC1 4H07-1-7E [0,0,0,1,0,0|3,0,0]=4 28 B8R1.8 NNCC1CCCC1 3239-1-02 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.8 OCCC1CCCC1 2201-1-0D [0,0,0,1,0,0|0,0,2]=3 30 B8R1.8 OCCC1CCNC1 4H56-1-327 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.10 CNCCC1CCC1 3231-1-07 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.22 C=C1OCCCCO1 2H10-1-71 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,0,0,1,0,0|1,0,1]=3 34 B8R1.36 OCCCCC1CN1 4H56-1-513 [0,0,0,1,0,0|1,0,2]=4 35 B5R0.2 CNCCSC 7166-5-02 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.2 FCCCCF 1100-3-44 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.2 NCCCCCl 3130-5-07 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [0,2,0,0,0,0|0,0,0]=2 42 B9R0.24 CCC(C)CCC(C)CC 1100-1-X1 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 2104-1-0G [0,2,0,0,0,0|1,0,1]=4 44 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,2,0,0,0,0|0,0,2]=4 45 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,2,0,0,0,0|0,0,2]=4 46 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,2,0,0,0,0|0,0,2]=4 47 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.38 COCCCCS(=O)(=O)Cl 6162-5-07 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.55 CC(=O)NCCCN(C)C 4148-1-50 [0,2,0,0,0,0|2,0,0]=4 50 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 OC1CCCNC1 4H56-1-909 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.4 O=C1CCCC1Br 2215-9-00 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.6 C=CCC1CNC1 4H22-3-12 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [1,0,0,1,0,0|2,0,0]=4 67 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.6 NCCC1CCC1 3230-1-0B [1,0,0,1,0,0|1,0,0]=3 69 B7R1.6 OCCN1CCC1 4H01-1-8D [1,0,0,1,0,0|1,0,1]=4 70 B7R1.8 O=C1CCC1CO 2220-1-06 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.24 C1=CCCNCC1 3H31-5-9D [1,0,0,1,0,0|1,0,1]=4 72 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,1,0,1,0,0|0,0,2]=4 73 B9R1.2 O=C1CC(CO)CCN1 4H56-1-042 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.8 CCC[C@@H]1CCCCN1 3H31-5-RD [0,1,0,1,0,0|1,0,1]=4 76 B9R1.8 CCC[C@H]1CCCCN1 3H31-5-SD [0,1,0,1,0,0|1,0,1]=4 77 B9R1.8 FCCC1CCNCC1 3H31-3-50 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.8 NCCC1CCSCC1 7H66-1-0B [0,1,0,1,0,0|1,0,1]=4 79 B9R1.8 O=CNC1=CCCCC1 4448-1-07 [0,1,0,1,0,0|0,0,2]=4 80 B9R1.8 OCC[C@@H]1CCCCN1 4H56-1-S20 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.8 OCC[C@@H]1CCCCN1 4H56-5-SD [0,1,0,1,0,0|0,0,2]=4 82 B9R1.12 O=C\C=C\C1CCCC1 2315-1-0A [0,1,0,1,0,0|0,0,1]=3 83 B9R1.15 CCN1CCNCC1=O 4H48-1-00D [0,1,0,1,0,0|1,0,0]=3 84 B9R1.15 CN[C@@H]1CCCC[C@H]1O 4256-5-37 [0,1,0,1,0,0|0,0,2]=4 85 B9R1.15 COC1COCCC1=O 2H17-1-84 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.15 NC[C@@H]1CCCC[C@H]1N 3230-1-00 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.33 O=C1NCCN1CCCl 4H53-5-0L [0,1,0,1,0,0|2,0,0]=4 88 B9R1.49 CN1CCCC(N)CC1 3H32-1-AY [0,1,0,1,0,0|2,0,0]=4 89 B9R1.50 NC1C=CCCCCC1 3430-1-01 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [0,1,0,1,0,0|1,0,0]=3 91 B9R1.117 OCCCC1(O)CCC1 2204-1-0A [0,1,0,1,0,0|0,0,2]=4 92 B9R1.5 CC1CCNCCN1C 3H31-1-9T [0,1,0,1,0,0|2,0,0]=4 93 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.17 NCCOCC1CCC1 4256-1-15 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.89 CCN1CCCCCC1 3H32-1-FY [0,1,0,1,0,0|1,0,1]=4 96 B9R1.89 N#CC1CCCNCC1 3H37-1-2F [0,1,0,1,0,0|1,0,1]=4 97 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.1 CC1CCC(CCl)CC1 1200-6-00 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.1 COC1CCC(N)CC1 4233-5-04 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.118 N#CC1(Br)CCCCC1 3237-9-01 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,1,0,1,0,0|1,0,0]=3 103 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.24 CC1(C)CCOC1C=O 2H15-1-0C [0,1,0,1,0,0|1,0,0]=3 105 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,1,0,1,0,0|2,0,0]=4 107 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [0,1,0,1,0,0|0,0,2]=4 108 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,1,0,1,0,0|1,0,0]=3 111 B9R2.49 C1CC2CCC1CN2 3H31-5-0B [0,0,0,2,0,0|1,0,1]=4 112 B9R2.174 C1CNCC2(C1)CC2 3H31-5-27 [0,0,0,2,0,0|2,0,0]=4 113 B9R2.39 [C@H]12CC[C@@H](C1)[C@@H](N)C2 3233-5-05 [0,0,0,2,0,0|1,0,1]=4 114 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [0,0,0,2,0,0|1,0,0]=3 115 B9R2.7 [C@H]12C=CC[C@H]1C(=O)C2 2417-1-15 [0,0,0,2,0,0|0,0,2]=4 116 B9R2.173 C1CC2(C1)CCNC2 3H31-1-0S [0,0,0,2,0,0|2,0,0]=4 117 B9R2.173 C1CC2(C1)CCNC2 4H22-1-30 [0,0,0,2,0,0|2,0,0]=4 118 B9R2.173 C1CCC2(C1)CNC2 4H22-1-74 [0,0,0,2,0,0|2,0,0]=4 119 B9R2.28 OCCC1CC12CC2 2201-1-09 [0,0,0,2,0,0|0,0,2]=4