0 B9R1.3 CC1CCCC(C)C1O 2202-1-0X [1,0,0,0,0,0|0,0,2]=3 1 B9R1.3 CC1CCCC(O)C1C 2202-1-0U [1,0,0,0,0,0|2,0,1]=4 2 B9R1.3 CC1CNCC(C)N1C 3H32-1-1M [1,0,0,0,0,0|3,0,0]=4 3 B9R1.3 CN1CCCC(N)C1=O 4H48-1-2E [1,0,0,0,0,0|2,0,0]=3 4 B9R1.3 CN1CCCC(O)C1=O 4H48-1-CZ [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 CN1CCC[C@H](N)C1=O 4H48-5-SC [1,0,0,0,0,0|2,0,0]=3 6 B9R1.3 C[C@H]1CNC[C@@H](C)N1C 3H31-1-4T [1,0,0,0,0,0|3,0,0]=4 7 B9R1.3 C[C@H]1CNC[C@@H](C)N1C 3H32-5-B7 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.40 CC1(C)CCCOC1=O 2H25-1-3F [1,0,0,0,0,0|1,0,0]=2 9 B9R1.40 CC1(C)CNCCC1=O 4H56-5-0G [1,0,0,0,0,0|1,0,0]=2 10 B9R1.40 CC1(C)CNCCC1O 4H56-1-PD [1,0,0,0,0,0|1,0,2]=4 11 B9R1.40 CC1(C)COCCC1N 4H56-5-B2 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.40 CN1CCNCC1(C)C 3H31-5-0U [1,0,0,0,0,0|3,0,0]=4 13 B9R1.40 O=C1CCCCC1(F)F 2217-3-07 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.40 O=C1CCNCC1(F)F 4H56-7-32 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.66 CC1(C)CC(O)CCO1 2H02-1-05 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.66 CC1(C)CCCC(=O)C1 2217-1-32 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.424 CC1=C(CO)C(C)(C)CCC1 2401-1-01 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.424 C[C@H]1CCCC(C)(C)[C@@H]1C=O 2215-1-02 [0,1,0,0,0,0|0,0,1]=2 19 B11R1.1322 CN1C(C)(C)CCCC1(C)C 3H32-1-8S [0,1,0,0,0,0|2,0,0]=3 20 B11R1.1322 O=C1C(Cl)(Cl)CCCC1(Cl)Cl 2217-5-00 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.1 CC(C)=CCCC(C)C=O 2315-1-06 [0,0,1,0,0,0|0,0,2]=3 22 B9R0.25 CON(C)C(=O)C(C)(C)C 4148-1-0G [0,0,1,0,0,0|2,0,0]=3 23 B8R0.6 C=CC(O)CCCCC 2302-1-05 [1,0,1,0,0,0|2,0,0]=4 24 B8R0.6 CCCCCN(C)N=O 4152-1-05 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [1,0,1,0,0,0|0,0,1]=3 26 B8R0.28 CC(=O)CCCN(C)C 4156-1-51 [1,0,1,0,0,0|1,0,1]=4 27 B8R0.28 CC(=O)CCOC(C)C 2117-1-0F [1,0,1,0,0,0|1,0,1]=4 28 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [1,0,1,0,0,0|1,0,1]=4 29 B8R0.28 CC(C)CNCC(C)C 3133-5-09 [1,0,1,0,0,0|1,0,1]=4 30 B8R0.28 CC(C)COCC(C)C 2107-1-0D [1,0,1,0,0,0|1,0,1]=4 31 B8R0.28 CC(C)C[AlH4]CC(C)C 9113-1-01 [1,0,1,0,0,0|1,0,1]=4 32 B8R0.2 CON(C)C(=O)C(C)C 4148-1-0F [1,0,1,0,0,0|2,0,0]=4 33 B8R0.3 CCCC(N)C(=O)OC 4158-5-0M [1,0,1,0,0,0|2,0,0]=4 34 B8R0.3 CCC[C@H](N)C(=O)OC 4158-1-S00 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.3 CCC[C@H](N)C(=O)OC 4158-5-SH [1,0,1,0,0,0|2,0,0]=4 36 B8R0.3 COC(=O)C(C)CCCl 2123-5-1K [1,0,1,0,0,0|2,0,0]=4 37 B8R0.8 CCCCC(=O)C(C)C 2117-1-0A [1,0,1,0,0,0|0,0,0]=2 38 B8R0.8 CCCOC(=O)C(C)O 2129-1-1G [1,0,1,0,0,0|2,0,0]=4 39 B8R0.8 CN(C)C(=O)CCCCl 4148-5-0J [1,0,1,0,0,0|2,0,0]=4 40 B8R0.14 CC(C)(C)C(=O)OCCl 2123-5-03 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.14 CCCC(=O)C(C)(C)C 2117-1-0C [1,0,1,0,0,0|0,0,0]=2 42 B8R0.14 CCCC(O)C(C)(C)C 2102-1-0E [1,0,1,0,0,0|0,0,2]=4 43 B8R0.14 CCOC(=O)C(C)(C)N 4130-1-00 [1,0,1,0,0,0|2,0,0]=4 44 B8R0.27 CC(C)(C)C(=O)C(Br)Br 2117-9-05 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.27 CC(C)(C)C(=O)C(Cl)Cl 2117-5-04 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.27 CN(C)C(=O)C(C)(C)C 4148-1-0Z [1,0,1,0,0,0|1,0,0]=3 47 B8R0.13 CCC(C)(N)C(=O)OC 4158-5-0N [1,0,1,0,0,0|2,0,0]=4 48 B8R0.34 CC(C)CC(C)(C)CO 2101-1-00 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.34 CCC(C)(O)CC(C)C 2103-1-04 [1,0,1,0,0,0|1,0,1]=4 50 B8R0.12 CC(C)(CCN)C(=O)O 4157-1-49 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.12 CC(C)(CCN)C(=O)O 4157-5-11 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.12 CCC[C@@](C)(N)C(=O)O 4157-1-RB [1,0,1,0,0,0|2,0,0]=4 53 B8R0.12 CCOC(C)(C)C(=O)O 2121-1-0T [1,0,1,0,0,0|2,0,0]=4 54 B8R0.30 CCCC(C)(O)CCC 2103-1-05 [1,0,1,0,0,0|1,0,1]=4 55 B8R0.30 CCOC(C)(C)OCC 2208-1-05 [1,0,1,0,0,0|2,0,0]=4 56 B8R1.4 CC1CCCC(N)C1 3230-1-0H [2,0,0,0,0,0|1,0,1]=4 57 B8R1.4 CC1CCCC(O)C1 2202-1-1F [2,0,0,0,0,0|1,0,1]=4 58 B8R1.4 CC1CCNC(C)C1 3H31-1-GJ [2,0,0,0,0,0|1,0,1]=4 59 B8R1.4 CC1CNCC(C)C1 3H31-1-0N [2,0,0,0,0,0|1,0,1]=4 60 B8R1.4 CC1COCC(C)N1 4H56-1-872 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 4H22-1-68 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 4H56-1-0GA [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 C[C@H]1CCC[C@@H](C)N1 3H31-1-DB [2,0,0,0,0,0|1,0,0]=3 64 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H56-1-649 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 CC1CCCCC1N 3230-1-13 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.5 CC1CCCNC1=O 4H48-1-MX [2,0,0,0,0,0|1,0,0]=3 67 B8R1.5 CC1CNCCC1=O 4H17-1-8V [2,0,0,0,0,0|1,0,0]=3 68 B8R1.5 C[C@@H]1CCCC[C@@H]1N 3230-5-25 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.5 C[C@H]1CCCC[C@H]1N 3230-5-26 [2,0,0,0,0,0|1,0,1]=4 70 B8R1.5 C[C@H]1CCCC[C@H]1O 2202-1-01 [2,0,0,0,0,0|0,0,2]=4 71 B8R1.5 O=C1CCCCC1Br 2217-9-0C [2,0,0,0,0,0|1,0,0]=3 72 B8R1.5 O=C1CCCCC1Cl 2217-5-09 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.5 O=C1CCCCC1F 2217-3-09 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.5 O=C1CCOCC1Br 2H17-9-03 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 O=C1CCOCC1F 2H17-3-03 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.72 CC1(C)CCCNC1 3H31-5-8E [2,0,0,0,0,0|1,0,1]=4 77 B8R1.72 CC1(C)CCNCC1 3H31-5-33 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.72 CC1(C)CCOCO1 2H08-1-0F [2,0,0,0,0,0|2,0,0]=4 79 B8R1.72 CC1(C)CNCCN1 3H31-1-6Z [2,0,0,0,0,0|2,0,0]=4 80 B8R1.72 CC1(C)CNCCN1 3H33-5-1W [2,0,0,0,0,0|2,0,0]=4 81 B8R1.72 CC1(C)CNCCO1 4H44-1-11 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.72 CC1(C)COCCN1 4H56-5-24 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.72 CC1(Cl)CCCCC1 1200-5-14 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.72 CC1(N)CCCCC1 3230-5-17 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.72 CC1(O)CCCCC1 2603-1-02 [2,0,0,0,0,0|1,0,1]=4 86 B10R0.3 CC(C)=CCC[C@@H](C)CC=O 2315-1-R0 [0,1,1,0,0,0|0,0,2]=4 87 B10R0.3 CC(C)=CCC[C@H](C)CC=O 2315-1-S0 [0,1,1,0,0,0|0,0,2]=4 88 B10R0.65 CCC(C)(O)CCCC(C)C 2103-1-03 [0,1,1,0,0,0|1,0,1]=4 89 B10R0.56 COC(=O)C(C)C(=O)C(C)C 2129-1-07 [0,1,1,0,0,0|1,0,1]=4 90 B10R0.42 CCCCNC(C)(C)[PH](=O)O 8174-1-01 [0,1,1,0,0,0|2,0,0]=4 91 B10R0.129 CCOC(C)(C)C(=O)OCCl 2123-5-22 [0,1,1,0,0,0|2,0,0]=4 92 B10R1.2 CN1CCCC(CO)C1=O 4H48-1-CA [1,1,0,0,0,0|1,0,0]=3 93 B10R1.230 CC1(NO)CCCCC1=O 4247-5-X1 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.147 CC1C[N+](C)(C)CC[C@H]1O 4H56-H-15 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.307 CC1(C)CNCC(C)(C)C1 3H31-5-26 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.329 CC1CC(=O)CC(C)(C)C1 2217-1-0S [1,1,0,0,0,0|0,0,2]=4 97 B10R1.329 CC1CC(N)CC(C)(C)C1 3230-1-0J [1,1,0,0,0,0|0,0,1]=3 98 B10R1.329 CC1CC(O)CC(C)(C)C1 2202-1-0G [1,1,0,0,0,0|0,0,1]=3 99 B10R1.329 C[C@@H]1C[C@@H](O)CC(C)(C)C1 2202-1-1A [1,1,0,0,0,0|0,0,1]=3 100 B12R1.510 CC1(C)CC(O)CC(C)(C)N1[O] 4H47-1-0C [0,2,0,0,0,0|1,0,1]=4 101 B12R1.510 CN1C(C)(C)CC(O)CC1(C)C 4H02-1-0C [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1284 CC1(C)CCC(=O)C(F)(F)C1=O 2218-3-07 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.23 CN(C)C(=O)C1CCCN1 4H48-5-G2 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 G311-A-14 [0,0,1,1,0,0|2,0,0]=4 105 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 4H48-5-RE [0,0,1,1,0,0|2,0,0]=4 106 B10R1.23 C[C@@H](N)C(=O)N1CCCC1 4H48-5-RD [0,0,1,1,0,0|2,0,0]=4 107 B10R1.81 CC(C)C(=O)N1CC(O)C1 4H48-1-054 [0,0,1,1,0,0|2,0,0]=4 108 B10R1.411 COC(=O)[C@@]1(C)CCCN1 4H58-5-R0 [0,0,1,1,0,0|2,0,0]=4 109 B10R1.424 COC(=O)C1(C)CC(O)C1 2229-1-62 [0,0,1,1,0,0|2,0,0]=4 110 B10R2.236 OC12CCCC(CC1)C2 2203-1-08 [1,0,0,1,0,0|1,0,1]=4 111 B12R2.509 CC1(C)C(=O)[C@]2(C)CC[C@H]1C2 2217-1-25 [0,1,0,1,0,0|0,0,0]=2 112 B8R0.9 CCC(C)CCC(C)C 1100-1-26 [0,0,1,0,1,0|1,0,1]=4 113 B8R1.50 CC1CCC(=O)C1=O 2218-1-00 [1,0,0,0,1,0|1,0,1]=4 114 B8R1.50 CC1CCN(C)C1=O 4H48-1-M3 [1,0,0,0,1,0|1,0,0]=3 115 B8R1.19 CC1(C)CCCC1=O 2217-1-1K [1,0,0,0,1,0|0,0,0]=2 116 B8R1.19 CC1(C)CCOC1=O 2H25-1-2X [1,0,0,0,1,0|1,0,0]=3 117 B10R0.37 CCC(Br)C(=O)OC(C)(C)C 2123-9-0F [0,0,1,0,0,1|1,0,0]=3 118 B10R0.37 CCC(O)C(=O)OC(C)(C)C 2129-1-77 [0,0,1,0,0,1|1,0,0]=3 119 B10R0.37 CC[C@@H](N)C(=O)OC(C)(C)C 4158-5-RD [0,0,1,0,0,1|1,0,0]=3 120 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C 4158-5-SD [0,0,1,0,0,1|1,0,0]=3 121 B10R0.37 CC[C@H](O)C(=O)OC(C)(C)C 2129-1-S0 [0,0,1,0,0,1|1,0,0]=3 122 B10R0.37 CN[C@@H](C)C(=O)OC(C)(C)C 4158-5-S9 [0,0,1,0,0,1|1,0,0]=3 123 B10R0.37 CN[C@H](C)C(=O)OC(C)(C)C 4158-5-R9 [0,0,1,0,0,1|1,0,0]=3