0 B11R0.124 CCCCCCNC(CC)CO AIFCHEM-94571765436 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.124 CCCNCCCN(CC)CC AIFCHEM-94535242914 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.124 CCOCCNCC(OC)OC AIFCHEM-94548606663 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.74 CCC(C)CNCCCCO AIFCHEM-6503161781 [1,0,0,0,0,0|3,0,0]=4 4 B10R0.74 CCCCCNCC(C)CC AIFCHEM-94522656373 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.74 CCCCCNCC(F)CC AIFCHEM-94551426530 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.74 CCCCNCCC(C)CO AIFCHEM-94523038052 [1,0,0,0,0,0|3,0,0]=4 7 B12R0.35 COC(COCCNC(=O)C)OC AIFCHEM-94605342210 [0,1,0,0,0,0|2,0,1]=4 8 B12R0.57 CCC(CC)NCCCCCCO AIFCHEM-94538328301 [0,1,0,0,0,0|3,0,0]=4 9 B12R0.116 CCCCCNC(C)C(CC)CC AIFCHEM-94552822252 [0,1,0,0,0,0|3,0,0]=4 10 B12R0.116 CCSCCNC(C)C(OC)OC AIFCHEM-94566119087 [0,1,0,0,0,0|2,0,0]=3 11 B12R0.116 COC(OC)C(=O)NCCCSC AIFCHEM-94529064990 [0,1,0,0,0,0|2,0,1]=4 12 B12R0.121 CCCCCCNC(CC)COC AIFCHEM-94571765433 [0,1,0,0,0,0|2,0,0]=3 13 B12R0.130 COC(CCCNC(=O)CO)OC AIFCHEM-94526301861 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.130 COC(CNCCC(C)SC)OC AIFCHEM-6279645200 [0,1,0,0,0,0|2,0,0]=3 15 B12R0.133 CCCCC(C)NCC(CC)CC AIFCHEM-94528141130 [0,1,0,0,0,0|3,0,0]=4 16 B12R0.144 CCCCNC(=O)CC(OC)OC AIFCHEM-94570983320 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.37 CCCCCNCC1CCCC1 AIFCHEM-94551434958 [0,0,0,1,0,0|3,0,0]=4 18 B12R1.71 CCCCN1CCC(CC1)SC AIFCHEM-94523034425 [0,0,0,1,0,0|2,1,0]=4 19 B12R1.71 CCCNC1CCC(CC1)OC AIFCHEM-94521366862 [0,0,0,1,0,0|2,0,0]=3 20 B12R1.71 CCCN[C@H]1CC[C@@H](CC1)OC AIFCHEM-94566594209 [0,0,0,1,0,0|2,0,0]=3 21 B12R1.71 CCCN[C@H]1CC[C@H](CC1)OC AIFCHEM-94569020631 [0,0,0,1,0,0|2,0,0]=3 22 B12R1.118 CCC(CC)NC1CCCCC1 AIFCHEM-94601795825 [0,0,0,1,0,0|3,0,0]=4 23 B12R1.251 COC(CN1CCCC1C)OC AIFCHEM-94592636477 [0,0,0,1,0,0|1,0,0]=2 24 B12R1.251 COC(CN1CCC[C@@H]1C)OC AIFCHEM-5650262493 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.251 COC(CN1CCC[C@H]1C)OC AIFCHEM-6051843469 [0,0,0,1,0,0|1,0,0]=2 26 B12R1.251 COC(CN1CCSC1C)OC AIFCHEM-94597269142 [0,0,0,1,0,0|2,0,0]=3 27 B12R1.297 CCC(CC)CNC1CCCC1 AIFCHEM-94541529313 [0,0,0,1,0,0|3,0,0]=4 28 B12R1.297 CCC(CC)NCC1CCCC1 AIFCHEM-5752006648 [0,0,0,1,0,0|3,0,0]=4 29 B12R1.1533 COC(CNC[C@@H]1C[C@H]1C)OC AIFCHEM-94599417630 [0,0,0,1,0,0|1,0,0]=2 30 B9R0.46 CCCCNCC(C)OC AIFCHEM-94523040962 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.46 CCCCNC[C@@H](C)OC AIFCHEM-94608836381 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.46 CCCCNC[C@H](C)OC AIFCHEM-94523043222 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.2 CCCNCCOC(C)C AIFCHEM-94569022755 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.2 CCNCCCCN(C)C AIFCHEM-94537420638 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.2 CCSCCNCC(C)C AIFCHEM-94572982023 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.2 COCCCNCC(C)C AIFCHEM-94572976670 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [2,0,0,0,0,0|2,0,0]=4 40 B11R0.22 COC(CNCCN(C)C)OC AIFCHEM-94564763462 [1,1,0,0,0,0|2,0,0]=4 41 B11R0.72 CCCNC(=O)CC(OC)OC AIFCHEM-94521379625 [1,1,0,0,0,0|1,0,1]=4 42 B11R0.72 COC(CN(C)CCSC)OC AIFCHEM-94607182523 [1,1,0,0,0,0|2,0,0]=4 43 B11R0.157 COCCNC(C)C(OC)OC AIFCHEM-5990108581 [1,1,0,0,0,0|2,0,0]=4 44 B11R0.161 CCCCCNC(CC)COC AIFCHEM-94522654002 [1,1,0,0,0,0|2,0,0]=4 45 B11R0.200 COC(C)CNCC(OC)OC AIFCHEM-5787330116 [1,1,0,0,0,0|2,0,0]=4 46 B11R0.200 COC(CNC[C@@H](C)OC)OC AIFCHEM-94608839806 [1,1,0,0,0,0|2,0,0]=4 47 B11R0.200 COC(CNC[C@H](C)OC)OC AIFCHEM-5929626134 [1,1,0,0,0,0|2,0,0]=4 48 B11R0.4 CCOCCCNC(C)COC AIFCHEM-6273538513 [1,1,0,0,0,0|2,0,0]=4 49 B11R0.40 CCCCCNCCC(C)SC AIFCHEM-94552819181 [1,1,0,0,0,0|0,1,0]=3 50 B11R0.40 CCOCCNCCC(C)SC AIFCHEM-94548604240 [1,1,0,0,0,0|1,1,0]=4 51 B11R0.40 CSC(C)CCNCCCCO AIFCHEM-6488562984 [1,1,0,0,0,0|1,1,0]=4 52 B11R0.40 CSCCCNCCC(C)SC AIFCHEM-94529052188 [1,1,0,0,0,0|1,1,0]=4 53 B11R0.42 CCCCCCNC(C)C(C)C AIFCHEM-94522500642 [1,1,0,0,0,0|2,0,0]=4 54 B11R0.70 CCCCC(C)NCC(C)OC AIFCHEM-94541403618 [1,1,0,0,0,0|1,0,0]=3 55 B11R0.70 CCCCC(C)NC[C@@H](C)OC AIFCHEM-94608840322 [1,1,0,0,0,0|1,0,0]=3 56 B11R0.70 CCCCC(C)NC[C@H](C)OC AIFCHEM-94588784228 [1,1,0,0,0,0|1,0,0]=3 57 B11R0.142 CCCCCCC(C)N(C)CC AIFCHEM-6173130419 [1,1,0,0,0,0|2,0,0]=4 58 B11R0.142 CCCCCNC(=O)C(C)OC AIFCHEM-94522662424 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.142 CCCCCNC(=O)[C@@H](C)OC AIFCHEM-94522660778 [1,1,0,0,0,0|1,0,1]=4 60 B11R0.142 CCCCCNC(=O)[C@H](C)OC AIFCHEM-94522660782 [1,1,0,0,0,0|1,0,1]=4 61 B11R0.174 CCCC(C)NCCC(C)SC AIFCHEM-94560471461 [1,1,0,0,0,0|1,1,0]=4 62 B11R0.174 CCC[C@@H](C)NCCC(C)SC AIFCHEM-6081678009 [1,1,0,0,0,0|1,1,0]=4 63 B11R0.174 CCC[C@H](C)NCCC(C)SC AIFCHEM-5628494798 [1,1,0,0,0,0|1,1,0]=4 64 B13R0.1121 COC(CCCNC(C)C(C)O)OC AIFCHEM-94547067716 [0,2,0,0,0,0|1,0,0]=3 65 B13R0.1121 COC(CCCNC(C)C(F)F)OC AIFCHEM-94548672810 [0,2,0,0,0,0|2,0,0]=4 66 B13R0.3 COC(CNC[C@H](C)CCCO)OC AIFCHEM-6464057153 [0,2,0,0,0,0|1,0,0]=3 67 B13R0.277 CCCCCCNC(C)C(CC)CC AIFCHEM-94573178416 [0,2,0,0,0,0|2,0,0]=4 68 B13R0.277 CCCCCCNC(C)C(OC)OC AIFCHEM-6100432657 [0,2,0,0,0,0|0,0,0]=2 69 B13R0.277 CCOCCCNC(C)C(OC)OC AIFCHEM-6280975007 [0,2,0,0,0,0|1,0,0]=3 70 B13R0.412 CCC(CC)NCCCCCCCO AIFCHEM-94538324508 [0,2,0,0,0,0|2,0,0]=4 71 B13R0.412 CCCCCCCNCC(OC)OC AIFCHEM-94589456201 [0,2,0,0,0,0|0,0,0]=2 72 B13R0.412 CCCCNCCOCC(OC)OC AIFCHEM-94523029911 [0,2,0,0,0,0|0,0,0]=2 73 B13R0.426 COC(CNC(C)CCCC#N)OC AIFCHEM-94560941238 [0,2,0,0,0,0|1,0,1]=4 74 B13R0.439 CCOCCNC(C)CC(OC)OC AIFCHEM-94548606879 [0,2,0,0,0,0|1,0,0]=3 75 B13R0.439 CCSCCNC(=O)CC(OC)OC AIFCHEM-94566128004 [0,2,0,0,0,0|1,0,1]=4 76 B13R0.439 COCCCNC(C)CC(OC)OC AIFCHEM-5644128344 [0,2,0,0,0,0|1,0,0]=3 77 B13R0.1115 CCOC(=O)CCNCC(OC)OC AIFCHEM-6011885263 [0,2,0,0,0,0|1,0,1]=4 78 B13R0.122 CCCC[C@@H](C)NC(=O)C(OC)OC AIFCHEM-94596962781 [0,2,0,0,0,0|1,0,1]=4 79 B13R0.122 CCCC[C@@H](C)NC(C)C(OC)OC AIFCHEM-94596953188 [0,2,0,0,0,0|1,0,0]=3 80 B13R0.481 CCC(O)CNC(C)CC(OC)OC AIFCHEM-6456857598 [0,2,0,0,0,0|1,0,0]=3 81 B13R0.481 CC[C@@H](O)CNC(C)CC(OC)OC AIFCHEM-6437312813 [0,2,0,0,0,0|1,0,0]=3 82 B13R0.1213 COC(CCCNC(CO)CO)OC AIFCHEM-94606743322 [0,2,0,0,0,0|2,0,0]=4 83 B13R0.466 CCCCC(=O)N(C)CC(OC)OC AIFCHEM-94534101453 [0,2,0,0,0,0|1,0,1]=4 84 B13R0.658 COC(CN[C@@H](CO)CCSC)OC AIFCHEM-94606062338 [0,2,0,0,0,0|2,0,0]=4 85 B13R0.658 COC(CN[C@H](CO)CCSC)OC AIFCHEM-6502569889 [0,2,0,0,0,0|2,0,0]=4 86 B13R0.414 CCCC(C)NC(=O)CC(OC)OC AIFCHEM-94560483587 [0,2,0,0,0,0|1,0,1]=4 87 B13R0.414 CCCC(C)NC(C)CC(OC)OC AIFCHEM-94560474100 [0,2,0,0,0,0|1,0,0]=3 88 B13R0.414 CCC[C@H](C)NC(C)CC(OC)OC AIFCHEM-5637070594 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.170 COC(CNC1COC1)OC AIFCHEM-5714480593 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.1 CCCCN1CCC(CC1)C AIFCHEM-94523040026 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.47 CCCCCCCN1CCC1 AIFCHEM-94604918926 [1,0,0,1,0,0|2,0,0]=4 92 B11R1.189 CCCN1CCCC(C1)OC AIFCHEM-94569018401 [1,0,0,1,0,0|1,0,0]=3 93 B11R1.189 CCCN1CCC[C@@H](C1)OC AIFCHEM-94569021521 [1,0,0,1,0,0|1,0,0]=3 94 B11R1.189 CCCN1CCC[C@H](C1)OC AIFCHEM-94569021520 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.189 CCNC1CCCC(C1)OC AIFCHEM-94537426761 [1,0,0,1,0,0|1,0,0]=3 96 B11R1.237 CCC(C)CNCCC1CC1 AIFCHEM-5697343846 [1,0,0,1,0,0|2,0,0]=4 97 B13R1.146 COC(CN1CCCC(C1)O)OC AIFCHEM-6456071879 [0,1,0,1,0,0|1,0,0]=3 98 B13R1.146 COC(CN1CCC[C@@H](C1)O)OC AIFCHEM-94574940269 [0,1,0,1,0,0|1,0,0]=3 99 B13R1.146 COC(CN1CCC[C@H](C1)O)OC AIFCHEM-94531245087 [0,1,0,1,0,0|1,0,0]=3 100 B13R1.146 COC(CN1CCOC(C1)O)OC AIFCHEM-6408814157 [0,1,0,1,0,0|2,0,0]=4 101 B13R1.323 COC(CCCNCC1CC1)OC AIFCHEM-94526290988 [0,1,0,1,0,0|0,0,0]=2 102 B13R1.3491 COC(CN1CCCC1(C)C)OC AIFCHEM-94522228029 [0,1,0,1,0,0|1,0,0]=3 103 B13R1.119 CCCCCCCNC1CCCC1 AIFCHEM-94589448702 [0,1,0,1,0,0|2,0,0]=4 104 B13R1.189 COC1CCN(C1)CCCCCO AIFCHEM-5751340284 [0,1,0,1,0,0|2,0,0]=4 105 B13R1.189 CO[C@@H]1CCN(C1)CCCCCO AIFCHEM-5803815993 [0,1,0,1,0,0|2,0,0]=4 106 B13R1.189 CO[C@H]1CCN(C1)CCCCCO AIFCHEM-94577850350 [0,1,0,1,0,0|2,0,0]=4 107 B13R1.316 COC(CN[C@@H]1COC[C@@H]1O)OC AIFCHEM-6477400440 [0,1,0,1,0,0|2,0,0]=4 108 B13R1.316 COC(CN[C@H]1COC[C@@H]1O)OC AIFCHEM-94528217777 [0,1,0,1,0,0|2,0,0]=4 109 B13R1.371 CCCCCN1CCC(CC1)SC AIFCHEM-94551429636 [0,1,0,1,0,0|1,1,0]=4 110 B13R1.371 CCCCNC1CCN(CC1)OC AIFCHEM-5745137185 [0,1,0,1,0,0|2,0,0]=4 111 B13R1.415 COC(CNCC1CCOC1)OC AIFCHEM-6245271730 [0,1,0,1,0,0|1,0,0]=3 112 B13R1.415 COC(CNC[C@@H]1CCOC1)OC AIFCHEM-5749216044 [0,1,0,1,0,0|1,0,0]=3 113 B13R1.415 COC(CNC[C@H]1CCOC1)OC AIFCHEM-5992670410 [0,1,0,1,0,0|1,0,0]=3 114 B13R1.417 CCC(CC)NCC1CCCCC1 AIFCHEM-5701706146 [0,1,0,1,0,0|2,0,0]=4 115 B13R1.417 COC(CNC1CCOCC1)OC AIFCHEM-5654207428 [0,1,0,1,0,0|1,0,0]=3 116 B13R1.1652 CCCCN1CCCC(CC1)OC AIFCHEM-94523031528 [0,1,0,1,0,0|1,0,0]=3 117 B13R1.1398 COC(OC)C(C)NCC1CCO1 AIFCHEM-94567678508 [0,1,0,1,0,0|2,0,0]=4 118 B13R1.1398 COC(OC)C(C)NC[C@H]1CCO1 AIFCHEM-5720661869 [0,1,0,1,0,0|2,0,0]=4 119 B13R1.28 CCCCCNCC1CCCOC1 AIFCHEM-94551424088 [0,1,0,1,0,0|2,0,0]=4 120 B13R1.28 CCCCCNCC1COCCO1 AIFCHEM-94551424360 [0,1,0,1,0,0|1,0,0]=3 121 B13R1.28 CCCCCNC[C@@H]1COCCO1 AIFCHEM-94551427439 [0,1,0,1,0,0|1,0,0]=3 122 B13R1.28 CCCCCNC[C@H]1COCCO1 AIFCHEM-94551427440 [0,1,0,1,0,0|1,0,0]=3 123 B13R1.28 CSCCCNCC1COCCO1 AIFCHEM-94546174061 [0,1,0,1,0,0|2,0,0]=4 124 B13R1.28 CSCCCNC[C@@H]1COCCO1 AIFCHEM-94546177140 [0,1,0,1,0,0|2,0,0]=4 125 B13R1.28 CSCCCNC[C@H]1COCCO1 AIFCHEM-94546177141 [0,1,0,1,0,0|2,0,0]=4 126 B13R1.173 CCC(COC)N1CCCC[C@@H]1C AIFCHEM-5970548191 [0,1,0,1,0,0|2,0,0]=4 127 B13R1.173 CCC(COC)N1CCCC[C@H]1C AIFCHEM-5693897511 [0,1,0,1,0,0|2,0,0]=4 128 B13R1.5937 CCCCCNCC1(COC1)CC AIFCHEM-94552823967 [0,1,0,1,0,0|2,0,0]=4 129 B13R1.536 CSC(C)CCNCC1OCCO1 AIFCHEM-5665779437 [0,1,0,1,0,0|2,0,0]=4 130 B13R1.2330 COC(CN[C@H]1C[C@@H](C1)OC)OC AIFCHEM-5764827011 [0,1,0,1,0,0|2,0,0]=4 131 B13R1.2330 COC1CC(C1)NCC(OC)OC AIFCHEM-6245182981 [0,1,0,1,0,0|2,0,0]=4 132 B13R1.153 CCCCC(C)NCC1OCCO1 AIFCHEM-94541400645 [0,1,0,1,0,0|1,0,0]=3 133 B13R1.234 COCC1CN(C1)CC(OC)OC AIFCHEM-6247668591 [0,1,0,1,0,0|2,0,0]=4 134 B13R1.2712 COC(C)(CNC1CCCC1)OC AIFCHEM-94541520178 [0,1,0,1,0,0|1,0,0]=3 135 B13R1.2985 CCCCN1CCC(CC1)(C)OC AIFCHEM-94523037474 [0,1,0,1,0,0|2,0,0]=4 136 B13R2.2381 C1CC(C1)NCCC2OCCO2 AIFCHEM-94576055339 [0,0,0,2,0,0|1,0,0]=3