0 B11R0.148 CCCCCNCCCC(=O)N AIFCHEM-94551425838 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.148 CCNCCCCCCC(=O)O AIFCHEM-94537427208 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [1,0,0,0,0,0|2,0,1]=4 5 B12R0.95 CCCCC(C)NCCCC(=O)N AIFCHEM-94541393283 [0,1,0,0,0,0|2,0,1]=4 6 B12R0.184 CSC(C)CCNCCCC(=O)O AIFCHEM-5644293606 [0,1,0,0,0,0|2,0,1]=4 7 B12R0.233 CCCCNC(=O)CCCC(=O)C AIFCHEM-94570981077 [0,1,0,0,0,0|2,0,1]=4 8 B12R0.234 CCCCCNCCCCC(=O)N AIFCHEM-94551439220 [0,1,0,0,0,0|1,0,2]=4 9 B12R0.234 CCNCCCCCCCC(=O)O AIFCHEM-94537411212 [0,1,0,0,0,0|0,0,2]=3 10 B12R0.234 CSCCCNCCCCC(=O)O AIFCHEM-94585280802 [0,1,0,0,0,0|1,0,2]=4 11 B12R0.234 CSCCCNCCSCC(=O)O AIFCHEM-94535040619 [0,1,0,0,0,0|2,0,1]=4 12 B12R0.234 NC(=O)CCCNCCCCCO AIFCHEM-5892464016 [0,1,0,0,0,0|2,0,1]=4 13 B12R0.255 CCCCCCC(=O)NCC(=O)C AIFCHEM-94521991303 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.255 CCCCCNC(=O)CCC(=O)C AIFCHEM-94522657637 [0,1,0,0,0,0|2,0,0]=3 15 B12R0.255 COCCCNC(C)CCC(=O)O AIFCHEM-5624747131 [0,1,0,0,0,0|2,0,1]=4 16 B12R0.255 CSCCCNC(C)CCC(=O)O AIFCHEM-94590978995 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.75 CCN1CCCCC1CC(=O)O AIFCHEM-94537417690 [0,0,0,1,0,0|1,0,2]=4 18 B12R1.252 O=C(O)CCNC1CCCCC1 AIFCHEM-94601784199 [0,0,0,1,0,0|1,0,1]=3 19 B12R1.252 O=C(O)CCNC1CCCOC1 AIFCHEM-5845927405 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.255 NC(=O)CCCNC1CCCC1 AIFCHEM-94541520042 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.255 O=C(O)CCNCC1CCCC1 AIFCHEM-5845910100 [0,0,0,1,0,0|1,0,1]=3 22 B12R1.257 NC(=O)CCCNCC1CCC1 AIFCHEM-5938747486 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.522 CCCCCN1CCC1C(=O)O AIFCHEM-94551430732 [0,0,0,1,0,0|1,0,1]=3 24 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O AIFCHEM-94551436850 [0,0,0,1,0,0|1,0,1]=3 25 B12R1.522 CCCCCN1CC[C@H]1C(=O)O AIFCHEM-94551429848 [0,0,0,1,0,0|1,0,1]=3 26 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [2,0,0,0,0,0|2,0,0]=4 29 B11R0.2 CCCCCNC(=O)CC(=O)N AIFCHEM-94522660717 [1,1,0,0,0,0|2,0,0]=4 30 B11R0.42 CSCCCNCC(C)C(=O)O AIFCHEM-94526938106 [1,1,0,0,0,0|2,0,0]=4 31 B11R0.42 CSCCCNC[C@@H](C)C(=O)O AIFCHEM-94546179582 [1,1,0,0,0,0|2,0,0]=4 32 B11R0.42 CSCCCNC[C@H](C)C(=O)O AIFCHEM-94548735329 [1,1,0,0,0,0|2,0,0]=4 33 B11R0.46 CCCCNC(=O)CCC(=O)N AIFCHEM-94563285423 [1,1,0,0,0,0|2,0,0]=4 34 B11R0.46 CSCCCN(C)CCC(=O)O AIFCHEM-94553135028 [1,1,0,0,0,0|2,0,0]=4 35 B13R0.274 CCCCCCNC(C)CC(=O)OC AIFCHEM-94575431688 [0,2,0,0,0,0|1,0,1]=4 36 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N AIFCHEM-94563285894 [0,2,0,0,0,0|2,0,0]=4 37 B13R0.188 CCCCCC(=O)NCCCC(=O)N AIFCHEM-94585547670 [0,2,0,0,0,0|1,0,1]=4 38 B13R0.188 CCCCCC(=O)NCCNC(=O)N AIFCHEM-94585550404 [0,2,0,0,0,0|2,0,0]=4 39 B13R0.188 CCCCCC(=O)NCCNC(=O)O AIFCHEM-94585545774 [0,2,0,0,0,0|1,0,0]=3 40 B13R0.345 CCCCC(C)C(=O)NCCC(=O)C AIFCHEM-6218803003 [0,2,0,0,0,0|2,0,0]=4 41 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)O AIFCHEM-94585545673 [0,2,0,0,0,0|2,0,0]=4 42 B13R0.1 CC(=O)CCNC(=O)CCCCCO AIFCHEM-6219369089 [0,2,0,0,0,0|2,0,0]=4 43 B13R0.139 CCCCCN(C)C(=O)CCC(=O)N AIFCHEM-94563291359 [0,2,0,0,0,0|2,0,0]=4 44 B13R0.194 CCCCNC(=O)CCCC(=O)OC AIFCHEM-5693350657 [0,2,0,0,0,0|1,0,1]=4 45 B13R0.54 CCCCCCCCNCCC(=O)O AIFCHEM-5851067362 [0,2,0,0,0,0|0,0,2]=4 46 B13R0.54 CCCCCNCCCCCC(=O)O AIFCHEM-94551433158 [0,2,0,0,0,0|0,0,2]=4 47 B13R0.54 CCCCNCCCCCCC(=O)O AIFCHEM-94523043521 [0,2,0,0,0,0|0,0,2]=4 48 B13R0.54 CCCNCCCCCCNC(=O)O AIFCHEM-94569012518 [0,2,0,0,0,0|0,0,2]=4 49 B13R0.54 O=C(O)CCCCCCCNCCF AIFCHEM-5853572975 [0,2,0,0,0,0|0,0,2]=4 50 B13R0.119 CCCNC(C)CCCCCC(=O)O AIFCHEM-94521367040 [0,2,0,0,0,0|0,0,2]=4 51 B13R0.147 CCCCCCNCCCC(=O)OC AIFCHEM-94592445419 [0,2,0,0,0,0|0,0,2]=4 52 B13R0.147 CCCCNCCCCCC(=O)OC AIFCHEM-94523033844 [0,2,0,0,0,0|0,0,2]=4 53 B13R0.147 COC(=O)CCCNCCCCCO AIFCHEM-94592439703 [0,2,0,0,0,0|1,0,1]=4 54 B13R0.154 CCCCCCCC(C)NCC(=O)O AIFCHEM-5912861226 [0,2,0,0,0,0|0,0,2]=4 55 B13R0.154 CCCCCCNC(=O)CCC(=O)C AIFCHEM-94571769068 [0,2,0,0,0,0|1,0,1]=4 56 B13R0.154 CCCCCCNC(=O)CCC(=O)N AIFCHEM-94563288154 [0,2,0,0,0,0|1,0,1]=4 57 B13R0.202 COC(=O)CCCNCCCC(C)C AIFCHEM-94592433109 [0,2,0,0,0,0|1,0,1]=4 58 B13R0.284 CCCCCNC(C)CC(C)C(=O)O AIFCHEM-94605208916 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.193 CCCN1CCCC1C(=O)O AIFCHEM-94569020567 [1,0,0,1,0,0|1,0,1]=4 60 B11R1.193 CCCN1CCC[C@@H]1C(=O)O AIFCHEM-94569017577 [1,0,0,1,0,0|1,0,1]=4 61 B11R1.193 CCCN1CCC[C@H]1C(=O)O AIFCHEM-94569022460 [1,0,0,1,0,0|1,0,1]=4 62 B11R1.193 CCCN1COCC1C(=O)O AIFCHEM-94604005934 [1,0,0,1,0,0|2,0,0]=4 63 B13R1.158 O=C(O)CCNC1CCCCC1O AIFCHEM-5845945830 [0,1,0,1,0,0|1,0,1]=4 64 B13R1.337 O=C(O)CCCNC1CCOCC1 AIFCHEM-5678114336 [0,1,0,1,0,0|1,0,1]=4 65 B13R1.1044 CC(CC1CC1)NCCCC(=O)O AIFCHEM-5596297368 [0,1,0,1,0,0|1,0,1]=4 66 B13R1.149 C[C@@H]1CCCC(C1)NCCC(=O)O AIFCHEM-94588379388 [0,1,0,1,0,0|1,0,1]=4 67 B13R1.658 CCCCCN1CCC(C1)C(=O)O AIFCHEM-94551439082 [0,1,0,1,0,0|1,0,1]=4 68 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)O AIFCHEM-94551436335 [0,1,0,1,0,0|1,0,1]=4 69 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)O AIFCHEM-94551436336 [0,1,0,1,0,0|1,0,1]=4 70 B13R1.1048 CC(=O)CCNC(=O)CCC1CC1 AIFCHEM-6193925774 [0,1,0,1,0,0|2,0,0]=4 71 B13R1.167 CC1OCCC1NCCCC(=O)O AIFCHEM-5635349255 [0,1,0,1,0,0|1,0,1]=4 72 B13R1.224 CCCN1CCCCCC1C(=O)O AIFCHEM-94569019470 [0,1,0,1,0,0|0,0,2]=4 73 B13R1.343 O=C(O)COCCNC1CCCC1 AIFCHEM-94541531363 [0,1,0,1,0,0|1,0,1]=4 74 B13R1.343 O=C(O)CSCCNC1CCCC1 AIFCHEM-94535038003 [0,1,0,1,0,0|1,0,1]=4 75 B13R1.380 CCCN1CCCCC1CC(=O)O AIFCHEM-94569014773 [0,1,0,1,0,0|0,0,2]=4 76 B13R1.392 CCCN1CCCC1CCC(=O)O AIFCHEM-94600406476 [0,1,0,1,0,0|0,0,2]=4 77 B13R1.670 CCCCCN1CCCC1C(=O)O AIFCHEM-94551435008 [0,1,0,1,0,0|0,0,2]=4 78 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O AIFCHEM-94551432018 [0,1,0,1,0,0|0,0,2]=4 79 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O AIFCHEM-94551427202 [0,1,0,1,0,0|0,0,2]=4 80 B13R1.670 CCCCCN1CSC[C@@H]1C(=O)O AIFCHEM-94551433341 [0,1,0,1,0,0|1,0,1]=4 81 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O AIFCHEM-94551432048 [0,1,0,1,0,0|1,0,1]=4 82 B13R1.3435 O=C(O)C1CCN1CCCCCO AIFCHEM-5725201098 [0,1,0,1,0,0|1,0,1]=4 83 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCO AIFCHEM-6274027400 [0,1,0,1,0,0|1,0,1]=4 84 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCO AIFCHEM-6127155932 [0,1,0,1,0,0|1,0,1]=4 85 B13R1.599 COC(=O)CCCN1CCCC1C AIFCHEM-94592445726 [0,1,0,1,0,0|1,0,1]=4 86 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C AIFCHEM-94592443804 [0,1,0,1,0,0|1,0,1]=4 87 B13R1.599 COC(=O)CCCN1CCC[C@H]1C AIFCHEM-94592435238 [0,1,0,1,0,0|1,0,1]=4 88 B13R1.718 COC(=O)CCNC1CCCCC1 AIFCHEM-94601792405 [0,1,0,1,0,0|1,0,1]=4 89 B13R1.169 CC(CNC1CCCC1C)C(=O)O AIFCHEM-94526935225 [0,1,0,1,0,0|1,0,1]=4 90 B13R1.169 CC1CCCC1NC[C@@H](C)C(=O)O AIFCHEM-94558213673 [0,1,0,1,0,0|1,0,1]=4 91 B13R1.169 CC1CCCC1NC[C@H](C)C(=O)O AIFCHEM-94548732448 [0,1,0,1,0,0|1,0,1]=4 92 B13R1.1054 CC(CCC(=O)O)NCC1CCC1 AIFCHEM-6209082147 [0,1,0,1,0,0|1,0,1]=4 93 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 AIFCHEM-94563297357 [0,1,0,1,0,0|2,0,0]=4 94 B13R1.2135 CCN1CCNC(=O)C1CC(=O)O AIFCHEM-94537421336 [0,1,0,1,0,0|2,0,0]=4 95 B10R0.3 CCCN(C)CCCC(=O)O AIFCHEM-94569009330 [2,1,0,0,0,0|1,0,0]=4 96 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [2,1,0,0,0,0|1,0,0]=4 97 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [2,1,0,0,0,0|1,0,0]=4 98 B10R0.78 CCCNC(C)CCC(=O)O AIFCHEM-94569012120 [2,1,0,0,0,0|1,0,0]=4 99 B10R0.1 CCCCCNC(=O)CCO AIFCHEM-94522662823 [2,1,0,0,0,0|1,0,0]=4 100 B12R0.113 CCCCCNC(C)CC(=O)OC AIFCHEM-94522649989 [1,2,0,0,0,0|1,0,0]=4 101 B12R0.113 CCCCCN[C@@H](C)CC(=O)OC AIFCHEM-94551426621 [1,2,0,0,0,0|1,0,0]=4 102 B12R0.113 CCCCCN[C@H](C)CC(=O)OC AIFCHEM-94564415899 [1,2,0,0,0,0|1,0,0]=4 103 B12R0.202 CCCCCN[C@H](CO)CC(=O)O AIFCHEM-94551428021 [1,2,0,0,0,0|1,0,0]=4 104 B12R0.44 CC(C)CCC(C)NCCC(=O)O AIFCHEM-94561165699 [1,2,0,0,0,0|1,0,0]=4 105 B12R0.48 CCCCC(C)NC[C@H](O)C(=O)O AIFCHEM-94541402790 [1,2,0,0,0,0|1,0,0]=4 106 B14R0.1749 CCC(C)CCC(=O)NCCNC(=O)O AIFCHEM-94535752142 [0,3,0,0,0,0|1,0,0]=4 107 B14R0.46 CCCCC(C)C(=O)NCCNC(=O)O AIFCHEM-94535755738 [0,3,0,0,0,0|1,0,0]=4 108 B14R0.2224 CCCCNCC(=O)NCCCC(=O)O AIFCHEM-94523036550 [0,3,0,0,0,0|0,0,1]=4 109 B14R0.12 CCCCCNC(=O)CSCC(=O)OC AIFCHEM-94552833128 [0,3,0,0,0,0|1,0,0]=4 110 B14R0.244 CCCCCC(=O)NCC(C)C(=O)OC AIFCHEM-94585557528 [0,3,0,0,0,0|1,0,0]=4 111 B10R1.127 O=C(O)CCNC1CCC1 AIFCHEM-94576044203 [2,0,0,1,0,0|1,0,0]=4 112 B12R1.260 CC(CC(=O)O)NC1CCCC1 AIFCHEM-94541525432 [1,1,0,1,0,0|1,0,0]=4 113 B12R1.260 C[C@@H](CC(=O)O)NC1CCCC1 AIFCHEM-94541526674 [1,1,0,1,0,0|1,0,0]=4 114 B12R1.260 C[C@H](CC(=O)O)NC1CCCC1 AIFCHEM-94541528953 [1,1,0,1,0,0|1,0,0]=4 115 B12R1.1376 CC(CC(=O)O)NCC1CCC1 AIFCHEM-94575295297 [1,1,0,1,0,0|1,0,0]=4 116 B12R1.1376 C[C@@H](CC(=O)O)NCC1CCC1 AIFCHEM-94577117554 [1,1,0,1,0,0|1,0,0]=4 117 B12R1.1376 C[C@H](CC(=O)O)NCC1CCC1 AIFCHEM-94599625162 [1,1,0,1,0,0|1,0,0]=4 118 B12R1.477 COC(=O)CCNC1CCCC1 AIFCHEM-94541525880 [1,1,0,1,0,0|1,0,0]=4 119 B14R1.37 CCCCCNC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-94552832348 [0,2,0,1,0,0|1,0,0]=4 120 B14R1.418 O=C(O)NCCNC(=O)C1CCCC1 AIFCHEM-94535754949 [0,2,0,1,0,0|1,0,0]=4 121 B14R1.760 CCCCN1CC(=O)NCC1C(=O)O AIFCHEM-94523033835 [0,2,0,1,0,0|1,0,0]=4 122 B14R1.729 COC(=O)CCNC(=O)C1CCCC1 AIFCHEM-6130472649 [0,2,0,1,0,0|1,0,0]=4 123 B14R1.7758 COC(=O)CCC(=O)NCC1CCC1 AIFCHEM-94536874030 [0,2,0,1,0,0|1,0,0]=4