0 B9R0.1 COC(=O)\C=C\CC(C)C 011191 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 C=CC(=O)OCCCC 099438 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.6 CCCCCC(=O)NN 045795 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.6 CCCCCC(=O)OC 103044 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.6 CCCSCC(=O)OC 095137 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.6 COC(=O)CCCCBr 210250 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.6 COC(=O)CCCCI 103067 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.7 CCCCCCC(C)N 242674 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CCCCCCN(C)C 046920 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.7 CN(C)CCOCCO 437714 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(=O)CCC=C(C)C 242741 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.28 CC(=O)CCCC(C)C 242651 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.28 CC(=O)NCCC(C)C 341839 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.28 CC(=O)OCC=C(C)C 241095 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.28 CC(=O)OCCC(C)C 106519 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.28 CC(C)CCCC(=O)O 002773 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.28 CC(C)CCCC(C)N 097752 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.28 CC(C)CCCC(C)N 101453 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(C)CCO[N+](=O)[O-] 341782 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.28 CC(C)CSCC(=O)O 042364 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.28 CN(C)CCCC(=O)O 236794 [1,0,0,0,0,0|3,0,0]=4 21 B10R0.3 CCCC(=O)OCCC(C)C 240937 [0,1,0,0,0,0|0,0,0]=1 22 B10R0.98 C=C(C)C(=O)OCCN(C)C 133400 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.13 CC(C)C1CCC(O)CC1 237941 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.13 CC(C)N1CCC(=O)CC1 068875 [0,0,0,1,0,0|2,0,0]=3 25 B8R0.9 COC(=O)CCC(C)=O 099360 [0,0,0,0,1,0|2,0,1]=4 26 B8R0.9 COC(=O)CSC(C)C 095097 [0,0,0,0,1,0|2,0,0]=3 27 B8R0.9 COC(=O)\C=C\C(C)C 011190 [0,0,0,0,1,0|1,0,2]=4 28 B10R0.55 CCC(C)NCCNC(C)C 024599 [0,0,0,0,0,1|2,0,1]=4 29 B7R0.1 CCCCCCCC 162200 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.1 CCCCNCCC 099392 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.1 CCCCOCCO 349293 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.3 CCC(=O)NCCO 402339 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.3 CCCCC(=O)OC 103432 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.3 CCSCC(=O)OC 094646 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.3 COC(=O)CCCBr 214657 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.3 COC(=O)CCCCl 386752 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.3 COC(=O)CCCI 336691 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 COC(=O)CCCN 009954 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.3 COCCC(=O)OC 349308 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 CC(=O)CCCCCl 240931 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 CC(=S)OCCCCl 102394 [2,0,0,0,0,0|1,1,0]=4 42 B7R0.4 CC(C)CCNC=O 104304 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.4 CC(C)CCON=O 046832 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 CCCCCC(=O)Cl 099325 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CCCCCC(=O)O 066626 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CCCCCC(C)=O 104307 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 CCCCCC(C)O 235688 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 CCCCNC(C)=O 103568 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.4 CCCCOC(C)=O 098991 [2,0,0,0,0,0|0,0,0]=2 50 B7R0.4 CCCCOC(C)=O 102158 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.4 CCNCCN(C)C 402341 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 COCCOC(=O)Cl 153600 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.5 CCCCCC(=O)OCC 103045 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.5 CCCCOC(=O)CCS 520900 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.5 CCOC(=O)CCCCBr 078683 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.5 CCOC(=O)CCCCI 103069 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.8 CCCCC(Br)C(=O)OC BR1274 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.8 CCCCC(N)C(=O)OC 226410 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.46 COC(=O)CCCCCBr 240729 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.46 COC(=O)CCCCCN 079812 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.47 C=C(C)C(=O)OCCCC 106345 [1,1,0,0,0,0|0,0,1]=3 62 B9R0.47 C=C(C)C(=O)OCCOC 106347 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.53 CC(=O)CC(=O)CC(C)C 156900 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 040136 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.56 CC(=O)OCC[Si](C)(C)Cl S00014 [1,1,0,0,0,0|0,1,0]=3 66 B9R0.23 COC(=O)C(N)CC(C)C 003822 [0,1,0,0,1,0|1,0,0]=3 67 B9R0.42 COC(=O)CC(=O)C(C)C 014783 [0,1,0,0,1,0|1,0,1]=4 68 B11R0.1 CCOC(=O)CC(=O)CC(C)C 209598 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 104337 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.119 COC(=O)CC(C)CC(C)(C)C 106924 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.84 CC(C)CCNC(=O)C(F)(F)F 104303 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.1 CCC1CCC(=O)CC1 078867 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.1 CCN1CCC(=O)CC1 044296 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.1 COC1CCC(=O)CC1 043424 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.5 NC1CCCCNC1=O 011374 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.5 N[C@H]1CCCCNC1=O 011373 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.11 CNC(=O)C1CCCC1 370963 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.11 COC(=O)C1CCCC1 067089 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.11 COC(=O)N1CCCC1 061535 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.11 NCC(=O)N1CCCC1 024983 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.11 O=C(CCl)N1CCCC1 024631 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.49 CN1CCCC(=O)CC1 069080 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.50 O=C1CCCCCCC1 237170 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.35 CC(C)[C@@H]1COC(=O)N1 092262 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.35 CC(C)[C@H]1COC(=O)N1 208760 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.66 CC1(C)CC(=O)CCO1 043695 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.10 CC1(C)C=CC(=O)CC1 013544 [0,0,0,1,1,0|0,0,2]=4 89 B9R1.10 CC1(C)CCC(=O)CC1 077611 [0,0,0,1,1,0|0,0,0]=2 90 B9R1.10 CC1(C)COC(=O)OC1 341785 [0,0,0,1,1,0|1,0,0]=3 91 B9R1.10 O=C1CCC(F)(F)CC1 044463 [0,0,0,1,1,0|2,0,0]=4 92 B9R1.69 CC1CN(C)CCC1=O 011704 [0,0,0,1,1,0|1,0,0]=3 93 B9R1.138 CC1(C)COC(=O)[C@@H]1O 337172 [0,0,0,1,1,0|1,0,0]=3 94 B9R1.138 CN1C(=O)OCC1(C)C 095043 [0,0,0,1,1,0|1,0,0]=3 95 B11R1.20 CC(C)CN1CCC(=O)CC1 224343 [0,0,0,1,0,1|1,0,0]=3 96 B11R1.22 CC1CCN(C(=O)CCl)CC1 041977 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.19 CC(C)(C)C1CCC(=O)CC1 242657 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.220 CC1=CCC(O)(C(C)C)CC1 383501 [0,1,0,1,0,0|2,0,0]=4 99 B11R2.39 [C@H]12CC(C)=CC[C@H]1C2(C)C 461210 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.533 CC1=CCC2CC1C2(C)C 102595 [0,0,0,2,0,0|2,0,0]=4 101 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C 103460 [0,0,0,2,0,0|2,0,0]=4 102 B11R2.533 [C@H]12CCC(=C)[C@H](C1)C2(C)C 448645 [0,0,0,2,0,0|2,0,0]=4 103 B7R0.6 CC(=O)CCC(C)=O 494125 [1,0,0,0,1,0|1,0,1]=4 104 B7R0.6 CC(=O)CCC(C)C 106440 [1,0,0,0,1,0|0,0,0]=2 105 B7R0.6 CC(=O)CCN(C)C 043224 [1,0,0,0,1,0|1,0,0]=3 106 B7R0.6 CC(=O)NCC(C)C 103683 [1,0,0,0,1,0|1,0,0]=3 107 B7R0.6 CC(=O)OCC(C)C 095004 [1,0,0,0,1,0|0,0,0]=2 108 B7R0.6 CC(C)COC(=O)Cl 046752 [1,0,0,0,1,0|1,0,0]=3 109 B7R0.6 CC(C)SCC(=O)O 311009 [1,0,0,0,1,0|2,0,0]=4 110 B7R0.6 CN(C)CCC(=O)O 046799 [1,0,0,0,1,0|2,0,0]=4 111 B7R0.2 CC(C)NC(=O)CCl 307988 [0,0,0,0,2,0|2,0,0]=4 112 B7R0.2 COC(=O)CC(C)C 046834 [0,0,0,0,2,0|1,0,0]=3 113 B7R0.2 COC(=O)CN(C)C 099922 [0,0,0,0,2,0|2,0,0]=4 114 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,0,0,0,2,0|2,0,0]=4 115 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,0,0,0,2,0|2,0,0]=4