0 B9R0.19 C=CC(C)(C)C(=O)OCC T214299 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.19 CCOC(=O)C(C)(Br)CBr S361631 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.19 CCOC(=O)C(C)(C)C#N S762083 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.19 CCOC(=O)C(C)(C)CN CDS009124 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.3 CCCC(=O)C(Br)CC PH011136 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.3 CCCC(O)C(C)CC S412430 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.3 CCOC(=O)C(Cl)CC S918407 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.3 CCOC(=O)C(F)CC S431370 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.13 CCC(C)C(C)(O)CC S411892 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.13 CNC(=O)C(C)(C)NC CDS021433 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.13 COC(=O)C(C)(Br)CBr S881287 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.14 CCCC(C)C(C)(C)O S433187 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.14 CCNC(=O)C(C)(C)O S536970 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.25 CCCCC(C)(O)CC S433217 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.36 CCOC(=O)C(C)(C)[N+](=O)[O-] S917923 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.130 CCOC(=O)C(O)(CC)CC S385484 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.230 CC1(CCCCC1=O)CO T183903 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.300 O=C1NCCCCC1(Br)Br S871486 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.300 O=C1NCCCCC1(Cl)Cl R429457 [0,0,0,1,0,0|3,0,0]=4 23 B10R0.7 C=CC(C)(C)CC(=O)OCC T278440 [0,0,0,0,0,1|1,0,2]=4 24 B10R0.7 CCOC(=O)NC(C)(C)CO S361739 [0,0,0,0,0,1|2,0,0]=3 25 B7R0.3 CCCSC(C)CC S570672 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.3 CCOCC(O)CCl S379220 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.5 C=C(CCC)C(C)C R289221 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.5 CC/C=C(\C)/C(C)C R289558 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.5 CCOC(=O)C(Br)Br PH011431 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.5 CCOC(=O)C(C)N CDS015013 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.5 CCOC(=O)N(C)C PH001938 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.5 CCOC(=O)N(C)N PH007944 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.5 COCC(=O)C(C)C CDS024045 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.7 CCCS(=O)CCC S440973 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.7 CCOC(=O)CCI T255378 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.7 CCOC(=O)CNC PH000310 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.7 CCOC(=O)CNN CDS009912 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.7 CCOC(=O)NNC PH007943 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.7 CCOC(=O)NOC PH005154 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 CCSC(=O)SCC S189634 [2,0,0,0,0,0|1,1,0]=4 41 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [2,0,0,0,0,0|0,0,2]=4 42 B7R0.10 CCC(=O)C(O)CC CDS000463 [2,0,0,0,0,0|0,0,0]=2 43 B7R0.10 CNC(C)C(=O)OC CBR01417 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.10 COC(=O)[C@H](N)CS PH013124 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.11 CCCC(C)(C)CC R289418 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.11 CCCC(C)(O)CC S426865 [2,0,0,0,0,0|0,0,1]=3 49 B7R0.13 CC(Br)(CBr)C(=O)O S881317 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.13 CCC(C)(O)C(=O)C PH007065 [2,0,0,0,0,0|0,0,0]=2 52 B7R0.13 COC(C)(C)C(=O)O CDS009439 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.14 CC(C)(O)C(=O)NN S677418 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.8 CCNCC(C)(C)O S373400 [2,0,0,0,0,0|1,0,1]=4 56 B9R0.6 CCOC(=O)C(Br)C(C)Br S361623 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.6 CCOC(=O)C(Br)C(C)C CDS001494 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.8 CCCCC(=O)C(C)CC S431486 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [1,1,0,0,0,0|0,0,0]=2 60 B9R0.23 CC(C)OC(=O)C(N)CO S949876 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.35 CCCC(=O)C(O)CCC S705500 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.35 CCOC(=O)C(C)N=C=O PH010972 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.37 CCCC(=O)C(CC)CC S504769 [1,1,0,0,0,0|1,0,0]=3 65 B9R0.37 CCOC(=O)/C(=N/O)/CC S837296 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.37 CCOC(=O)C(CC)CN PH016204 [1,1,0,0,0,0|0,0,0]=2 67 B9R0.37 CCOC(=O)N(CC)OC PH008534 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.32 CC(C)C(=O)C(C)(C)CO PH007270 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.64 CCC(C)(O)CCC(C)C S504955 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.67 CCCCC(O)(CC)CC S412031 [1,1,0,0,0,0|1,0,1]=4 71 B11R0.240 CCOC(=O)C(C)(C)C[N+](=O)[O-] S918431 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.3 CC1CCCC(=O)C1C CDS023514 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.74 CCOC(=O)C1(CC1)C PH015344 [1,0,0,1,0,0|0,0,0]=2 75 B9R1.74 CCOC(=O)C1(CC1)N MNO000004 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.183 CCOC(=O)C1CC1C R425907 [1,0,0,1,0,0|0,0,0]=2 77 B9R1.183 CCOC(=O)C1OC1C S462349 [1,0,0,1,0,0|0,0,0]=2 78 B9R1.202 C[C@@]1(CCCC1=O)CO T218286 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.40 CC1(CCCCC1O)O S352799 [1,0,0,1,0,0|0,0,2]=4 80 B9R1.40 CC1(CNCCC1=O)C PHB00252 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.38 CC1CC(C(=O)O1)(C)C PH002288 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.38 N1C(=O)C(CC1C)(C)C S950912 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.118 CCC1(CCCCC1)O S408468 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.118 CCC1(CCCNC1)O CBR00014 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.148 CC1(CCCCCC1)O S411949 [1,0,0,1,0,0|1,0,1]=4 86 B11R1.817 CCOC(=O)C1OC1(C)CC S374415 [0,0,0,1,0,1|0,0,0]=2 87 B11R1.511 CC1CCC(C(C1=O)(C)C)C S942162 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.819 CCOC(=O)C1(CCCC1)C PH014835 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.819 CCOC(=O)C1(CCCC1)O CDS020968 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.297 CCC(O)(CC)C1=CCCO1 T244368 [0,1,0,1,0,0|1,0,0]=3 91 B11R2.210 CCC12CC1CCCC2=O T293164 [0,0,0,2,0,0|2,0,0]=4 92 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [1,0,0,0,0,1|1,0,1]=4 93 B9R0.44 CCCC(=O)OC(C)(C)C PH007526 [1,0,0,0,0,1|2,0,0]=4 94 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [1,0,0,0,0,1|1,0,0]=3 95 B9R0.44 CCOC(=S)SC(C)(C)C S261106 [1,0,0,0,0,1|1,1,0]=4