News
Oct 31st, 2017
The results are now available. Oct 30th, 2017
The solutions are now available. Sept 8th, 2017
Update for Challenge 15 available, but will not count in evaluation. Sept 4th, 2017
Updated mailling list and submission information. Aug 23rd, 2017
The preliminary results have been sent out to participants, and are now available. July 09th, 2017
We fixed the intensities in the TSV archive for challenges 046-243. June 22nd, 2017
We added the Category 4 on a subset of the data files. May 22nd, 2017
We have improved challenges 29, 42, 71, 89, 105, 106 and 144. April 26th, 2017
The rules and challenges of CASMI 2017 are public now ! Jan 20th, 2017
Organisation of CASMI 2017 is underway, stay tuned!
Oct 31st, 2017
The results are now available. Oct 30th, 2017
The solutions are now available. Sept 8th, 2017
Update for Challenge 15 available, but will not count in evaluation. Sept 4th, 2017
Updated mailling list and submission information. Aug 23rd, 2017
The preliminary results have been sent out to participants, and are now available. July 09th, 2017
We fixed the intensities in the TSV archive for challenges 046-243. June 22nd, 2017
We added the Category 4 on a subset of the data files. May 22nd, 2017
We have improved challenges 29, 42, 71, 89, 105, 106 and 144. April 26th, 2017
The rules and challenges of CASMI 2017 are public now ! Jan 20th, 2017
Organisation of CASMI 2017 is underway, stay tuned!
Challenge Solutions CASMI 2017
This page shows the structures of the challenges. Category 1 comprised
the challenges 1-45, category 4 comprises challenges 46-243,
and the categories 2 and 3 are about all challenges 1-243.
The information is also available as
CSV for download
| Challenge | InChIkey | Structure | PubChem CID | PubChem | ChemSpider ID | ChemSpider | InChI | SMILES |
|---|---|---|---|---|---|---|---|---|
| challenge-001 | UQGVUYNHDKMLSE-UHFFFAOYSA-N | | 9838356 | 
| 8014076 | | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2 | c1cc(ccc1C1COc2cc(cc(c2C1=O)O)O)O |
| challenge-002 | SWPKMTGYQGHLJS-JXMROGBWSA-N | | 11186786 | 
| 9361870 | | InChI=1S/C21H22O4/c1-13(2)14(3)18-11-16(21(25-4)12-20(18)24)7-10-19(23)15-5-8-17(22)9-6-15/h5-12,14,22,24H,1H2,2-4H3/b10-7+ | C=C(C)C(C)c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC |
| challenge-003 | YMZWKEYJSYDVKL-PKNBQFBNSA-N | | 1376042 | 
| 1150995 | | InChI=1S/C19H21NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-9+ | COc1ccc(CCN=C(/C=C/c2ccccc2)O)cc1OC |
| challenge-004 | OBWHQJYOOCRPST-UHFFFAOYSA-N | | 5281611 | 
| 4444930 | | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H | c1cc(ccc1c1c(c(=O)c2ccc(cc2o1)O)O)O |
| challenge-005 | RGNXWPVNPFAADO-NSIKDUERSA-N | | 5281295 | 
| 4444681 | | InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6- | c1cc(c(cc1/C=C\1/C(=O)c2ccc(cc2O1)O)O)O |
| challenge-006 | PVFGJHYLIHMCQD-UHFFFAOYSA-N | | 5322065 | 
| 4479651 | | InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H | c1cc(c(cc1c1cc(=O)c2ccc(cc2o1)O)O)O |
| challenge-007 | KZNIFHPLKGYRTM-UHFFFAOYSA-N | | 5280443 | 
| 4444100 | | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | c1cc(ccc1c1cc(=O)c2c(cc(cc2o1)O)O)O |
| challenge-008 | QJKMIJNRNRLQSS-WEVVVXLNSA-N | | 6442675 | 
| 4946739 | | InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+ | COc1cc(ccc1/C=C/C(=O)c1ccc(cc1)O)O |
| challenge-009 | MEHHCBRCXIDGKZ-UHFFFAOYSA-N | | 10246505 | 
| 8421992 | | InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3 | CC(=CCc1c(cc(c2c(=O)cc(c3ccc(cc3)O)oc12)O)O)C |
| challenge-010 | SWGUPFWFYUMIGH-CYBMUJFWSA-N | | 171125 | 
| 149603 | | InChI=1S/C13H22N2O/c1-11(16)15-9-5-6-12(10-15)13-7-3-4-8-14(13)2/h10,13H,3-9H2,1-2H3/t13-/m1/s1 | CC(=O)N1CCCC(=C1)[C@H]1CCCCN1C |
| challenge-011 | UHJZITVWXGMYKV-SOFGYWHQSA-O | | InChI=1S/C15H21NO4/c1-16(2,3)9-10-20-15(18)8-6-12-5-7-14(19-4)13(17)11-12/h5-8,11H,9-10H2,1-4H3/p+1/b8-6+ | C[N+](C)(C)CCOC(=O)/C=C/c1ccc(c(c1)O)OC | ||||
| challenge-012 | MKYLOMHWHWEFCT-WUCCLRPBSA-N | | InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12?,13?,14-,15-/m0/s1 | CO[C@H]1C=C2C3CN(Cc4cc5c(cc34)OCO5)C2C[C@@H]1O | ||||
| challenge-013 | ZZAJQOPSWWVMBI-UHFFFAOYSA-N | | 5280448 | 
| 4444104 | | InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 | COc1ccc(cc1O)c1coc2cc(ccc2c1=O)O |
| challenge-014 | RGNXWPVNPFAADO-NSIKDUERSA-N | | 5281295 |
| 4444681 | | InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6- | c1cc(c(cc1/C=C\1/C(=O)c2ccc(cc2O1)O)O)O |
| challenge-015 | OBWHQJYOOCRPST-UHFFFAOYSA-N | | 5281611 |
| 4444930 | | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H | c1cc(ccc1c1c(c(=O)c2ccc(cc2o1)O)O)O |
| challenge-016 | CTUJEHJOZXGIIE-UHFFFAOYSA-N | | 14104288 | 
| InChI=1S/C21H22O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,19-20,22-23,25H,9H2,1-3H3 | CC(=CCc1c(cc(c2C(=O)C(C(c3ccc(cc3)O)Oc12)O)OC)O)C | ||
| challenge-017 | UDGKKUWYNITJRX-UHFFFAOYSA-N | | 442342 | 
| 390795 | | InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2 | c1cc(ccc1CCC(=O)c1ccc(cc1O)O)O |
| challenge-018 | OLRXRLGFFNYRIM-QOAKVELXSA-N | | 11036345 | 
| 9211519 | | InChI=1S/C24H30O4/c1-15(2)8-6-9-16(3)10-7-13-24(5)17(4)21-22(28-24)19-12-11-18(25)14-20(19)27-23(21)26/h8,10-12,14,17,25H,6-7,9,13H2,1-5H3/b16-10+/t17-,24+/m0/s1 | CC(=CCC/C(=C/CC[C@]1(C)[C@@H](C)c2c(c3ccc(cc3oc2=O)O)O1)/C)C |
| challenge-019 | BMFMQGXDDJALKQ-UHFFFAOYSA-N | | 239955 | 
| 209618 | | InChI=1S/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9) | C(CC(C(=O)O)O)CNC(=N)N |
| challenge-020 | LJIDRFNRDLYHNC-UHFFFAOYSA-N | | 21574476 | 
| 10182421 | | InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2 | C1CC(=O)N2CCc3cc(c(cc3C12)O)O |
| challenge-021 | XQOAEAAPVIEAEK-UHFFFAOYNA-N | | InChI=1/C13H16N2O/c1-8-12-11(16)4-3-10-13(12)9(7-14-10)5-6-15(8)2/h3-4,7-8,14,16H,5-6H2,1-2H3 | CC1c2c(ccc3c2c(CCN1C)c[nH]3)O | ||||
| challenge-022 | VPAXJOUATWLOPR-UHFFFAOYNA-N | | InChI=1/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20H,9,11-12,14H2,1-4H3 | CC1=CCC2C(C)(C)C(=O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1 | ||||
| challenge-023 | CLWOXNLVWMXBRD-QGZVFWFLSA-O | | 53266 | 
| 48111 | | InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1 | C[N+]1(C)CCc2cc(c(cc2[C@H]1Cc1ccc(cc1)O)O)OC |
| challenge-024 | MBFUSGLXKQWVDW-UHFFFAOYNA-N | | InChI=1/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2 | C1CNCc2cc(c(cc12)O)O | ||||
| challenge-025 | NDWAUKFSFFRGLF-UHFFFAOYNA-N | | InChI=1/C10H13N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H,14,18)(H2,11,12,13) | C1C(C(CO)OC1n1c2c(c(N)ncn2)nc1O)O | ||||
| challenge-026 | TUUXBSASAQJECY-UHFFFAOYSA-N | | 5318980 | 
| 4477409 | | InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3 | CC(=CCc1c(cc(c2c(=O)c(c(c3ccc(cc3)OC)oc12)O)O)O)C |
| challenge-027 | AAVMGRPGPSSZBQ-FOOXYVKASA-N | | InChI=1S/C18H27NO7/c1-10(2)13-15(21)26-12-5-7-19-6-4-11(14(12)19)8-25-16(22)18(24,9-20)17(13,3)23/h4,10,12-14,20,23-24H,5-9H2,1-3H3/t12-,13+,14-,17-,18+/m1/s1 | CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](CO)([C@]1(C)O)O)[C@H]23 | ||||
| challenge-028 | XGCIVVYTCDKDLC-UHFFFAOYSA-N | | 145879 | 
| 128692 | | InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16) | c1ccc2c(c1)c1CCNC(c1[nH]2)C(=O)O |
| challenge-029 | NSEWTSAADLNHNH-LSBOWGMISA-N | | 124025 | 
| InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1 | c1cc(c(cc1[C@@H]1[C@@H](Cc2c(cc3c([C@H]4c5c(cc(cc5O[C@](c5ccc(c(c5)O)O)([C@@H]4O)O3)O)O)c2O1)O)O)O)O | ||
| challenge-030 | AYHOUUNTAVCXBN-ZDUSSCGKSA-N | | 52945930 | 
| InChI=1S/C15H12O6/c16-8-1-7(2-9(17)3-8)13-6-12(20)15-11(19)4-10(18)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1 | c1c(cc(cc1O)O)[C@@H]1CC(=O)c2c(cc(cc2O1)O)O | ||
| challenge-031 | OJXQLGQIDIPMTE-UHFFFAOYSA-N | | 5281633 | 
| 4444952 | | InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3 | CC(=CCc1c(c(CC=C(C)C)c2c(c1O)c(=O)c1c(ccc(c1o2)O)O)O)C |
| challenge-032 | SUYJZKRQHBQNCA-LSDHHAIUSA-N | | 73202 | 
| 65962 | | InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1 | c1ccc(cc1)[C@@H]1[C@H](C(=O)c2c(cc(cc2O1)O)O)O |
| challenge-033 | OXFCHVUTODNYNS-MMARFKMCNA-N | | InChI=1/C19H20O7/c1-17-15-12(26-16(17)22)4-9-10(5-11(20)8-2-3-24-14(8)9)18(15)6-13(21)19(17,23)25-7-18/h2-3,9-10,12-13,15,21,23H,4-7H2,1H3/t9-,10-,12-,13+,15?,17+,18+,19+/m1/s1 | C[C@]12C3[C@@H](C[C@@H]4[C@@H](CC(=O)c5ccoc45)[C@]43C[C@@H]([C@]2(O)OC4)O)OC1=O | ||||
| challenge-034 | KGRQDFZHUBOWKM-PNMPORGGSA-N | | InChI=1S/C19H22O6/c1-17-15-13(25-16(17)21)6-10-11(3-2-9-12(20)7-23-14(9)10)18(15)4-5-19(17,22)24-8-18/h10-11,13,15,22H,2-8H2,1H3/t10?,11?,13-,15?,17+,18+,19-/m1/s1 | C[C@]12C3[C@@H](CC4C(CCC5=C4OCC5=O)[C@]43CC[C@@]2(O)OC4)OC1=O | ||||
| challenge-035 | TURJFYBHQNTMCA-PUQWFUBYSA-N | | InChI=1S/C22H30O6/c1-7-12(2)19(24)28-22(6)15-10-11-21(5)16(26-14(4)23)9-8-13(3)17(21)18(15)27-20(22)25/h7-8,15-18H,9-11H2,1-6H3/b12-7-/t15-,16-,17+,18?,21-,22+/m1/s1 | C/C=C(/C)\C(=O)O[C@@]1(C)[C@@H]2CC[C@]3(C)[C@@H](CC=C(C)[C@H]3C2OC1=O)OC(=O)C | ||||
| challenge-036 | UXYJCYXWJGAKQY-UHFFFAOYSA-N | | 6770 | 
| InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2 | c1cc2c(c3CN4CCc5cc6c(cc5C4Cc13)OCO6)OCO2 | ||
| challenge-037 | CVWWNYPTZYQCSE-GANZUKCXSA-N | | 3037129 | 
| 2300953 | | InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/t16-,20+,24-/m0/s1 | CC(=C1CC[C@H](C)[C@](C)(COc2ccc3ccc(=O)oc3c2)[C@@H]1CCC(=O)O)C |
| challenge-038 | KAZSKMJFUPEHHW-DHZHZOJOSA-N | | 5318998 | 
| 4477422 | | InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC |
| challenge-039 | NLTOTZSPOYWSSP-UHFFFAOYSA-N | | 10064832 | 
| 8240372 | | InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3 | CC(=CCc1cc(ccc1O)C1CC(=O)c2ccc(cc2O1)O)C |
| challenge-040 | GMISZFQPFDAPGI-CVJZBMGUSA-N | | 124017 | 
| InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1 | c1cc(c(cc1[C@@H]1[C@@H](Cc2c(cc(c([C@H]3c4c(cc(cc4O[C@H](c4ccc(c(c4)O)O)[C@@H]3O)O)O)c2O)O)O1)O)O)O | ||
| challenge-041 | RFKQJTRWODZPHF-UHFFFAOYSA-N | | 34781 | 
| 32006 | | InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1 | Cc1c2ccc(c(c2c[n+]2CCc3cc(c(cc3c12)OC)OC)OC)OC |
| challenge-042 | HHYDHYFLWRDXDR-UHFFFAOYSA-N | | InChI=1S/C9H18N4O3/c1-6(14)13-7(8(15)16)4-2-3-5-12-9(10)11/h7H,2-5H2,1H3,(H,13,14)(H,15,16)(H4,10,11,12) | CC(=NC(CCCCNC(=N)N)C(=O)O)O | ||||
| challenge-043 | GAQDMHWCRNJIAM-UHFFFAOYSA-N | | InChI=1S/C18H18N2O2/c1-20-9-8-12-10-19-14-6-7-15(22)17(16(12)14)18(20)11-2-4-13(21)5-3-11/h2-7,10,18-19,21-22H,8-9H2,1H3 | CN1CCc2c[nH]c3ccc(c(c23)C1c1ccc(cc1)O)O | ||||
| challenge-044 | NBTGSOZRJDICGG-UHFFFAOYSA-N | | 83137642 | 
| InChI=1S/C7H11N3O/c8-7-9-6(11)5-3-1-2-4-10(5)7/h5H,1-4H2,(H2,8,9,11) | C1CCN2C(C1)C(=NC2=N)O | ||
| challenge-045 | FDAWAVAMGFJKMH-WQYXIULCSA-N | | InChI=1S/C22H27NO9/c1-30-16-7-11(18-12-8-14(26)13(25)6-10(12)4-5-23-18)2-3-15(16)31-22-21(29)20(28)19(27)17(9-24)32-22/h2-3,6-8,17-29H,4-5,9H2,1H3/t17?,18?,19-,20?,21+,22-/m1/s1 | COc1cc(ccc1O[C@H]1[C@H](C([C@@H](C(CO)O1)O)O)O)C1c2cc(c(cc2CCN1)O)O | ||||
| challenge-046 | RNPABQVCNAUEIY-UHFFFAOYSA-N | | 409814 | 
| 362684 | | InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1 | C1[C@@H]([C@@]2([C@@H]3[C@](C1)([C@@]1([C@@H]([C@@H](C3)O)[C@]3([C@@H](C1)[C@H]1[C@H]([C@H]([C@@H]3O)O)[C@@]([C@H]3N(C1)C[C@H](CC3)C)(O)C)O)O2)C)O)O |
| challenge-047 | PSFMBXYUQFAGAM-QPJJXVBHSA-N | | 45783211 | 
| InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+ | C1(C(C(C(C(O1)OC1C(C(C(OC1OC1C(C(OC(C1O)OCCc1ccc(c(c1)O)O)COC(=O)/C=C/c1cc(c(cc1)O)O)O)C)O)O)O)O)O)CO | ||
| challenge-048 | QDFJNOVWEADTGJ-UHFFFAOYSA-N | | 44257459 | 
| InChI=1S/C16H14O5/c1-19-12-5-4-10-15-11(7-20-16(10)14(12)18)9-3-2-8(17)6-13(9)21-15/h2-6,11,15,17-18H,7H2,1H3/t11-,15-/m0/s1 | c1c(c(c2c(c1)[C@H]1[C@@H](CO2)c2c(O1)cc(cc2)O)O)OC | ||
| challenge-049 | GWVCYAYKRPLWGK-AAMZJHKISA-N | | 23872020 | 
| InChI=1S/C20H32O4/c1-16(2)7-4-11-19(20(23)24)12-6-9-17(3)8-5-10-18(15-22)13-14-21/h7-8,12-13,21-22H,4-6,9-11,14-15H2,1-3H3,(H,23,24)/b17-8+,18-13-,19-12+ | CC(=CCC/C(=C\CC/C(=C/CC/C(=C/CO)/CO)/C)/C(=O)O)C | ||
| challenge-050 | LIVNOUBJFOXZOR-UHFFFAOYSA-N | | 22298424 | 
| 20058524 | | InChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1cc(ccc1CCC(=O)O)OC |
| challenge-051 | LXAMCLNOVGHDMD-UHFFFAOYSA-N | | 23815373 | 
| InChI=1S/C47H74O16/c1-21-29(50)31(52)33(54)40(59-21)61-35-34(55)36(38(56)57)62-41(37(35)63-39-32(53)30(51)24(48)20-58-39)60-28-13-14-45(7)25(43(28,4)5)12-15-47(9)26(45)11-10-22-23-18-42(2,3)19-27(49)44(23,6)16-17-46(22,47)8/h10-11,21,24-37,39-41,48-55H,12-20H2,1-9H3,(H,56,57) | C1(C(C(C(C(O1)OC1C(C(OC(C1OC1C(C(C(CO1)O)O)O)OC1CCC2(C(C1(C)C)CCC1(C2C=CC2=C3C(CCC12C)(C(CC(C3)(C)C)O)C)C)C)C(=O)O)O)O)O)O)C | ||
| challenge-052 | JZEZLAAJRKPOFM-UHFFFAOYSA-N | | 60208889 | 
| InChI=1S/C21H30O4/c1-11(22)15-6-7-16-14-5-4-12-8-13(23)9-18(25)21(12,3)19(14)17(24)10-20(15,16)2/h4,6,13-14,16-19,23-25H,5,7-10H2,1-3H3 | C1C(CC2=CCC3C(C2(C1O)C)C(CC1(C3CC=C1C(=O)C)C)O)O | ||
| challenge-053 | FFDULTAFAQRACT-UHFFFAOYSA-N | | 226371 | 
| InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29-,30-,33-,34-/m0/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1c(cc([C@@H]2OC[C@H]3[C@@H]2CO[C@H]3c2cc(c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)c(c2)OC)OC)cc1OC)OC | ||
| challenge-054 | WDMQLCVSWBENIY-UHFFFAOYSA-N | | 336014 | 
| 297781 | | InChI=1S/C21H30O13/c1-7-5-10(23)21(34-20-17(29)14(26)12(24)8(2)31-20)3-4-30-18(11(7)21)33-19-16(28)15(27)13(25)9(6-22)32-19/h3-5,8-9,11-20,22,24-29H,6H2,1-2H3/t8-,9+,11-,12-,13+,14+,15-,16+,17+,18-,19-,20-,21+/m0/s1 | [C@@]12([C@H]([C@@H](OC=C1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=CC2=O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O |
| challenge-055 | PKZLCDIEFSFXDK-UHFFFAOYSA-N | | 14585037 | 
| InChI=1S/C44H68O19/c1-19-39(63-41-38(53)36(51)34(49)29(62-41)18-57-40-37(52)35(50)33(48)28(16-45)61-40)26(55-5)14-31(58-19)60-23-8-10-42(3)22(13-23)6-7-25-24(42)9-11-43(4)32(21-12-30(47)56-17-21)27(59-20(2)46)15-44(25,43)54/h12,19,22-29,31-41,45,48-54H,6-11,13-18H2,1-5H3/t19-,22?,23+,24?,25?,26-,27+,28-,29-,31+,32+,33-,34-,35+,36+,37-,38-,39+,40-,41?,42+,43-,44?/m1/s1 | C1[C@@H](CC2[C@](C1)(C1C(CC2)C2([C@](CC1)([C@H]([C@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C | ||
| challenge-056 | JSXYBZIRJXMIMK-UHFFFAOYSA-N | | 57509504 | 
| InChI=1S/C20H30O4/c1-5-17(2)11-14(21)20(12-17)10-7-13-18(3,15(20)22)8-6-9-19(13,4)16(23)24/h5,13-14,21H,1,6-12H2,2-4H3,(H,23,24) | C1CC(C2C(C1)(C(=O)C1(CC2)C(CC(C1)(C)C=C)O)C)(C)C(=O)O | ||
| challenge-057 | IBIPGYWNOBGEMH-UHFFFAOYSA-N | | 233330 | 
| 203427 | | InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 | [C@H]1(OC=C2[C@@H]3[C@H]1C(=C[C@@H]3OC2=O)COC(=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
| challenge-058 | VYQXIUVIYICVCM-UHFFFAOYSA-N | | 10466989 | 
| 8642400 | | InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3 | c1c(cc(cc1O)CCc1cccc(c1)O)OC |
| challenge-059 | IJRBORPEVKCEQD-UHFFFAOYSA-N | | 12312687 | 
| InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16?,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1 | [C@H]1([C@@H](C[C@@H]2[C@](C1)(C1C(=CC2=O)[C@]2([C@](CC1)([C@H](CC2)[C@](O)(C)[C@@H](C[C@H](C(C)(C)O)C)O)C)O)C)O)O | ||
| challenge-060 | UUZWMJQAEYBHAO-UHFFFAOYSA-N | | 13995409 | 
| InChI=1S/C15H22O4/c1-14(2)4-9-11(6-14)15(3,18)5-8-10(12(9)16)7-19-13(8)17/h9,11-12,16,18H,4-7H2,1-3H3 | C12=C(C(=O)OC1)CC(C1C(C2O)CC(C1)(C)C)(C)O | ||
| challenge-061 | IHFBPDAQLQOCBX-UHFFFAOYSA-N | | 5281628 | 
| 4444947 | | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 | c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)OC)O |
| challenge-062 | PASZRDILCDRSOZ-UHFFFAOYSA-N | | 56776297 | 
| InChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,8-11,20-22H,6-7,12-14H2,1H3 | c1c(ccc(c1)CCC(CC(=O)CCc1ccc(cc1)O)OC)O | ||
| challenge-063 | WBEFPLHFVLPKHQ-UHFFFAOYSA-N | | 57509423 | 
| InChI=1S/C23H32O7/c1-11(2)13-9-14-17(15(25)10-13)23(5)16(26)7-8-22(4,21(28)29-6)20(23)19(18(14)27)30-12(3)24/h9-11,16,18-20,25-27H,7-8H2,1-6H3 | C1CC(C2C(C1O)(c1c(C(C2OC(=O)C)O)cc(cc1O)C(C)C)C)(C(=O)OC)C | ||
| challenge-064 | LLEMMFPELBNINR-UHFFFAOYSA-N | | 4155678 | 
| 3367711 | | InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1 | c1cccc(c1)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
| challenge-065 | OZDABLANSWPSGY-UHFFFAOYSA-N | | 14539974 | 
| InChI=1S/C29H38O14/c1-12(2)8-9-15-18(27(38)39-3)26(43-29-24(37)22(35)20(33)17(11-31)41-29)14-7-5-4-6-13(14)25(15)42-28-23(36)21(34)19(32)16(10-30)40-28/h4-8,16-17,19-24,28-37H,9-11H2,1-3H3 | C1(C(C(C(C(O1)Oc1c2ccccc2c(OC2C(C(C(C(O2)CO)O)O)O)c(c1C(=O)OC)CC=C(C)C)O)O)O)CO | ||
| challenge-066 | ZTDRTMVBTLHQII-UHFFFAOYSA-N | | 23786454 | 
| InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-19-20(21(15)24)17(23)11-18(26-19)13-5-7-14(25-3)8-6-13/h4-8,10,18,22,24H,9,11H2,1-3H3 | c12c(c(c(cc1OC(CC2=O)c1ccc(cc1)OC)O)CC=C(C)C)O | ||
| challenge-067 | HPQKNJHVWUWAOR-UHFFFAOYSA-N | | 578152 | 
| 502556 | | InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24) | C1CC(C2C(C1)(C(C(=C)CC2)CCC(CC(=O)O)C)C)(C(=O)O)C |
| challenge-068 | UZIOUZHBUYLDHW-UHFFFAOYSA-N | | 4483443 | 
| 3681299 | | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 | O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]1[C@H]2C([C@H](CC[C@@]2(C2[C@@](C1)([C@]1([C@H]([C@@H](C2)O)[C@H](CC1)[C@@](CCC=C(C)C)(C)O)C)C)C)O)(C)C)CO)O)O |
| challenge-069 | IMIAGCONYJPMDY-UHFFFAOYSA-N | | 327248 | 
| 289807 | | InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1 | [C@@H]1([C@H]2[C@]([C@]34[C@@]([C@H]1OC(=O)C)([C@@H](C(=O)[C@H]([C@H]3OC(=O)C)[C@](O4)(C)COC(=O)c1c(nccc1)[C@H]([C@@H](C(=O)O2)C)C)OC(=O)C)COC(=O)C)(C)O)OC(=O)C |
| challenge-070 | OEWCQSJKSNWJTH-UHFFFAOYSA-N | | 9968607 | 
| 8144199 | | InChI=1S/C20H20O6/c1-25-19(23)17-15(11-3-7-13(21)8-4-11)18(20(24)26-2)16(17)12-5-9-14(22)10-6-12/h3-10,15-18,21-22H,1-2H3 | C1(C(C(C1C(=O)OC)c1ccc(cc1)O)C(=O)OC)c1ccc(cc1)O |
| challenge-071 | LNVWGAALAQOWHF-UHFFFAOYSA-N | | 42607720 | 
| InChI=1S/C21H24O11/c22-7-14-18(29)19(30)20(31)21(32-14)15-11(24)4-2-9(17(15)28)16(27)13(26)6-8-1-3-10(23)12(25)5-8/h1-5,13-14,18-26,28-31H,6-7H2/t13-,14-,18-,19+,20-,21+/m1/s1 | c1(c(ccc(c1O)C(=O)[C@@H](Cc1ccc(c(c1)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | ||
| challenge-072 | PRZVXHGUJJPSME-UHFFFAOYSA-N | | 599030 | 
| 520736 | | InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3 | C12(C(C(OC=C1C(=O)OC)OC1OC(C(C(C1O)O)O)CO)C(CC2=O)C)O |
| challenge-073 | GGNFGJZLCXTJLH-UHFFFAOYSA-N | | 434884 | 
| 384590 | | InChI=1S/C29H38O12/c1-3-20-21(12-19-11-17(32)10-18(39-19)9-6-15-4-7-16(31)8-5-15)22(27(36)37-2)14-38-28(20)41-29-26(35)25(34)24(33)23(13-30)40-29/h3-5,7-8,14,18-21,23-26,28-31,33-35H,1,6,9-13H2,2H3 | C(Cc1ccc(cc1)O)C1OC(CC2C(C(OC=C2C(=O)OC)OC2OC(C(O)C(O)C2O)CO)C=C)CC(=O)C1 |
| challenge-074 | UDHCHDJLZGYDDM-QPJJXVBHSA-N | | 14034193 | 
| InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ | C1C(C(C(C(O1)OC1C(C(C(OC1OC1C(C(OC(C1O)OCCc1ccc(c(c1)O)O)CO)OC(=O)/C=C/c1cc(c(cc1)O)O)C)O)O)O)O)O | ||
| challenge-075 | NDXWYVRAUFPPEJ-UHFFFAOYSA-N | | 17760167 | 
| InChI=1S/C10H12O4/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9,11-12H,3,6H2,(H,13,14) | c1c(ccc(c1)CCC(C(=O)O)O)O | ||
| challenge-076 | CAFTUQNGDROXEZ-UHFFFAOYSA-N | | 494583 | 
| 432924 | | InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3 | C12(C(C(OC=C1)OC1OC(C(C(C1O)O)O)CO)C(CC2O)(C)OC(=O)C)O |
| challenge-077 | PHKSUFCCGLWIMC-UHFFFAOYSA-N | | 12310371 | 
| InChI=1S/C20H28O4/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h4,8,11-12,14,17,21H,3,5-7,9-10,13H2,1-2H3,(H,22,23) | C12(C(=CCCC1C(CCc1cocc1)(C(CC2)C)C)C(=O)O)CO | ||
| challenge-078 | DBKIEMOKQWYZOA-UHFFFAOYSA-N | | 182703 | 
| InChI=1S/C15H22O5/c1-14(7-16)3-9-11(5-14)15(2,19)4-8-10(12(9)17)6-20-13(8)18/h9,11-12,16-17,19H,3-7H2,1-2H3 | C12=C(C(=O)OC1)CC(C1C(C2O)CC(C1)(C)CO)(C)O | ||
| challenge-079 | FTGKHGAVFGGOMW-UHFFFAOYSA-N | | 45360106 | 
| InChI=1S/C30H44O7/c1-16(2)17-8-13-29(24(34)35)14-15-30(25(36)37)18(22(17)29)6-7-19-26(3)11-10-21(31)28(5,23(32)33)20(26)9-12-27(19,30)4/h17-22,31H,1,6-15H2,2-5H3,(H,32,33)(H,34,35)(H,36,37) | C1C(C(C2C(C1)(C1C(CC2)(C2(C(CC1)C1C(CC2)(CCC1C(=C)C)C(=O)O)C(=O)O)C)C)(C(=O)O)C)O | ||
| challenge-080 | FEMTVABTBAWCEK-UHFFFAOYSA-N | | 57509426 | 
| InChI=1S/C25H34O8/c1-12(2)15-10-16-19(17(28)11-15)25(6)18(32-13(3)26)8-9-24(5,23(30)31-7)22(25)21(20(16)29)33-14(4)27/h10-12,18,20-22,28-29H,8-9H2,1-7H3 | C1CC(C2C(C1OC(=O)C)(c1c(C(C2OC(=O)C)O)cc(cc1O)C(C)C)C)(C(=O)OC)C | ||
| challenge-081 | ISHUKYBHEZATMQ-UHFFFAOYSA-N | | 56776286 | 
| InChI=1S/C40H44O17/c41-13-25-31(49)33(51)35(53)39(55-25)29-21(45)9-17(10-22(29)46)27-28(38(16-3-7-20(44)8-4-16)57-37(27)15-1-5-19(43)6-2-15)18-11-23(47)30(24(48)12-18)40-36(54)34(52)32(50)26(14-42)56-40/h1-12,25-28,31-54H,13-14H2 | C1(C(C(OC1c1ccc(cc1)O)c1ccc(cc1)O)c1cc(c(c(c1)O)C1OC(C(C(C1O)O)O)CO)O)c1cc(c(c(c1)O)C1OC(C(C(C1O)O)O)CO)O | ||
| challenge-082 | MXKGQHAVANZONW-UHFFFAOYSA-N | | 71437983 | 
| InChI=1S/C15H12O7/c1-20-9-4-3-6(16)10-12(19)11-7(17)5-8(18)13(21-2)15(11)22-14(9)10/h3-5,16-18H,1-2H3 | c1cc(c2c(c1O)c(=O)c1c(c(c(cc1O)O)OC)o2)OC | ||
| challenge-083 | FYTOTHFWELWOCG-UHFFFAOYSA-N | | 14427440 | 
| InChI=1S/C27H30O15/c28-7-15-20(35)22(37)26(42-27-23(38)21(36)19(34)16(8-29)41-27)25(40-15)18-12(32)5-11(31)17-13(33)6-14(39-24(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-23,25-32,34-38H,7-8H2 | Oc1ccc(c2cc(=O)c3c(cc(c(c3o2)C2OC(C(O)C(O)C2OC2OC(C(O)C(O)C2O)CO)CO)O)O)cc1 | ||
| challenge-084 | ZSKDVJYWOHBGNI-UHFFFAOYSA-N | | 195328 | 
| InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) | c1(c(cc2c(c1)cc(cc2c1ccc(c(c1)O)O)C(=O)O)O)O | ||
| challenge-085 | RRUQYJBEEQBWGK-UHFFFAOYSA-N | | 56776322 | 
| InChI=1S/C21H32O10/c1-10(12(24)8-22)19(28)31-13-7-20(3)14(25)5-6-21(29,9-23)17(20)16(26)15(13)11(2)18(27)30-4/h12-17,22-26,29H,1-2,5-9H2,3-4H3 | C1CC(C2C(C1O)(CC(C(C2O)C(=C)C(=O)OC)OC(=O)C(=C)C(CO)O)C)(CO)O | ||
| challenge-086 | VVSZRCIUFBADJQ-BJMVGYQFSA-N | | 38355910 | 
| InChI=1S/C20H20O4/c1-14(2)11-12-24-17-7-3-15(4-8-17)5-10-19(22)18-9-6-16(21)13-20(18)23/h3-11,13,21,23H,12H2,1-2H3/b10-5+ | c1c(ccc(c1O)C(=O)/C=C/c1ccc(cc1)OCC=C(C)C)O | ||
| challenge-087 | ZHZZKRDEPZMPLJ-UHFFFAOYSA-N | | 14138137 | 
| InChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9+,12-,13+,14+/m1/s1 | C12=C(C[C@@H]([C@@H]3[C@@H]([C@H]1C(=CC2=O)CO)OC(=O)[C@@H]3C)O)C | ||
| challenge-088 | MVOUGOXRXQDXDC-UHFFFAOYSA-N | | 3559211 | 
| 2796851 | | InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1 | c1(c(c(c2c(c1[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)oc(cc2=O)c1ccc(cc1)O)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O |
| challenge-089 | NFUHNVZGHNEYRG-UHFFFAOYSA-N | | 57509323 | 
| InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3 | c1(c(ccc(c1)C(C(CO)Oc1c(cc(cc1)CCCOC1OC(C(C(C1O)O)O)CO)OC)O)O)OC | ||
| challenge-090 | GARAEILXWIXANX-UHFFFAOYSA-N | | 538903 | 
| 469292 | | InChI=1S/C34H41NO16/c1-14-15(2)29(42)50-27-24(47-17(4)37)28(49-19(6)39)33(13-45-16(3)36)26(48-18(5)38)23(40)21-25(41)34(33,32(27,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,24-28,41,44H,12-13H2,1-8H3/t14-,15-,21+,24-,25+,26+,27-,28-,31-,32-,33+,34-/m0/s1 | [C@@H]1([C@H]2[C@]([C@]34[C@@]([C@H]1OC(=O)C)([C@@H](C(=O)[C@H]([C@H]3O)[C@](O4)(C)COC(=O)c1c(nccc1)[C@H]([C@@H](C(=O)O2)C)C)OC(=O)C)COC(=O)C)(C)O)OC(=O)C |
| challenge-091 | VPBGBMLWGOFHSN-UHFFFAOYSA-N | | 23955869 | 
| InChI=1S/C33H40O19/c1-11-30(52-33-28(44)24(40)22(38)18(8-34)50-33)26(42)29(45)31(48-11)47-10-19-23(39)25(41)27(43)32(51-19)49-14-6-16(36)20-17(7-14)46-9-15(21(20)37)12-2-4-13(35)5-3-12/h2-7,9,11,18-19,22-36,38-45H,8,10H2,1H3 | c1(cc(c2c(c1)occ(c2=O)c1ccc(cc1)O)O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O | ||
| challenge-092 | LIFSGPPJRHEFEY-DJKKODMXSA-N | | 23902358 | 
| InChI=1S/C35H56O9/c1-18(8-7-9-19(2)29(41)42)20-14-24(37)33(6)23-11-10-22-31(3,4)26(44-30-28(40)27(39)21(36)16-43-30)12-13-34(22)17-35(23,34)15-25(38)32(20,33)5/h9,18,20-28,30,36-40H,7-8,10-17H2,1-6H3,(H,41,42)/b19-9+ | C1C(C(C2CCC3C4(C2(C1)C4)CC(C1(C3(C(CC1C(CC/C=C(/C(=O)O)\C)C)O)C)C)O)(C)C)OC1OCC(O)C(O)C1O | ||
| challenge-093 | RNQBLQALVMHBKH-UHFFFAOYSA-N | | 390362 | 
| InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H | Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1C1C(Oc2cc(cc(c2C1=O)O)O)c1ccc(O)cc1)O | ||
| challenge-094 | DHPGIJYSTONUPM-UHFFFAOYSA-N | | 56776185 | 
| InChI=1S/C20H26O7/c1-11-6-15-20(9-21)16(13(22)2-4-18(20,24)10-26-15)19(11)7-14(27-17(19)23)12-3-5-25-8-12/h3,5,8,11,13-16,21-22,24H,2,4,6-7,9-10H2,1H3 | C1CC2(C3(C(C1O)C1(C(CC3OC2)C)CC(OC1=O)c1cocc1)CO)O | ||
| challenge-095 | UDVTWMLZUGXNQM-UHFFFAOYSA-N | | 57509389 | 
| InChI=1S/C23H32O6/c1-7-8-15(11-17(24)25)18-22(28-6)16(10-9-12(2)3)21(27)19-20(26)13(4)14(5)29-23(18)19/h9,13-15,27H,7-8,10-11H2,1-6H3,(H,24,25) | C(=C(C)C)Cc1c(OC)c(c2c(c1O)C(=O)C(C(O2)C)C)C(CC(=O)O)CCC | ||
| challenge-096 | KLPWVMFJDOIILT-UHFFFAOYSA-N | | 57509430 | 
| InChI=1S/C15H20O4/c1-8-10(16)4-5-14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h9,12,18H,4-7H2,1-3H3 | C1C(=O)C(=C2C(C1)(CCC1(C2OC(=O)C1C)O)C)C | ||
| challenge-097 | FKMASXTUONWHBB-UHFFFAOYSA-N | | 57509357 | 
| InChI=1S/C24H30O11/c1-13(26)24(32,10-14-2-6-16(27)7-3-14)23(31)33-12-15-4-8-17(9-5-15)34-22-21(30)20(29)19(28)18(11-25)35-22/h2-9,13,18-22,25-30,32H,10-12H2,1H3 | c1c(ccc(c1)COC(=O)C(C(O)C)(Cc1ccc(cc1)O)O)OC1OC(C(C(C1O)O)O)CO | ||
| challenge-098 | BTCICADMSGBCKA-UHFFFAOYSA-N | | 57509362 | 
| InChI=1S/C32H26O10/c1-39-19-7-3-15(4-8-19)31-27(29(37)25-21(35)11-17(33)13-23(25)41-31)28-30(38)26-22(36)12-18(34)14-24(26)42-32(28)16-5-9-20(40-2)10-6-16/h3-14,27-28,31-36H,1-2H3 | O(c1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1C1C(Oc2cc(cc(c2C1=O)O)O)c1ccc(OC)cc1)O)C | ||
| challenge-099 | LQUPEGJECBPTCO-UHFFFAOYSA-N | | 71262891 | 
| InChI=1S/C20H30O11/c1-27-11-4-2-10(3-5-11)6-7-28-20-18(26)16(24)15(23)13(31-20)9-30-19-17(25)14(22)12(21)8-29-19/h2-5,12-26H,6-9H2,1H3/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1 | c1c(ccc(c1)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)OC | ||
| challenge-100 | PUFYSEQCTZERQM-UHFFFAOYSA-N | | 57509507 | 
| InChI=1S/C20H30O4/c1-11-12-5-6-15-18(2,3)8-7-16(21)19(15,4)14(12)10-20(23)13(11)9-17(22)24-20/h9,11-12,14-16,21,23H,5-8,10H2,1-4H3 | C1CC(C2C(C1O)(C1C(CC2)C(C2=CC(=O)OC2(C1)O)C)C)(C)C | ||
| challenge-101 | GHCZYXUOYFOXIP-UHFFFAOYSA-N | | 4871 | 
| InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3 | c1(c(c2c(occ(c2=O)c2ccc(c(c2)O)O)c2c1OC(C=C2)(C)C)O)CC=C(C)C | ||
| challenge-102 | KNFOHFRALRKTOJ-UHFFFAOYSA-N | | 45027869 | 
| InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3 | C1(C(C(OC1)c1ccc(c(c1)OC)OC1OC(C(C(C1O)O)O)CO)CO)Cc1ccc(c(c1)OC)O | ||
| challenge-103 | UWQYBLOHTQWSQD-UHFFFAOYSA-N | | 5481958 | 
| 4587687 | | InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 | c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)CC=C(C)C)c1ccc(cc1O)O)O)O |
| challenge-104 | XKXZAYIPFRBKHT-UHFFFAOYSA-N | | 56776388 | 
| InChI=1S/C20H30O5/c1-12(9-17(22)23)5-7-19(3)13(2)6-8-20(4)15(18(24)25)10-14(21)11-16(19)20/h10,12-13,16H,5-9,11H2,1-4H3,(H,22,23)(H,24,25) | C1(=O)C=C(C2(C(C1)C(C(CC2)C)(CCC(C)CC(=O)O)C)C)C(=O)O | ||
| challenge-105 | YFZSQPRYLBGYKE-UHFFFAOYSA-N | | 13940619 | 
| InChI=1S/C23H24O12/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-14(33-12)7-15(22(32-2)19(17)28)34-23-21(30)20(29)18(27)16(8-24)35-23/h3-7,16,18,20-21,23-25,27-30H,8H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)OC)O)OC | ||
| challenge-106 | AKNILCMFRRDTEY-UHFFFAOYSA-N | | 3081484 | 
| 2339083 | | InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]1OC=C[C@@H]2[C@H]1[C@@]1([C@H]([C@H]2OC(=O)c2cc(c(cc2)O)OC)O1)CO |
| challenge-107 | LJNNQVFOVQWDMN-UHFFFAOYSA-N | | 57509435 | 
| InChI=1S/C27H38O8/c1-8-13(2)23(31)35-27-20(24(27,6)7)18-10-17(12-28)11-25(32)19(9-14(3)21(25)30)26(18,33)15(4)22(27)34-16(5)29/h9-10,13,15,18-20,22,28,32-33H,8,11-12H2,1-7H3 | C12(C(C=C(C1=O)C)C1(C(C=C(C2)CO)C2C(C(C1C)OC(=O)C)(C2(C)C)OC(=O)C(CC)C)O)O | ||
| challenge-108 | CJBZJZGULKATPY-UHFFFAOYSA-N | | 5323543 | 
| 4481095 | | InChI=1S/C24H26O6/c1-12(2)6-8-14-17(25)11-18(26)20-21(28)16-10-19(27)23(29-5)15(9-7-13(3)4)22(16)30-24(14)20/h6-7,10-11,25-27H,8-9H2,1-5H3 | c1(c(cc2c(c1CC=C(C)C)oc1c(c2=O)c(cc(c1CC=C(C)C)O)O)O)OC |
| challenge-109 | ARNVYCOTFWJTBS-UHFFFAOYSA-N | | 10478290 | 
| 8653699 | | InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3 | c1(c(c(c2c(c1)OCC(C2=O)c1c(c(c(cc1)O)CC=C(C)C)OC)O)CC=C(C)C)O |
| challenge-110 | VJSCHQMOTSXAKB-YCRREMRBSA-N | | 24096391 | 
| InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+ | c1cc(ccc1C(CNC(=O)/C=C/c1ccc(c(c1)OC)O)O)O | ||
| challenge-111 | FISIJWVRKFHLSM-UHFFFAOYSA-N | | 56776386 | 
| InChI=1S/C25H42O4/c1-17(2)14-23(28)29-16-20-8-7-9-21-24(5,12-10-18(3)15-22(26)27)19(4)11-13-25(20,21)6/h8,17-19,21H,7,9-16H2,1-6H3,(H,26,27) | C1C=C(C2(C(C1)C(C(CC2)C)(CCC(CC(=O)O)C)C)C)COC(=O)CC(C)C | ||
| challenge-112 | WJMFXQBNYLYADA-UHFFFAOYSA-N | | 3035586 | 
| 2299787 | | InChI=1S/C18H14O8/c19-11-2-1-7(4-12(11)20)15-9-6-14(22)13(21)5-8(9)3-10(17(23)24)16(15)18(25)26/h1-6,15-16,19-22H,(H,23,24)(H,25,26) | c1(c(cc2c(c1)C=C(C(C2c1ccc(c(c1)O)O)C(=O)O)C(=O)O)O)O |
| challenge-113 | XFLTYUCKJRFDOU-UHFFFAOYSA-N | | 5153916 | 
| 4327015 | | InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1 | O(C(=O)c1cc(c(c(c1)O)O)O)[C@@H]1[C@@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@H](O[C@H]1OC(=O)c1cc(c(c(c1)O)O)O)CO |
| challenge-114 | BZYKNVLTMWYEFA-UHFFFAOYSA-N | | 53396784 | 
| InChI=1S/C19H20O10/c20-6-11-15(25)17(27)18(28)19(29-11)13-10(23)5-9(22)12(16(13)26)14(24)7-1-3-8(21)4-2-7/h1-5,11,15,17-23,25-28H,6H2/t11-,15-,17+,18-,19+/m1/s1 | O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)c1c(cc(c(c1O)C(=O)c1ccc(cc1)O)O)O | ||
| challenge-115 | DQILVZOWLYBPKT-UHFFFAOYSA-N | | 15233655 | 
| InChI=1S/C25H33Cl2N5O7/c1-3-15-25(39)32-10-14(26)19(27)21(32)24(38)31-20(12(2)34)23(37)30-17(11-33)22(36)29-16(9-18(35)28-15)13-7-5-4-6-8-13/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,35)(H,29,36)(H,30,37)(H,31,38) | C12N(CC(C1Cl)Cl)C(=O)C(NC(=O)CC(NC(=O)C(NC(=O)C(NC2=O)C(C)O)CO)c1ccccc1)CC | ||
| challenge-116 | RATQVALKDAUZBW-UHFFFAOYSA-N | | 5153644 | 
| 4326748 | | InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1 | c1c(c(c(cc1C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@@H]1O)O)O)O |
| challenge-117 | KLKLIUIRQAMTAJ-UHFFFAOYSA-N | | 12084958 | 
| 10284961 | | InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)25(15-3-7-17(32)8-4-15)26(30(39)27-21(35)9-18(33)10-22(27)36)20-13-40-24-12-19(34)11-23(37)28(24)29(20)38/h1-13,25-26,31-37H | c1(cc(c2c(c1)occ(c2=O)C(C(c1ccc(cc1)O)c1ccc(cc1)O)C(=O)c1c(cc(cc1O)O)O)O)O |
| challenge-118 | IHGAMZBDEOTTEW-UHFFFAOYSA-N | | 57509548 | 
| InChI=1S/C23H22O13/c1-32-12-5-8(3-4-10(12)24)19-20(33-2)15(26)14-11(25)6-9(7-13(14)35-19)34-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-25,27-29H,1-2H3,(H,30,31) | c1(cc(c2c(c1)oc(c(c2=O)OC)c1cc(c(cc1)O)OC)O)OC1OC(C(C(C1O)O)O)C(=O)O | ||
| challenge-119 | PCSZTTAMZGNQNB-UHFFFAOYSA-N | | 44715831 | 
| InChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3 | C(C(C(C)(C)O)O)(O)c1c(cc2c(c1)ccc(=O)o2)OC | ||
| challenge-120 | IJOCZMKYIFYFQK-UHFFFAOYSA-N | | 24096422 | 
| InChI=1S/C20H30O6/c1-11-4-7-19(3)14(9-13(21)16(23)20(19)10-25-20)18(11,2)6-5-12-8-15(22)26-17(12)24/h8,11,13-16,21-23H,4-7,9-10H2,1-3H3 | C1(C(O)C2(C3(C(C1)C(C(CC3)C)(C)CCC1=CC(OC1=O)O)C)CO2)O | ||
| challenge-121 | AFYIWKNGSIYXCQ-VMPITWQZSA-N | | 5862036 | 
| 4726254 | | InChI=1S/C36H42O19/c1-15(50-23(39)8-5-16-3-6-17(7-4-16)51-34-29(44)27(42)25(40)21(12-37)52-34)19-11-36(55-32(19)47)10-9-18-20(31(46)48-2)14-49-33(24(18)36)54-35-30(45)28(43)26(41)22(13-38)53-35/h3-11,14-15,18,21-22,24-30,33-35,37-38,40-45H,12-13H2,1-2H3/b8-5+/t15-,18+,21+,22+,24+,25+,26+,27-,28-,29+,30+,33-,34+,35-,36?/m0/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1ccc(/C=C/C(=O)O[C@H](C2=CC3(OC2=O)[C@H]2[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)OC=C([C@H]2C=C3)C(=O)OC)C)cc1 |
| challenge-122 | SNGHLUWTFLYPMT-UHFFFAOYSA-N | | 329789 | 
| 292147 | | InChI=1S/C26H28O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,19-20,28H,5,7,9,11H2,1-4H3/t13?,14-,19-,20+,23-,24-,25-,26+/m0/s1 | OC1=C2C(O[C@@H]3[C@@]2(C2[C@@](C1=O)([C@]14[C@@](CC2)([C@@H](OC(=O)[C@H]1O4)c1cocc1)C)C)COC(=O)C3)(C)C |
| challenge-123 | QXAYVHFIMKYRKA-UHFFFAOYSA-N | | 57509452 | 
| InChI=1S/C20H26O4/c1-13-3-7-20-12-24-18(22)16(20)9-15(21)10-17(20)19(13,2)6-4-14-5-8-23-11-14/h5,8-9,11,13,15,17,21H,3-4,6-7,10,12H2,1-2H3 | C1(C=C2C3(C(C1)C(C(CC3)C)(CCc1cocc1)C)COC2=O)O | ||
| challenge-124 | IKHAPHPJWABCCU-WGSZPKJISA-N | | 10908643 | 
| InChI=1S/C39H38O12/c1-46-32-23-28(12-17-31(32)42)38(45)35(24-50-37(44)19-11-26-8-15-30(41)16-9-26)51-39-33(47-2)21-27(22-34(39)48-3)5-4-20-49-36(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,35,38,40-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+ | c1(c(c(cc(c1)/C=C/COC(=O)/C=C/c1ccc(cc1)O)OC)OC(C(c1ccc(c(c1)OC)O)O)COC(=O)/C=C/c1ccc(cc1)O)OC | ||
| challenge-125 | AWTYKUNFPBFFHC-UHFFFAOYSA-N | | 57509528 | 
| InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)21(30)15-11-36-25(14(15)9-27)13-4-6-17(19(8-13)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3 | C1C(C(C(O1)c1ccc(c(c1)OC)OC1OC(C(C(C1O)O)O)CO)CO)C(O)c1ccc(c(c1)OC)O | ||
| challenge-126 | KGNAXTMQQANFON-UHFFFAOYSA-N | | 60208884 | 
| InChI=1S/C48H60N6O16/c1-24-42(61)51-31(16-18-38(56)57)46(65)52(3)32(19-26-7-12-29(67-6)13-8-26)44(63)50-25(2)45(64)54(5)34-20-27-9-14-30(15-10-27)68-36-22-28(21-33(43(62)49-24)53(4)47(34)66)11-17-35(36)69-48-41(60)40(59)39(58)37(23-55)70-48/h7-15,17,22,24-25,31-34,37,39-41,48,55,58-60H,16,18-21,23H2,1-6H3,(H,49,62)(H,50,63)(H,51,61)(H,56,57) | N1C(=O)C2N(C(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C1C)CCC(=O)O)C)Cc1ccc(cc1)OC)C)C)Cc1ccc(cc1)Oc1cc(ccc1OC1OC(C(C(C1O)O)O)CO)C2)C | ||
| challenge-127 | ISQUNAAALVXWGI-DFTZOVBQSA-N | | 14610541 | 
| 17216190 | | InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+/t20?,21-,22-,23-,24-,25+,26+,27-,28-,30+,31+,32?/m1/s1 | OC(=O)/C(=C/C(C/C(=C/CC/C(=C/CCC(C=C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)/C)/C)O)/C |
| challenge-128 | XWFQRXGYJJOFCO-UHFFFAOYSA-N | | 56776287 | 
| InChI=1S/C20H22O9/c21-8-16-17(25)18(26)20(29-16)27-11-5-13(23)12-7-14(24)19(28-15(12)6-11)9-1-3-10(22)4-2-9/h1-6,14,16-26H,7-8H2 | c1(cc(c2c(c1)OC(C(C2)O)c1ccc(cc1)O)O)OC1OC(C(C1O)O)CO | ||
| challenge-129 | IBLPTYJTKWQCDX-UHFFFAOYSA-N | | 14807364 | 
| InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3 | C12C(C3C(CCC1(C)O)C3(C)C)C(CC2)(C)C(CC(C)C)c1c(c(c(c(c1O)C=O)O)C=O)O | ||
| challenge-130 | HBCGNAJUSBIBGA-UHFFFAOYSA-N | | 45359703 | 
| InChI=1S/C46H76O18/c1-19(2)20(3)13-28(61-44-41(58)37(54)34(51)30(17-48)63-44)21(4)25-9-10-26-24-8-7-22-14-23(15-32(49)46(22,6)27(24)11-12-45(25,26)5)60-43-40(57)38(55)35(52)31(64-43)18-59-42-39(56)36(53)33(50)29(16-47)62-42/h7,21,23-44,47-58H,8-18H2,1-6H3 | C1C(CC2=CCC3C(C2(C1O)C)CCC1(C3CCC1C(C(CC(=C(C)C)C)OC1OC(C(O)C(O)C1O)CO)C)C)OC1OC(C(O)C(O)C1O)COC1OC(C(O)C(O)C1O)CO | ||
| challenge-131 | SDRRSTAVRUERNC-QPJJXVBHSA-N | | 6450095 | 
| 4952732 | | InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 | O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(c(c3)O)O)O[C@@H]([C@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)CO)O[C@H]([C@H](O)[C@H]1O)C |
| challenge-132 | RNPABQVCNAUEIY-UHFFFAOYSA-N | | 409814 |
| 362684 | | InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1 | C1[C@@H]([C@@]2([C@@H]3[C@](C1)([C@@]1([C@@H]([C@@H](C3)O)[C@]3([C@@H](C1)[C@H]1[C@H]([C@H]([C@@H]3O)O)[C@@]([C@H]3N(C1)C[C@H](CC3)C)(O)C)O)O2)C)O)O |
| challenge-133 | PSFMBXYUQFAGAM-QPJJXVBHSA-N | | 45783211 |
| InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+ | C1(C(C(C(C(O1)OC1C(C(C(OC1OC1C(C(OC(C1O)OCCc1ccc(c(c1)O)O)COC(=O)/C=C/c1cc(c(cc1)O)O)O)C)O)O)O)O)O)CO | ||
| challenge-134 | QDFJNOVWEADTGJ-UHFFFAOYSA-N | | 44257459 |
| InChI=1S/C16H14O5/c1-19-12-5-4-10-15-11(7-20-16(10)14(12)18)9-3-2-8(17)6-13(9)21-15/h2-6,11,15,17-18H,7H2,1H3/t11-,15-/m0/s1 | c1c(c(c2c(c1)[C@H]1[C@@H](CO2)c2c(O1)cc(cc2)O)O)OC | ||
| challenge-135 | GWVCYAYKRPLWGK-AAMZJHKISA-N | | 23872020 |
| InChI=1S/C20H32O4/c1-16(2)7-4-11-19(20(23)24)12-6-9-17(3)8-5-10-18(15-22)13-14-21/h7-8,12-13,21-22H,4-6,9-11,14-15H2,1-3H3,(H,23,24)/b17-8+,18-13-,19-12+ | CC(=CCC/C(=C\CC/C(=C/CC/C(=C/CO)/CO)/C)/C(=O)O)C | ||
| challenge-136 | VYQXIUVIYICVCM-UHFFFAOYSA-N | | 10466989 |
| 8642400 | | InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3 | c1c(cc(cc1O)CCc1cccc(c1)O)OC |
| challenge-137 | UZIOUZHBUYLDHW-UHFFFAOYSA-N | | 4483443 |
| 3681299 | | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 | O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]1[C@H]2C([C@H](CC[C@@]2(C2[C@@](C1)([C@]1([C@H]([C@@H](C2)O)[C@H](CC1)[C@@](CCC=C(C)C)(C)O)C)C)C)O)(C)C)CO)O)O |
| challenge-138 | PHKSUFCCGLWIMC-UHFFFAOYSA-N | | 12310371 |
| InChI=1S/C20H28O4/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h4,8,11-12,14,17,21H,3,5-7,9-10,13H2,1-2H3,(H,22,23) | C12(C(=CCCC1C(CCc1cocc1)(C(CC2)C)C)C(=O)O)CO | ||
| challenge-139 | GARAEILXWIXANX-UHFFFAOYSA-N | | 538903 |
| 469292 | | InChI=1S/C34H41NO16/c1-14-15(2)29(42)50-27-24(47-17(4)37)28(49-19(6)39)33(13-45-16(3)36)26(48-18(5)38)23(40)21-25(41)34(33,32(27,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,24-28,41,44H,12-13H2,1-8H3/t14-,15-,21+,24-,25+,26+,27-,28-,31-,32-,33+,34-/m0/s1 | [C@@H]1([C@H]2[C@]([C@]34[C@@]([C@H]1OC(=O)C)([C@@H](C(=O)[C@H]([C@H]3O)[C@](O4)(C)COC(=O)c1c(nccc1)[C@H]([C@@H](C(=O)O2)C)C)OC(=O)C)COC(=O)C)(C)O)OC(=O)C |
| challenge-140 | JKZMYBLUKAMPKM-UHFFFAOYSA-N | | 625481 | 
| 543351 | | InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2 | c12c(cc3c(c1)CN1C4C(=CC(C(C4)O)O)C3C1)OCO2 |
| challenge-141 | XKXZAYIPFRBKHT-UHFFFAOYSA-N | | 56776388 |
| InChI=1S/C20H30O5/c1-12(9-17(22)23)5-7-19(3)13(2)6-8-20(4)15(18(24)25)10-14(21)11-16(19)20/h10,12-13,16H,5-9,11H2,1-4H3,(H,22,23)(H,24,25) | C1(=O)C=C(C2(C(C1)C(C(CC2)C)(CCC(C)CC(=O)O)C)C)C(=O)O | ||
| challenge-142 | BZYKNVLTMWYEFA-UHFFFAOYSA-N | | 53396784 |
| InChI=1S/C19H20O10/c20-6-11-15(25)17(27)18(28)19(29-11)13-10(23)5-9(22)12(16(13)26)14(24)7-1-3-8(21)4-2-7/h1-5,11,15,17-23,25-28H,6H2/t11-,15-,17+,18-,19+/m1/s1 | O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)c1c(cc(c(c1O)C(=O)c1ccc(cc1)O)O)O | ||
| challenge-143 | IOGFBFUSBVLQMS-UHFFFAOYSA-N | | 98332 | 
| 88795 | | InChI=1S/C15H18O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h10,13H,2,4-7H2,1,3H3/t10-,13+,15+/m0/s1 | C1(=C2[C@]([C@H]3[C@@H](CC1)C(=C)C(=O)O3)(OC(=O)CC2)C)C |
| challenge-144 | TXVHSAPNXGBCKX-JQIJEIRASA-N | | 5324544 | 
| 4482064 | | InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(15(12)18)14(17)10-5-3-2-4-6-10/h2-9,17H,1H3/b16-14+ | C\1(=C(/c2ccccc2)\O)/Oc2c(C1=O)ccc(c2)OC |
| challenge-145 | DLHZVTVUHATYAU-UHFFFAOYSA-N | | 45359774 | 
| InChI=1S/C19H22O5/c1-11-3-5-19(22)12(2)7-14(20)8-16(19)18(11)9-15(24-17(18)21)13-4-6-23-10-13/h4,6-7,10-11,15-16,22H,3,5,8-9H2,1-2H3 | O1C(CC2(C1=O)C1CC(=O)C=C(C1(CCC2C)O)C)c1cocc1 | ||
| challenge-146 | LIVNOUBJFOXZOR-UHFFFAOYSA-N | | 22298424 |
| 20058524 | | InChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1cc(ccc1CCC(=O)O)OC |
| challenge-147 | VOIMPDXOQJYVDI-UHFFFAOYSA-N | | 97315 | 
| 87838 | | InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3/t15-,16-,17+,18+/m0/s1 | [C@H]12c3c(CN4[C@@H]1C(=C[C@@H]([C@H]2O)OC)CC4)cc(c(c3)OC)OC |
| challenge-148 | GVVXPMORGFYVOO-UHFFFAOYSA-N | | 267400 | 
| 235026 | | InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3 | c1(c(c2c3c(c1)CCNC3Cc1c2cc(c(c1)O)OC)OC)OC |
| challenge-149 | LXAMCLNOVGHDMD-UHFFFAOYSA-N | | 23815373 |
| InChI=1S/C47H74O16/c1-21-29(50)31(52)33(54)40(59-21)61-35-34(55)36(38(56)57)62-41(37(35)63-39-32(53)30(51)24(48)20-58-39)60-28-13-14-45(7)25(43(28,4)5)12-15-47(9)26(45)11-10-22-23-18-42(2,3)19-27(49)44(23,6)16-17-46(22,47)8/h10-11,21,24-37,39-41,48-55H,12-20H2,1-9H3,(H,56,57) | C1(C(C(C(C(O1)OC1C(C(OC(C1OC1C(C(C(CO1)O)O)O)OC1CCC2(C(C1(C)C)CCC1(C2C=CC2=C3C(CCC12C)(C(CC(C3)(C)C)O)C)C)C)C(=O)O)O)O)O)O)C | ||
| challenge-150 | FFDULTAFAQRACT-UHFFFAOYSA-N | | 226371 |
| InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29-,30-,33-,34-/m0/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1c(cc([C@@H]2OC[C@H]3[C@@H]2CO[C@H]3c2cc(c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)c(c2)OC)OC)cc1OC)OC | ||
| challenge-151 | WDMQLCVSWBENIY-UHFFFAOYSA-N | | 336014 |
| 297781 | | InChI=1S/C21H30O13/c1-7-5-10(23)21(34-20-17(29)14(26)12(24)8(2)31-20)3-4-30-18(11(7)21)33-19-16(28)15(27)13(25)9(6-22)32-19/h3-5,8-9,11-20,22,24-29H,6H2,1-2H3/t8-,9+,11-,12-,13+,14+,15-,16+,17+,18-,19-,20-,21+/m0/s1 | [C@@]12([C@H]([C@@H](OC=C1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=CC2=O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O |
| challenge-152 | PKZLCDIEFSFXDK-UHFFFAOYSA-N | | 14585037 |
| InChI=1S/C44H68O19/c1-19-39(63-41-38(53)36(51)34(49)29(62-41)18-57-40-37(52)35(50)33(48)28(16-45)61-40)26(55-5)14-31(58-19)60-23-8-10-42(3)22(13-23)6-7-25-24(42)9-11-43(4)32(21-12-30(47)56-17-21)27(59-20(2)46)15-44(25,43)54/h12,19,22-29,31-41,45,48-54H,6-11,13-18H2,1-5H3/t19-,22?,23+,24?,25?,26-,27+,28-,29-,31+,32+,33-,34-,35+,36+,37-,38-,39+,40-,41?,42+,43-,44?/m1/s1 | C1[C@@H](CC2[C@](C1)(C1C(CC2)C2([C@](CC1)([C@H]([C@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C | ||
| challenge-153 | JSXYBZIRJXMIMK-UHFFFAOYSA-N | | 57509504 |
| InChI=1S/C20H30O4/c1-5-17(2)11-14(21)20(12-17)10-7-13-18(3,15(20)22)8-6-9-19(13,4)16(23)24/h5,13-14,21H,1,6-12H2,2-4H3,(H,23,24) | C1CC(C2C(C1)(C(=O)C1(CC2)C(CC(C1)(C)C=C)O)C)(C)C(=O)O | ||
| challenge-154 | IBIPGYWNOBGEMH-UHFFFAOYSA-N | | 233330 |
| 203427 | | InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 | [C@H]1(OC=C2[C@@H]3[C@H]1C(=C[C@@H]3OC2=O)COC(=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
| challenge-155 | IJRBORPEVKCEQD-UHFFFAOYSA-N | | 12312687 |
| InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16?,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1 | [C@H]1([C@@H](C[C@@H]2[C@](C1)(C1C(=CC2=O)[C@]2([C@](CC1)([C@H](CC2)[C@](O)(C)[C@@H](C[C@H](C(C)(C)O)C)O)C)O)C)O)O | ||
| challenge-156 | XVMMEYCPXZYLAI-UHFFFAOYSA-N | | 11174076 | 
| 9349168 | | InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3 | c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O)O |
| challenge-157 | UUZWMJQAEYBHAO-UHFFFAOYSA-N | | 13995409 |
| InChI=1S/C15H22O4/c1-14(2)4-9-11(6-14)15(3,18)5-8-10(12(9)16)7-19-13(8)17/h9,11-12,16,18H,4-7H2,1-3H3 | C12=C(C(=O)OC1)CC(C1C(C2O)CC(C1)(C)C)(C)O | ||
| challenge-158 | IHFBPDAQLQOCBX-UHFFFAOYSA-N | | 5281628 |
| 4444947 | | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 | c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)OC)O |
| challenge-159 | PASZRDILCDRSOZ-UHFFFAOYSA-N | | 56776297 |
| InChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,8-11,20-22H,6-7,12-14H2,1H3 | c1c(ccc(c1)CCC(CC(=O)CCc1ccc(cc1)O)OC)O | ||
| challenge-160 | LLEMMFPELBNINR-UHFFFAOYSA-N | | 4155678 |
| 3367711 | | InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1 | c1cccc(c1)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
| challenge-161 | RTNGMIUMJUOABT-BUHFOSPRSA-N | | 6064901 | 
| 20078301 | | InChI=1S/C15H14O5/c1-17-10-8-11(16)19-13(10)14(18-2)15-12(20-15)9-6-4-3-5-7-9/h3-8,12,15H,1-2H3/b14-13+/t12-,15+/m0/s1 | [C@@H]1([C@@H](O1)/C(=C\1/C(=CC(=O)O1)OC)/OC)c1ccccc1 |
| challenge-162 | FDLLEBFMOIHMNM-UHFFFAOYSA-N | | 14807501 | 
| InChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,13-14,16H,1,3-4,6,8H2,2,5H3 | C1=C2C(=C)CC3C(C(CC(C1=O)(C)O2)OC(=O)C(=C)C)C(=C)C(=O)O3 | ||
| challenge-163 | FBRKYRSUSJWLHH-UHFFFAOYSA-N | | 15560508 | 
| InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3 | c1(c(cc2c(c1)CCN1C2CC(C(C1)CC)CC1=NCCc2c1cc(c(c2)OC)OC)OC)OC | ||
| challenge-164 | NVXJDQXVTHYURW-UHFFFAOYSA-N | | 14312974 | 
| InChI=1S/C15H22O4/c1-8-10(16)4-5-14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h9-10,12,16,18H,4-7H2,1-3H3 | C1C(C(=C2C(C1)(CCC1(C2OC(=O)C1C)O)C)C)O | ||
| challenge-165 | OZDABLANSWPSGY-UHFFFAOYSA-N | | 14539974 |
| InChI=1S/C29H38O14/c1-12(2)8-9-15-18(27(38)39-3)26(43-29-24(37)22(35)20(33)17(11-31)41-29)14-7-5-4-6-13(14)25(15)42-28-23(36)21(34)19(32)16(10-30)40-28/h4-8,16-17,19-24,28-37H,9-11H2,1-3H3 | C1(C(C(C(C(O1)Oc1c2ccccc2c(OC2C(C(C(C(O2)CO)O)O)O)c(c1C(=O)OC)CC=C(C)C)O)O)O)CO | ||
| challenge-166 | ZTDRTMVBTLHQII-UHFFFAOYSA-N | | 23786454 |
| InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-19-20(21(15)24)17(23)11-18(26-19)13-5-7-14(25-3)8-6-13/h4-8,10,18,22,24H,9,11H2,1-3H3 | c12c(c(c(cc1OC(CC2=O)c1ccc(cc1)OC)O)CC=C(C)C)O | ||
| challenge-167 | YLWAQARRNQVEHD-UHFFFAOYSA-N | | 271607 | 
| 238904 | | InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3 | c12c(cc3c(c1)C14C(OC3)(CN(C1CC(C=C4)OC)C)O)OCO2 |
| challenge-168 | HPQKNJHVWUWAOR-UHFFFAOYSA-N | | 578152 |
| 502556 | | InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24) | C1CC(C2C(C1)(C(C(=C)CC2)CCC(CC(=O)O)C)C)(C(=O)O)C |
| challenge-169 | IMIAGCONYJPMDY-UHFFFAOYSA-N | | 327248 |
| 289807 | | InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1 | [C@@H]1([C@H]2[C@]([C@]34[C@@]([C@H]1OC(=O)C)([C@@H](C(=O)[C@H]([C@H]3OC(=O)C)[C@](O4)(C)COC(=O)c1c(nccc1)[C@H]([C@@H](C(=O)O2)C)C)OC(=O)C)COC(=O)C)(C)O)OC(=O)C |
| challenge-170 | GVRNTWSGBWPJGS-UHFFFAOYSA-N | | 343586 | 
| 304591 | | InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17?,19+,20+/m1/s1 | C1C([C@@]([C@@H]2[C@](C1)(C)[C@@H](C(=C)CC2)CCC1=CCOC1=O)(C)CO)O |
| challenge-171 | VNOMXNULTAUIDL-UHFFFAOYSA-N | | 57509505 | 
| InChI=1S/C20H28O3/c1-5-18(2)12-13-7-8-15-19(3,14(13)11-16(18)21)9-6-10-20(15,4)17(22)23/h5,11,13,15H,1,6-10,12H2,2-4H3,(H,22,23) | C1CC(C2C(C1)(C1=CC(=O)C(CC1CC2)(C=C)C)C)(C)C(=O)O | ||
| challenge-172 | LUADJIBUFOIMNV-UHFFFAOYSA-N | | 57509414 | 
| InChI=1S/C15H22O3/c1-9-4-5-11-10(9)6-15(18)12(17)7-13(11,2)14(15,3)8-16/h5,9-10,16,18H,4,6-8H2,1-3H3 | C12=CCC(C1CC1(C(=O)CC2(C1(CO)C)C)O)C | ||
| challenge-173 | OEWCQSJKSNWJTH-UHFFFAOYSA-N | | 9968607 |
| 8144199 | | InChI=1S/C20H20O6/c1-25-19(23)17-15(11-3-7-13(21)8-4-11)18(20(24)26-2)16(17)12-5-9-14(22)10-6-12/h3-10,15-18,21-22H,1-2H3 | C1(C(C(C1C(=O)OC)c1ccc(cc1)O)C(=O)OC)c1ccc(cc1)O |
| challenge-174 | LNVWGAALAQOWHF-UHFFFAOYSA-N | | 42607720 |
| InChI=1S/C21H24O11/c22-7-14-18(29)19(30)20(31)21(32-14)15-11(24)4-2-9(17(15)28)16(27)13(26)6-8-1-3-10(23)12(25)5-8/h1-5,13-14,18-26,28-31H,6-7H2/t13-,14-,18-,19+,20-,21+/m1/s1 | c1(c(ccc(c1O)C(=O)[C@@H](Cc1ccc(c(c1)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | ||
| challenge-175 | PRZVXHGUJJPSME-UHFFFAOYSA-N | | 599030 |
| 520736 | | InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3 | C12(C(C(OC=C1C(=O)OC)OC1OC(C(C(C1O)O)O)CO)C(CC2=O)C)O |
| challenge-176 | ASZIGQFYGXSPCO-UHFFFAOYSA-N | | 25018670 | 
| InChI=1S/C15H22O4/c1-8(5-4-6-16)12-9(2)7-11-13(14(12)17)10(3)15(18)19-11/h8,11,13-14,16-17H,3-7H2,1-2H3 | C1(=C(C(C2C(C1)OC(=O)C2=C)O)C(CCCO)C)C | ||
| challenge-177 | GGNFGJZLCXTJLH-UHFFFAOYSA-N | | 434884 |
| 384590 | | InChI=1S/C29H38O12/c1-3-20-21(12-19-11-17(32)10-18(39-19)9-6-15-4-7-16(31)8-5-15)22(27(36)37-2)14-38-28(20)41-29-26(35)25(34)24(33)23(13-30)40-29/h3-5,7-8,14,18-21,23-26,28-31,33-35H,1,6,9-13H2,2H3 | C(Cc1ccc(cc1)O)C1OC(CC2C(C(OC=C2C(=O)OC)OC2OC(C(O)C(O)C2O)CO)C=C)CC(=O)C1 |
| challenge-178 | PGHCYQUSYHWJAI-NOPLWHKLSA-N | | 9796350 | 
| 7972116 | | InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+ | C/C=C/C#CC#C/C=C/C=C/C(CCOC(=O)C)OC(=O)C |
| challenge-179 | BVEFMGIAGANFEG-UHFFFAOYSA-N | | 120709 | 
| InChI=1S/C30H44O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,16-17,19-24,26-27,33-34H,4-11,13-15H2,1-3H3 | C1C(CC2C(C1)(C1C(CC2)C2(C(CC1)(C(CC2)C1=CC(=O)OC1)C)O)C=O)OC1OC(C(C(C1)OC)O)C | ||
| challenge-180 | UDHCHDJLZGYDDM-QPJJXVBHSA-N | | 14034193 |
| InChI=1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+ | C1C(C(C(C(O1)OC1C(C(C(OC1OC1C(C(OC(C1O)OCCc1ccc(c(c1)O)O)CO)OC(=O)/C=C/c1cc(c(cc1)O)O)C)O)O)O)O)O | ||
| challenge-181 | KNEQPJSDSYNUHP-VURMDHGXSA-N | | 20835504 | 
| InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+ | C1C(C(=C)CC2C(C(/C=C(/C1)\C)O)C(=C)C(=O)O2)O | ||
| challenge-182 | DBKIEMOKQWYZOA-UHFFFAOYSA-N | | 182703 |
| InChI=1S/C15H22O5/c1-14(7-16)3-9-11(5-14)15(2,19)4-8-10(12(9)17)6-20-13(8)18/h9,11-12,16-17,19H,3-7H2,1-2H3 | C12=C(C(=O)OC1)CC(C1C(C2O)CC(C1)(C)CO)(C)O | ||
| challenge-183 | BMLZFLQMBMYVHG-UHFFFAOYSA-N | | 98608 | 
| 89052 | | InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3 | c1(c2c(c(c3c1occ3)OC)ccc(=O)o2)OCC=C(C)C |
| challenge-184 | FTGKHGAVFGGOMW-UHFFFAOYSA-N | | 45360106 |
| InChI=1S/C30H44O7/c1-16(2)17-8-13-29(24(34)35)14-15-30(25(36)37)18(22(17)29)6-7-19-26(3)11-10-21(31)28(5,23(32)33)20(26)9-12-27(19,30)4/h17-22,31H,1,6-15H2,2-5H3,(H,32,33)(H,34,35)(H,36,37) | C1C(C(C2C(C1)(C1C(CC2)(C2(C(CC1)C1C(CC2)(CCC1C(=C)C)C(=O)O)C(=O)O)C)C)(C(=O)O)C)O | ||
| challenge-185 | FEMTVABTBAWCEK-UHFFFAOYSA-N | | 57509426 |
| InChI=1S/C25H34O8/c1-12(2)15-10-16-19(17(28)11-15)25(6)18(32-13(3)26)8-9-24(5,23(30)31-7)22(25)21(20(16)29)33-14(4)27/h10-12,18,20-22,28-29H,8-9H2,1-7H3 | C1CC(C2C(C1OC(=O)C)(c1c(C(C2OC(=O)C)O)cc(cc1O)C(C)C)C)(C(=O)OC)C | ||
| challenge-186 | TVHDZSRRHQKNEZ-UHFFFAOYSA-N | | 14239484 | 
| 10686284 | | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22) | C1CC(C2C(C1)(C1=CCC(CC1CC2)(C=C)C)C)(C)C(=O)O |
| challenge-187 | ISHUKYBHEZATMQ-UHFFFAOYSA-N | | 56776286 |
| InChI=1S/C40H44O17/c41-13-25-31(49)33(51)35(53)39(55-25)29-21(45)9-17(10-22(29)46)27-28(38(16-3-7-20(44)8-4-16)57-37(27)15-1-5-19(43)6-2-15)18-11-23(47)30(24(48)12-18)40-36(54)34(52)32(50)26(14-42)56-40/h1-12,25-28,31-54H,13-14H2 | C1(C(C(OC1c1ccc(cc1)O)c1ccc(cc1)O)c1cc(c(c(c1)O)C1OC(C(C(C1O)O)O)CO)O)c1cc(c(c(c1)O)C1OC(C(C(C1O)O)O)CO)O | ||
| challenge-188 | MXKGQHAVANZONW-UHFFFAOYSA-N | | 71437983 |
| InChI=1S/C15H12O7/c1-20-9-4-3-6(16)10-12(19)11-7(17)5-8(18)13(21-2)15(11)22-14(9)10/h3-5,16-18H,1-2H3 | c1cc(c2c(c1O)c(=O)c1c(c(c(cc1O)O)OC)o2)OC | ||
| challenge-189 | RRUQYJBEEQBWGK-UHFFFAOYSA-N | | 56776322 |
| InChI=1S/C21H32O10/c1-10(12(24)8-22)19(28)31-13-7-20(3)14(25)5-6-21(29,9-23)17(20)16(26)15(13)11(2)18(27)30-4/h12-17,22-26,29H,1-2,5-9H2,3-4H3 | C1CC(C2C(C1O)(CC(C(C2O)C(=C)C(=O)OC)OC(=O)C(=C)C(CO)O)C)(CO)O | ||
| challenge-190 | ZQHJXKYYELWEOK-UHFFFAOYSA-N | | 102582 | 
| 92654 | | InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19+,20+/m1/s1 | [C@]12(C([C@@](C(=O)O)(CCC2)C)CCC(=C)[C@H]1CCc1cocc1)C |
| challenge-191 | ARILQDNHZGKJBK-UHFFFAOYSA-N | | 202193 | 
| InChI=1S/C9H9NO2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11) | c1cccc(c1)C1OC(=O)NC1 | ||
| challenge-192 | VVSZRCIUFBADJQ-BJMVGYQFSA-N | | 38355910 |
| InChI=1S/C20H20O4/c1-14(2)11-12-24-17-7-3-15(4-8-17)5-10-19(22)18-9-6-16(21)13-20(18)23/h3-11,13,21,23H,12H2,1-2H3/b10-5+ | c1c(ccc(c1O)C(=O)/C=C/c1ccc(cc1)OCC=C(C)C)O | ||
| challenge-193 | ZHZZKRDEPZMPLJ-UHFFFAOYSA-N | | 14138137 |
| InChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9+,12-,13+,14+/m1/s1 | C12=C(C[C@@H]([C@@H]3[C@@H]([C@H]1C(=CC2=O)CO)OC(=O)[C@@H]3C)O)C | ||
| challenge-194 | UOUFYEQUUCSLPP-UHFFFAOYSA-N | | 38362104 | 
| InChI=1S/C21H24O4/c1-15(2)10-11-23-18-8-6-16(7-9-18)4-5-17-12-19(22-3)21-20(13-17)24-14-25-21/h6-10,12-13H,4-5,11,14H2,1-3H3 | c1(cc(cc2c1OCO2)CCc1ccc(cc1)OCC=C(C)C)OC | ||
| challenge-195 | MVOUGOXRXQDXDC-UHFFFAOYSA-N | | 3559211 |
| 2796851 | | InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1 | c1(c(c(c2c(c1[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)oc(cc2=O)c1ccc(cc1)O)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O |
| challenge-196 | TZOHVRDKXUMVIU-UHFFFAOYSA-N | | 44257521 | 
| InChI=1S/C20H22O8/c1-23-14-7-10-6-11(9-28-16(10)20(27-5)18(14)25-3)12-8-13(21)17(24-2)19(26-4)15(12)22/h7-8,11H,6,9H2,1-5H3 | c1(c(c(c2c(c1)CC(CO2)C1=CC(=O)C(=C(C1=O)OC)OC)OC)OC)OC | ||
| challenge-197 | VPBGBMLWGOFHSN-UHFFFAOYSA-N | | 23955869 |
| InChI=1S/C33H40O19/c1-11-30(52-33-28(44)24(40)22(38)18(8-34)50-33)26(42)29(45)31(48-11)47-10-19-23(39)25(41)27(43)32(51-19)49-14-6-16(36)20-17(7-14)46-9-15(21(20)37)12-2-4-13(35)5-3-12/h2-7,9,11,18-19,22-36,38-45H,8,10H2,1H3 | c1(cc(c2c(c1)occ(c2=O)c1ccc(cc1)O)O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O | ||
| challenge-198 | MYQAATJJIDGOMQ-UHFFFAOYSA-N | | 44257412 | 
| InChI=1S/C23H22O8/c1-11(9-24)16-6-13-15(30-16)5-4-12-21(13)31-20-10-29-17-8-19(28-3)18(27-2)7-14(17)23(20,26)22(12)25/h4-5,7-8,16,20,24,26H,1,6,9-10H2,2-3H3/t16-,20-,23-/m1/s1 | c1c2c(c3c(c1)C(=O)[C@@]1([C@H](O3)COc3c1cc(c(c3)OC)OC)O)C[C@@H](O2)C(=C)CO | ||
| challenge-199 | RNQBLQALVMHBKH-UHFFFAOYSA-N | | 390362 |
| InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H | Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1C1C(Oc2cc(cc(c2C1=O)O)O)c1ccc(O)cc1)O | ||
| challenge-200 | XDSHNNRBLSBDAP-SNAWJCMRSA-N | | 5839209 | 
| 4718503 | | InChI=1S/C12H14O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-8H,1-3H3/b5-4+ | c1(c(c(cc(c1)/C=C/C=O)OC)OC)OC |
| challenge-201 | DHPGIJYSTONUPM-UHFFFAOYSA-N | | 56776185 |
| InChI=1S/C20H26O7/c1-11-6-15-20(9-21)16(13(22)2-4-18(20,24)10-26-15)19(11)7-14(27-17(19)23)12-3-5-25-8-12/h3,5,8,11,13-16,21-22,24H,2,4,6-7,9-10H2,1H3 | C1CC2(C3(C(C1O)C1(C(CC3OC2)C)CC(OC1=O)c1cocc1)CO)O | ||
| challenge-202 | UDVTWMLZUGXNQM-UHFFFAOYSA-N | | 57509389 |
| InChI=1S/C23H32O6/c1-7-8-15(11-17(24)25)18-22(28-6)16(10-9-12(2)3)21(27)19-20(26)13(4)14(5)29-23(18)19/h9,13-15,27H,7-8,10-11H2,1-6H3,(H,24,25) | C(=C(C)C)Cc1c(OC)c(c2c(c1O)C(=O)C(C(O2)C)C)C(CC(=O)O)CCC | ||
| challenge-203 | KLPWVMFJDOIILT-UHFFFAOYSA-N | | 57509430 |
| InChI=1S/C15H20O4/c1-8-10(16)4-5-14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h9,12,18H,4-7H2,1-3H3 | C1C(=O)C(=C2C(C1)(CCC1(C2OC(=O)C1C)O)C)C | ||
| challenge-204 | FKMASXTUONWHBB-UHFFFAOYSA-N | | 57509357 |
| InChI=1S/C24H30O11/c1-13(26)24(32,10-14-2-6-16(27)7-3-14)23(31)33-12-15-4-8-17(9-5-15)34-22-21(30)20(29)19(28)18(11-25)35-22/h2-9,13,18-22,25-30,32H,10-12H2,1H3 | c1c(ccc(c1)COC(=O)C(C(O)C)(Cc1ccc(cc1)O)O)OC1OC(C(C(C1O)O)O)CO | ||
| challenge-205 | QKUFZFLZBUSEHN-UHFFFAOYSA-N | | 25018668 | 
| InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1 | [C@H]12[C@H]([C@@H](C(=C(C1)C)[C@H](CCCOC(=O)C)C)O)C(=C)C(=O)O2 | ||
| challenge-206 | BTCICADMSGBCKA-UHFFFAOYSA-N | | 57509362 |
| InChI=1S/C32H26O10/c1-39-19-7-3-15(4-8-19)31-27(29(37)25-21(35)11-17(33)13-23(25)41-31)28-30(38)26-22(36)12-18(34)14-24(26)42-32(28)16-5-9-20(40-2)10-6-16/h3-14,27-28,31-36H,1-2H3 | O(c1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1C1C(Oc2cc(cc(c2C1=O)O)O)c1ccc(OC)cc1)O)C | ||
| challenge-207 | LQUPEGJECBPTCO-UHFFFAOYSA-N | | 71262891 |
| InChI=1S/C20H30O11/c1-27-11-4-2-10(3-5-11)6-7-28-20-18(26)16(24)15(23)13(31-20)9-30-19-17(25)14(22)12(21)8-29-19/h2-5,12-26H,6-9H2,1H3/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1 | c1c(ccc(c1)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)OC | ||
| challenge-208 | PUFYSEQCTZERQM-UHFFFAOYSA-N | | 57509507 |
| InChI=1S/C20H30O4/c1-11-12-5-6-15-18(2,3)8-7-16(21)19(15,4)14(12)10-20(23)13(11)9-17(22)24-20/h9,11-12,14-16,21,23H,5-8,10H2,1-4H3 | C1CC(C2C(C1O)(C1C(CC2)C(C2=CC(=O)OC2(C1)O)C)C)(C)C | ||
| challenge-209 | GHCZYXUOYFOXIP-UHFFFAOYSA-N | | 4871 |
| InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3 | c1(c(c2c(occ(c2=O)c2ccc(c(c2)O)O)c2c1OC(C=C2)(C)C)O)CC=C(C)C | ||
| challenge-210 | KNFOHFRALRKTOJ-UHFFFAOYSA-N | | 45027869 |
| InChI=1S/C26H34O11/c1-33-19-8-13(3-5-17(19)29)7-15-12-35-25(16(15)10-27)14-4-6-18(20(9-14)34-2)36-26-24(32)23(31)22(30)21(11-28)37-26/h3-6,8-9,15-16,21-32H,7,10-12H2,1-2H3 | C1(C(C(OC1)c1ccc(c(c1)OC)OC1OC(C(C(C1O)O)O)CO)CO)Cc1ccc(c(c1)OC)O | ||
| challenge-211 | GZVIQGVWSNEONZ-UHFFFAOYSA-N | | 14427394 | 
| InChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2 | c1c(ccc(c1)CCC(CC(CCc1ccc(cc1)O)O)O)O | ||
| challenge-212 | UWQYBLOHTQWSQD-UHFFFAOYSA-N | | 5481958 |
| 4587687 | | InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 | c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)CC=C(C)C)c1ccc(cc1O)O)O)O |
| challenge-213 | SSQAXSNCMRBPGJ-UHFFFAOYSA-N | | 57509371 | 
| InChI=1S/C29H40N2O5/c1-6-18-17-31(32)10-8-20-14-27(34-3)29(36-5)16-23(20)25(31)12-21(18)11-24-22-15-28(35-4)26(33-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3 | c1(c(cc2c(c1)CC[N+]1(C2CC(C(C1)CC)CC1c2c(CCN1)cc(c(c2)OC)OC)[O-])OC)OC | ||
| challenge-214 | BQIVXBUAUNSLAJ-UHFFFAOYSA-N | | 23955805 | 
| InChI=1S/C23H24O4/c1-22(2)13-9-10-23(3)18(13)19(22)17-15(27-23)11-14(24)16(21(17)26)20(25)12-7-5-4-6-8-12/h4-8,11,13,18-19,24,26H,9-10H2,1-3H3 | c1(c(cc2c(c1O)C1C3C(O2)(C)CCC3C1(C)C)O)C(=O)c1ccccc1 | ||
| challenge-215 | AHNUBWYOIHCGFN-UHFFFAOYSA-N | | 376403 | 
| InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3 | C1(=O)C2(Cc3c1c1c(cc3)OCO1)c1cc(c(cc1CCN2C)OC)O | ||
| challenge-216 | YFZSQPRYLBGYKE-UHFFFAOYSA-N | | 13940619 |
| InChI=1S/C23H24O12/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-14(33-12)7-15(22(32-2)19(17)28)34-23-21(30)20(29)18(27)16(8-24)35-23/h3-7,16,18,20-21,23-25,27-30H,8H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)OC)O)OC | ||
| challenge-217 | VJVXQSFKTVUEFY-XGICHPGQSA-N | | 24094122 | 
| InChI=1S/C21H22O7/c1-5-12(2)20(23)27-15(21(3,4)24)11-26-19-17-14(8-9-25-17)10-13-6-7-16(22)28-18(13)19/h5-10,15,24H,11H2,1-4H3/b12-5- | c1(c2c(cc3c1oc(=O)cc3)cco2)OCC(C(C)(C)O)OC(=O)/C(=C\C)/C | ||
| challenge-218 | AKNILCMFRRDTEY-UHFFFAOYSA-N | | 3081484 |
| 2339083 | | InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]1OC=C[C@@H]2[C@H]1[C@@]1([C@H]([C@H]2OC(=O)c2cc(c(cc2)O)OC)O1)CO |
| challenge-219 | LJNNQVFOVQWDMN-UHFFFAOYSA-N | | 57509435 |
| InChI=1S/C27H38O8/c1-8-13(2)23(31)35-27-20(24(27,6)7)18-10-17(12-28)11-25(32)19(9-14(3)21(25)30)26(18,33)15(4)22(27)34-16(5)29/h9-10,13,15,18-20,22,28,32-33H,8,11-12H2,1-7H3 | C12(C(C=C(C1=O)C)C1(C(C=C(C2)CO)C2C(C(C1C)OC(=O)C)(C2(C)C)OC(=O)C(CC)C)O)O | ||
| challenge-220 | QPQHCRKTYXPSQG-XGICHPGQSA-N | | 24039335 | 
| InChI=1S/C21H22O7/c1-5-12(2)20(24)28-21(3,4)15(22)11-26-19-17-14(8-9-25-17)10-13-6-7-16(23)27-18(13)19/h5-10,15,22H,11H2,1-4H3/b12-5- | c1(c2c(cc3c1occ3)ccc(=O)o2)OCC(C(C)(C)OC(=O)/C(=C\C)/C)O | ||
| challenge-221 | CJBZJZGULKATPY-UHFFFAOYSA-N | | 5323543 |
| 4481095 | | InChI=1S/C24H26O6/c1-12(2)6-8-14-17(25)11-18(26)20-21(28)16-10-19(27)23(29-5)15(9-7-13(3)4)22(16)30-24(14)20/h6-7,10-11,25-27H,8-9H2,1-5H3 | c1(c(cc2c(c1CC=C(C)C)oc1c(c2=O)c(cc(c1CC=C(C)C)O)O)O)OC |
| challenge-222 | ARNVYCOTFWJTBS-UHFFFAOYSA-N | | 10478290 |
| 8653699 | | InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3 | c1(c(c(c2c(c1)OCC(C2=O)c1c(c(c(cc1)O)CC=C(C)C)OC)O)CC=C(C)C)O |
| challenge-223 | VJSCHQMOTSXAKB-YCRREMRBSA-N | | 24096391 |
| InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+ | c1cc(ccc1C(CNC(=O)/C=C/c1ccc(c(c1)OC)O)O)O | ||
| challenge-224 | YBVIOLRRXMAGAE-UHFFFAOYSA-N | | 56776328 | 
| InChI=1S/C20H22O8/c1-22-13-7-10-14-11(8-27-15(10)19(25-4)18(13)24-3)9-6-12(21)17(23-2)20(26-5)16(9)28-14/h6-7,11,14,21H,8H2,1-5H3 | c1(c(c(c2c(c1)C1C(CO2)c2c(O1)c(c(c(c2)O)OC)OC)OC)OC)OC | ||
| challenge-225 | FVWJYYTZTCVBKE-UHFFFAOYSA-N | | 221023 | 
| InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 | [C@@]12([C@]3([C@@H]([C@@]4([C@H](C([C@H](CC4)O)(C)C)CC3)C)CC[C@@H]1[C@H]1[C@H](C(=C)C)CC[C@@]1(CC2)CO)C)C | ||
| challenge-226 | DQILVZOWLYBPKT-UHFFFAOYSA-N | | 15233655 |
| InChI=1S/C25H33Cl2N5O7/c1-3-15-25(39)32-10-14(26)19(27)21(32)24(38)31-20(12(2)34)23(37)30-17(11-33)22(36)29-16(9-18(35)28-15)13-7-5-4-6-8-13/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,35)(H,29,36)(H,30,37)(H,31,38) | C12N(CC(C1Cl)Cl)C(=O)C(NC(=O)CC(NC(=O)C(NC(=O)C(NC2=O)C(C)O)CO)c1ccccc1)CC | ||
| challenge-227 | KLKLIUIRQAMTAJ-UHFFFAOYSA-N | | 12084958 |
| 10284961 | | InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)25(15-3-7-17(32)8-4-15)26(30(39)27-21(35)9-18(33)10-22(27)36)20-13-40-24-12-19(34)11-23(37)28(24)29(20)38/h1-13,25-26,31-37H | c1(cc(c2c(c1)occ(c2=O)C(C(c1ccc(cc1)O)c1ccc(cc1)O)C(=O)c1c(cc(cc1O)O)O)O)O |
| challenge-228 | IHGAMZBDEOTTEW-UHFFFAOYSA-N | | 57509548 |
| InChI=1S/C23H22O13/c1-32-12-5-8(3-4-10(12)24)19-20(33-2)15(26)14-11(25)6-9(7-13(14)35-19)34-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-25,27-29H,1-2H3,(H,30,31) | c1(cc(c2c(c1)oc(c(c2=O)OC)c1cc(c(cc1)O)OC)O)OC1OC(C(C(C1O)O)O)C(=O)O | ||
| challenge-229 | PCSZTTAMZGNQNB-UHFFFAOYSA-N | | 44715831 |
| InChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3 | C(C(C(C)(C)O)O)(O)c1c(cc2c(c1)ccc(=O)o2)OC | ||
| challenge-230 | IJOCZMKYIFYFQK-UHFFFAOYSA-N | | 24096422 |
| InChI=1S/C20H30O6/c1-11-4-7-19(3)14(9-13(21)16(23)20(19)10-25-20)18(11,2)6-5-12-8-15(22)26-17(12)24/h8,11,13-16,21-23H,4-7,9-10H2,1-3H3 | C1(C(O)C2(C3(C(C1)C(C(CC3)C)(C)CCC1=CC(OC1=O)O)C)CO2)O | ||
| challenge-231 | GSWZMFDCPMPHDL-UHFFFAOYSA-N | | 11399874 | 
| 9574771 | | InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3 | c1cc(cc2c1OCO2)C(C(Oc1c(cc(cc1)C1C(C(C(O1)c1ccc(c(c1)OC)OC(C(c1cc(c(cc1)OC)OC)O)C)C)C)OC)C)O |
| challenge-232 | AFYIWKNGSIYXCQ-VMPITWQZSA-N | | 5862036 |
| 4726254 | | InChI=1S/C36H42O19/c1-15(50-23(39)8-5-16-3-6-17(7-4-16)51-34-29(44)27(42)25(40)21(12-37)52-34)19-11-36(55-32(19)47)10-9-18-20(31(46)48-2)14-49-33(24(18)36)54-35-30(45)28(43)26(41)22(13-38)53-35/h3-11,14-15,18,21-22,24-30,33-35,37-38,40-45H,12-13H2,1-2H3/b8-5+/t15-,18+,21+,22+,24+,25+,26+,27-,28-,29+,30+,33-,34+,35-,36?/m0/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1ccc(/C=C/C(=O)O[C@H](C2=CC3(OC2=O)[C@H]2[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)OC=C([C@H]2C=C3)C(=O)OC)C)cc1 |
| challenge-233 | SNGHLUWTFLYPMT-UHFFFAOYSA-N | | 329789 |
| 292147 | | InChI=1S/C26H28O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,19-20,28H,5,7,9,11H2,1-4H3/t13?,14-,19-,20+,23-,24-,25-,26+/m0/s1 | OC1=C2C(O[C@@H]3[C@@]2(C2[C@@](C1=O)([C@]14[C@@](CC2)([C@@H](OC(=O)[C@H]1O4)c1cocc1)C)C)COC(=O)C3)(C)C |
| challenge-234 | QXAYVHFIMKYRKA-UHFFFAOYSA-N | | 57509452 |
| InChI=1S/C20H26O4/c1-13-3-7-20-12-24-18(22)16(20)9-15(21)10-17(20)19(13,2)6-4-14-5-8-23-11-14/h5,8-9,11,13,15,17,21H,3-4,6-7,10,12H2,1-2H3 | C1(C=C2C3(C(C1)C(C(CC3)C)(CCc1cocc1)C)COC2=O)O | ||
| challenge-235 | ZAALQOFZFANFTF-UHFFFAOYSA-N | | 185559 | 
| InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3 | c12c(cc3c(c1)CCN(Cc1c(CC3=O)cc3c(c1)OCO3)C)OCO2 | ||
| challenge-236 | QJUWGGININGVSC-UHFFFAOYSA-N | | 11021438 | 
| InChI=1S/C17H18O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2 | c1cccc(c1)C(=O)CC(CCc1ccccc1)O | ||
| challenge-237 | KGNAXTMQQANFON-UHFFFAOYSA-N | | 60208884 |
| InChI=1S/C48H60N6O16/c1-24-42(61)51-31(16-18-38(56)57)46(65)52(3)32(19-26-7-12-29(67-6)13-8-26)44(63)50-25(2)45(64)54(5)34-20-27-9-14-30(15-10-27)68-36-22-28(21-33(43(62)49-24)53(4)47(34)66)11-17-35(36)69-48-41(60)40(59)39(58)37(23-55)70-48/h7-15,17,22,24-25,31-34,37,39-41,48,55,58-60H,16,18-21,23H2,1-6H3,(H,49,62)(H,50,63)(H,51,61)(H,56,57) | N1C(=O)C2N(C(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C1C)CCC(=O)O)C)Cc1ccc(cc1)OC)C)C)Cc1ccc(cc1)Oc1cc(ccc1OC1OC(C(C(C1O)O)O)CO)C2)C | ||
| challenge-238 | ISQUNAAALVXWGI-DFTZOVBQSA-N | | 14610541 |
| 17216190 | | InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+/t20?,21-,22-,23-,24-,25+,26+,27-,28-,30+,31+,32?/m1/s1 | OC(=O)/C(=C/C(C/C(=C/CC/C(=C/CCC(C=C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)/C)/C)O)/C |
| challenge-239 | FTVKHUHJWDMWIR-UHFFFAOYSA-N | | 45360052 | 
| InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2 | c1(ccc2c(c1)OC(CC2=O)c1ccc(cc1)OC1C(C(C(C(O1)CO)O)O)OC1C(C(CO1)(O)CO)O)O | ||
| challenge-240 | XWFQRXGYJJOFCO-UHFFFAOYSA-N | | 56776287 |
| InChI=1S/C20H22O9/c21-8-16-17(25)18(26)20(29-16)27-11-5-13(23)12-7-14(24)19(28-15(12)6-11)9-1-3-10(22)4-2-9/h1-6,14,16-26H,7-8H2 | c1(cc(c2c(c1)OC(C(C2)O)c1ccc(cc1)O)O)OC1OC(C(C1O)O)CO | ||
| challenge-241 | HBCGNAJUSBIBGA-UHFFFAOYSA-N | | 45359703 |
| InChI=1S/C46H76O18/c1-19(2)20(3)13-28(61-44-41(58)37(54)34(51)30(17-48)63-44)21(4)25-9-10-26-24-8-7-22-14-23(15-32(49)46(22,6)27(24)11-12-45(25,26)5)60-43-40(57)38(55)35(52)31(64-43)18-59-42-39(56)36(53)33(50)29(16-47)62-42/h7,21,23-44,47-58H,8-18H2,1-6H3 | C1C(CC2=CCC3C(C2(C1O)C)CCC1(C3CCC1C(C(CC(=C(C)C)C)OC1OC(C(O)C(O)C1O)CO)C)C)OC1OC(C(O)C(O)C1O)COC1OC(C(O)C(O)C1O)CO | ||
| challenge-242 | YGCYRQKJYWQXHG-UHFFFAOYSA-N | | 4662580 | 
| 3851571 | | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1 | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C[C@@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC1=CCOC1=O)C)C |
| challenge-243 | SDRRSTAVRUERNC-QPJJXVBHSA-N | | 6450095 |
| 4952732 | | InChI=1S/C35H46O20/c1-14-24(43)27(46)32(55-34-28(47)26(45)25(44)21(12-36)51-34)35(50-14)54-31-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(31)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1 | O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(c(c3)O)O)O[C@@H]([C@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)CO)O[C@H]([C@H](O)[C@H]1O)C |