EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CO3
InChI: InChI=1S/C20H21NO6S/c1-3-26-20(23)19-16(18-5-4-10-27-18)11-14(12-17(19)22)13-6-8-15(9-7-13)21-28(2,24)25/h4-10,12,16,19,21H,3,11H2,1-2H3/t16-,19+/m1/s1
SMILES: CC1=CO[C@@H]([C@H]([C@@H]1OC(=O)CO[C@@H](C)C2=CC=CC=C2)OC(=O)CO[C@@H](C)C3=CC=CC=C3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C43H50O8Si/c1-31-27-48-38(28-49-52(43(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37)42(51-40(45)30-47-33(3)35-21-13-8-14-22-35)41(31)50-39(44)29-46-32(2)34-19-11-7-12-20-34/h7-27,32-33,38,41-42H,28-30H2,1-6H3/t32-,33-,38+,41+,42+/m0/s1
SMILES: C/C=C\1/[C@@H]([C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C)O)OC(=O)C
InChI: InChI=1S/C25H38O5/c1-6-19-23(30-15(2)26)22(27)21-18-8-7-16-13-17(29-14-28-5)9-11-24(16,3)20(18)10-12-25(19,21)4/h6-7,17-18,20-23,27H,8-14H2,1-5H3/b19-6-/t17-,18+,20-,21+,22-,23-,24-,25+/m0/s1
SMILES: C[C@H](CO)NC(=O)C[C@H]1CC=CCC[C@@H](C(=O)O[C@H]([C@@H](NC1=O)COC)C2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C39H45N3O8/c1-25(22-43)40-35(44)21-27-15-7-4-8-20-33(38(46)50-36(26-13-5-3-6-14-26)34(24-48-2)41-37(27)45)42-39(47)49-23-32-30-18-11-9-16-28(30)29-17-10-12-19-31(29)32/h3-7,9-14,16-19,25,27,32-34,36,43H,8,15,20-24H2,1-2H3,(H,40,44)(H,41,45)(H,42,47)/t25-,27-,33+,34+,36+/m1/s1
SMILES: COC[C@H]1[C@@H](OC(=O)[C@H](CCC=CC[C@@H](C(=O)N1)CC(=O)N2CC3=CC=CC=C3C[C@H]2CO)CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C38H44N2O6/c1-45-26-34-36(28-15-7-3-8-16-28)46-38(44)31(21-27-13-5-2-6-14-27)19-10-4-9-18-30(37(43)39-34)23-35(42)40-24-32-20-12-11-17-29(32)22-33(40)25-41/h2-9,11-17,20,30-31,33-34,36,41H,10,18-19,21-26H2,1H3,(H,39,43)/t30-,31-,33+,34+,36+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@@H]2C3=C(C4=C(C=C3CC[N@+]2(C)CC(=O)N)OCO4)OC
InChI: InChI=1S/C22H25N3O5/c1-13-6-4-5-7-15(13)24-22(27)19-18-14(8-9-25(19,2)11-17(23)26)10-16-20(21(18)28-3)30-12-29-16/h4-7,10,19H,8-9,11-12H2,1-3H3,(H2-,23,24,26,27)/p+1/t19-,25+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3C(=O)C=C4[C@H]5C[C@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C(=O)O)C
InChI: InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23?,24+,25-,28-,29-,30+,31-,32-/m1/s1
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O.Cl
InChI: InChI=1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+;/m0./s1
SMILES: C[C@]12CCC3C(=CC(=O)[C@]4([C@@]3([C@H]([C@@H]([C@@H](C4)O)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@]1(CCC2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
InChI: InChI=1S/C33H54O14/c1-28(2,43)9-8-20(36)31(5,44)19-7-11-32(45)16-12-21(37)33(47-27-25(41)24(40)23(39)18(14-34)46-27)13-17(35)22(38)26(42)30(33,4)15(16)6-10-29(19,32)3/h12,15,17-20,22-27,34-36,38-45H,6-11,13-14H2,1-5H3/t15?,17-,18-,19?,20-,22-,23-,24+,25-,26+,27+,29-,30+,31-,32-,33-/m1/s1
SMILES: CC(=O)CCC(=O)O[C@@H]1[C@H]([C@@H]2[C@@H](CO[C@@H](O2)C3=CC=CC=C3)O[C@H]1OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C53H58O13/c1-36(54)28-29-44(55)64-50-48(46-43(62-52(50)56-2)35-61-51(65-46)41-26-16-7-17-27-41)66-53-49(60-33-40-24-14-6-15-25-40)47(59-32-39-22-12-5-13-23-39)45(58-31-38-20-10-4-11-21-38)42(63-53)34-57-30-37-18-8-3-9-19-37/h3-27,42-43,45-53H,28-35H2,1-2H3/t42-,43-,45-,46+,47+,48+,49-,50-,51+,52-,53+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22+,23+,24+,25+,27+,28+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@](C2=O)(C#C)OS(=O)(=O)C(F)(F)F)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C18H16F3NO6S2/c1-4-17(28-30(25,26)18(19,20)21)14(24)22-12(16(2,3)29-15(17)22)13(23)27-10-11-8-6-5-7-9-11/h1,5-9,12,15H,10H2,2-3H3/t12-,15+,17+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C3=CC(=C(C=C3N2)[N+](=O)[O-])[C@@H]([C@@H](C4=CC=CC=C4)Cl)Cl)O
InChI: InChI=1S/C22H18Cl2N2O3/c23-19(13-7-3-1-4-8-13)20(24)16-11-15-17(12-18(16)26(28)29)25-21(22(15)27)14-9-5-2-6-10-14/h1-12,19-22,25,27H/t19-,20+,21+,22+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC4=C3C=CC=N4
InChI: InChI=1S/C20H21N3O3/c24-18(22-17-9-3-8-16-15(17)7-4-11-21-16)10-12-23-19(25)13-5-1-2-6-14(13)20(23)26/h3-4,7-9,11,13-14H,1-2,5-6,10,12H2,(H,22,24)/t13-,14-/m0/s1
SMILES: CN1[C@@H]2CCCC[C@H]2N(P1(=O)/C=C/C[C@@H]3CCOC(=O)C3)C
InChI: InChI=1S/C16H27N2O3P/c1-17-14-7-3-4-8-15(14)18(2)22(17,20)11-5-6-13-9-10-21-16(19)12-13/h5,11,13-15H,3-4,6-10,12H2,1-2H3/b11-5+/t13-,14-,15-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2CC(=O)[C@@H]3[C@H](N4C5=CC=CC=C5N=C4NC3=C2)C6=CC=CC=C6Cl)OC
InChI: InChI=1S/C28H24ClN3O3/c1-34-24-12-11-16(15-25(24)35-2)17-13-21-26(23(33)14-17)27(18-7-3-4-8-19(18)29)32-22-10-6-5-9-20(22)30-28(32)31-21/h3-13,15,17,26-27H,14H2,1-2H3,(H,30,31)/t17-,26+,27+/m0/s1
SMILES: CC(=O)OC[C@@]1(C(=O)[C@H]2[C@@H](CO1)OC(O2)(C)C)OCCCl
InChI: InChI=1S/C13H19ClO7/c1-8(15)17-7-13(18-5-4-14)11(16)10-9(6-19-13)20-12(2,3)21-10/h9-10H,4-7H2,1-3H3/t9-,10-,13-/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)CO)C)O
InChI: InChI=1S/C25H29NO5/c1-18(28)25(2)17-26(24(29)16-27)15-21(25)20-11-12-22(30-3)23(14-20)31-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,18,21,27-28H,13,15-17H2,1-3H3/t18-,21+,25+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C(C)C)CCCO
InChI: InChI=1S/C28H37N3O5/c1-4-35-28-21(8-7-15-32)22(18(2)3)16-25(36-28)27(34)30-17-19-11-13-20(14-12-19)26(33)31-24-10-6-5-9-23(24)29/h5-6,9-14,16,18,21-22,28,32H,4,7-8,15,17,29H2,1-3H3,(H,30,34)(H,31,33)/t21-,22+,28+/m1/s1
SMILES: CCOC1C[C@]2(C[C@@]3(C[C@H]4[C@H]([C@@H]([C@@H]3[C@]25[C@@H]4OC(O5)(C)C)CO)CCOCOCC[Si](C)(C)C)O)CO1
InChI: InChI=1S/C27H48O8Si/c1-7-32-21-13-25(16-33-21)15-26(29)12-19-18(8-9-30-17-31-10-11-36(4,5)6)20(14-28)22(26)27(25)23(19)34-24(2,3)35-27/h18-23,28-29H,7-17H2,1-6H3/t18-,19+,20+,21?,22+,23-,25+,26-,27+/m1/s1
SMILES: CC(=O)OC1CC2=C(C=C(C(=C2OC1C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC
InChI: InChI=1S/C24H28O13/c1-9(26)34-16-6-11-15(33-2)7-14(29)23(37-24-20(32)19(31)18(30)17(8-25)35-24)22(11)36-21(16)10-3-4-12(27)13(28)5-10/h3-5,7,16-21,24-25,27-32H,6,8H2,1-2H3/t16?,17-,18-,19+,20-,21?,24+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C
InChI: InChI=1S/C20H31N3O/c1-16-7-3-5-9-18(16)21-20(24)15-22-11-13-23(14-12-22)19-10-6-4-8-17(19)2/h4,6,8,10,16,18H,3,5,7,9,11-15H2,1-2H3,(H,21,24)/p+1/t16-,18-/m1/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(C4(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H50O3/c1-20(2)11-10-12-21(3)23-15-18-31(8)24-13-14-26-29(5,6)27(35-22(4)33)16-17-30(26,7)28(24)25(34)19-32(23,31)9/h11,21,23,26-27H,10,12-19H2,1-9H3/t21-,23-,26+,27?,30+,31+,32-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2O)/C=C/C(=O)N3CCOCC3)[NH+]4CCOCC4)O)C
InChI: InChI=1S/C22H30N2O6/c1-22(2)21(27)19(24-9-13-29-14-10-24)18-16(30-22)5-3-15(20(18)26)4-6-17(25)23-7-11-28-12-8-23/h3-6,19,21,26-27H,7-14H2,1-2H3/p+1/b6-4+/t19-,21+/m1/s1
SMILES: CCCCCCC[C@@H]1C[C@H]1CCC(=O)O/C=C\C=C(\COC(=O)C)/Br
InChI: InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8-,19-10-/t17-,18-/m1/s1
SMILES: CC(C)C[C@H]1[C@H](C1(C)C)C(=O)[Si](C)(C)C2=CC=CC=C2
InChI: InChI=1S/C18H28OSi/c1-13(2)12-15-16(18(15,3)4)17(19)20(5,6)14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t15-,16-/m0/s1
SMILES: CC1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=CC=C4
InChI: InChI=1S/C19H19N/c1-13-10-11-18-17(12-13)15-8-5-9-16(15)19(20-18)14-6-3-2-4-7-14/h2-8,10-12,15-16,19-20H,9H2,1H3/t15-,16+,19+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]
InChI: InChI=1S/C20H29N3O6/c1-13-6-4-5-7-16(13)22-19(24)14(2)29-20(25)15-8-9-17(21-10-11-28-3)18(12-15)23(26)27/h8-9,12-14,16,21H,4-7,10-11H2,1-3H3,(H,22,24)/t13-,14+,16+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OCC4=CC=C(S4)C5=NC=CN=C5)/CO2)C)C)(C)O
InChI: InChI=1S/C42H61N5O11S/c1-11-34-42(8,52)35-17-30(45-27(6)48)23(2)18-41(7,54-21-28(20-53-35)46-55-22-29-12-13-33(59-29)31-19-43-14-15-44-31)38(25(4)36(49)26(5)39(51)57-34)58-40-37(50)32(47(9)10)16-24(3)56-40/h12-15,19,23-26,32,34-35,37-38,40,50,52H,11,16-18,20-22H2,1-10H3/b45-30?,46-28-/t23-,24-,25+,26-,32+,34-,35-,37-,38-,40+,41-,42-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@@H](C2)C3=CC=C(C=C3)F)C(=O)N(C)OC
InChI: InChI=1S/C17H23FN2O2/c1-19-13-8-9-15(19)16(17(21)20(2)22-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15+,16-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CN(C)[C@H](C)[C@H](C7=CC=CC=C7)O
InChI: InChI=1S/C44H44N2O6/c1-28-39(26-45(3)29(2)40(48)32-12-5-4-6-13-32)51-44(52-41(28)33-21-19-30(27-47)20-22-33)36-16-10-15-35(24-36)34-14-9-11-31(23-34)25-46-42(49)37-17-7-8-18-38(37)43(46)50/h4-24,28-29,39-41,44,47-48H,25-27H2,1-3H3/t28-,29-,39+,40-,41+,44+/m1/s1
SMILES: C[C@@H]1CN(C[C@H]2[C@@H]1C[C@@H]([C@@H]2C)OC(=O)/C=C(\C)/CC/C=C(\C)/C(=O)O)C
InChI: InChI=1S/C21H33NO4/c1-13(7-6-8-14(2)21(24)25)9-20(23)26-19-10-17-15(3)11-22(5)12-18(17)16(19)4/h8-9,15-19H,6-7,10-12H2,1-5H3,(H,24,25)/b13-9+,14-8+/t15-,16-,17-,18-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C
InChI: InChI=1S/C20H28N2O4S/c1-14-8-4-6-10-16(14)21-18(23)12-26-20(25)15-9-5-7-11-17(15)27-13-19(24)22(2)3/h5,7,9,11,14,16H,4,6,8,10,12-13H2,1-3H3,(H,21,23)/t14-,16+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@]([C@]13CC[C@@H](C3)C(C)(C)O)(O2)C
InChI: InChI=1S/C15H26O2/c1-10-5-6-12-14(4,17-12)15(10)8-7-11(9-15)13(2,3)16/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14-,15-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)CC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C24H32O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-18,22H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,22+,23+,24-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@H]([C@@H]([C@H](O[C@H]3OCCCSCCN)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C59H69NO11S/c60-32-35-72-34-19-33-64-59-57(56(68-41-49-30-17-6-18-31-49)54(66-39-47-26-13-4-14-27-47)51(70-59)43-63-37-45-22-9-2-10-23-45)71-58-52(61)55(67-40-48-28-15-5-16-29-48)53(65-38-46-24-11-3-12-25-46)50(69-58)42-62-36-44-20-7-1-8-21-44/h1-18,20-31,50-59,61H,19,32-43,60H2/t50-,51-,52+,53-,54-,55-,56+,57+,58+,59-/m1/s1
SMILES: CCOC(=O)/C=C\1/C=C[C@@](O1)(C)[C@@H](C[C@@H]2[C@@H]([C@H](CC=C2C)C(C)C)C(OC)OC)O
InChI: InChI=1S/C24H38O6/c1-8-29-21(26)13-17-11-12-24(5,30-17)20(25)14-19-16(4)9-10-18(15(2)3)22(19)23(27-6)28-7/h9,11-13,15,18-20,22-23,25H,8,10,14H2,1-7H3/b17-13-/t18-,19+,20-,22-,24+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C(C)(C)C)NC(=O)CC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C42H59NO13/c1-21-24(54-36(51)30(48)32(38(6,7)8)43-27(46)19-37(3,4)5)18-42(52)34(55-35(50)23-15-13-12-14-16-23)31-40(11,33(49)29(47)28(21)39(42,9)10)25(45)17-26-41(31,20-53-26)56-22(2)44/h12-16,24-26,29-32,34,45,47-48,52H,17-20H2,1-11H3,(H,43,46)/t24-,25-,26+,29+,30+,31-,32+,34-,40+,41-,42+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2C(=O)NC4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H19ClN2O3S/c1-12-2-8-16(9-3-12)26(24,25)22-11-13-10-17(13)18(22)19(23)21-15-6-4-14(20)5-7-15/h2-9,13,17-18H,10-11H2,1H3,(H,21,23)/t13-,17+,18-/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC(=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC7(O6)CC8=CC=CC=C8C7)C(=O)NCCO)C
InChI: InChI=1S/C36H38N2O11/c1-34(2)19-44-32(42)30(34)46-25(40)11-10-20-6-5-7-21(14-20)18-38-28-31(41)45-24-17-36(28,33(43)37-12-13-39)29(49-38)27-26(24)47-35(48-27)15-22-8-3-4-9-23(22)16-35/h3-11,14,24,26-30,39H,12-13,15-19H2,1-2H3,(H,37,43)/t24-,26+,27+,28+,29-,30+,36+/m1/s1
SMILES: C[C@@]1([C@@H]2[C@H](O[C@@H]1[C@@H](C3=CC(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)O)OC(O2)(C)C)O
InChI: InChI=1S/C23H22O9/c1-22(2)31-20-21(32-22)30-19(23(20,3)29)18(28)11-8-12(24)13-14(17(11)27)16(26)10-7-5-4-6-9(10)15(13)25/h4-8,18-21,24,27-29H,1-3H3/t18-,19-,20+,21-,23-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCN)CO)O
InChI: InChI=1S/C12H18N6O3/c13-1-2-14-11-10-12(16-5-15-11)18(6-17-10)9-3-7(20)8(4-19)21-9/h5-9,19-20H,1-4,13H2,(H,14,15,16)/t7-,8+,9+/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC7=CC=CC=C76)O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl
InChI: InChI=1S/C36H27Cl2F5N2O5/c37-35-14-20-18(11-12-19-22(20)32(48)44(31(19)47)16-7-2-1-3-8-16)24(23-17-9-5-4-6-15(17)10-13-21(23)46)36(35,38)34(50)45(33(35)49)30-28(42)26(40)25(39)27(41)29(30)43/h4-6,9-11,13,16,19-20,22,24,46H,1-3,7-8,12,14H2/t19-,20+,22-,24+,35+,36-/m0/s1
SMILES: CCN1C(=O)N[C@@H]([C@@H]([C@]1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C18H16F3N3O5S/c1-2-23-16(26)22-14(10-6-3-4-7-11(10)24(28)29)13(17(23,27)18(19,20)21)15(25)12-8-5-9-30-12/h3-9,13-14,27H,2H2,1H3,(H,22,26)/t13-,14-,17-/m1/s1
SMILES: CC(C)C(=O)[C@@H]1[C@@H]2C=C[C@H](C1=C(C)C)C23CCCC3
InChI: InChI=1S/C18H26O/c1-11(2)15-13-7-8-14(16(15)17(19)12(3)4)18(13)9-5-6-10-18/h7-8,12-14,16H,5-6,9-10H2,1-4H3/t13-,14+,16-/m1/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
InChI: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22-,23-,27-,28+,29+,30-/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CC3=CC=CS3)N2CC4=CC=CC=C4
InChI: InChI=1S/C18H18N2O3S3/c21-17(9-14-7-4-8-24-14)19-18-20(10-13-5-2-1-3-6-13)15-11-26(22,23)12-16(15)25-18/h1-8,15-16H,9-12H2/t15-,16+/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)OC)OC
InChI: InChI=1S/C47H43N5O9/c1-49-38-27-40(60-3)39(59-2)26-36(38)48-35(44(49)56)19-20-50-45(57)51-21-18-32-37(52(51)46(50)58)25-34-43(55)33(28-10-6-4-7-11-28)24-41(54)47(34,30-12-8-5-9-13-30)42(32)29-14-16-31(17-15-29)61-23-22-53/h4-18,24,26-27,34,37,42,53H,19-23,25H2,1-3H3/t34-,37+,42-,47-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)CC6=CC=CC=C6
InChI: InChI=1S/C30H27BrCl2N2O6/c1-2-41-21-10-6-9-19(24(21)36)23-17-11-12-18-22(26(38)34(25(18)37)14-16-7-4-3-5-8-16)20(17)13-29(32)27(39)35(15-31)28(40)30(23,29)33/h3-11,18,20,22-23,36H,2,12-15H2,1H3/t18-,20+,22-,23+,29+,30-/m0/s1
SMILES: CCN(CC)C1=CC(=NC(=N1)N2CCN(CC2)CC(=O)[C@]3(CC[C@@H]4[C@@]3(CC=C5[C@H]4CCC6=CC(=O)C=C[C@@]65C)C)O)N(CC)CC
InChI: InChI=1S/C37H54N6O3/c1-7-41(8-2)32-24-33(42(9-3)10-4)39-34(38-32)43-21-19-40(20-22-43)25-31(45)37(46)18-15-30-28-12-11-26-23-27(44)13-16-35(26,5)29(28)14-17-36(30,37)6/h13-14,16,23-24,28,30,46H,7-12,15,17-22,25H2,1-6H3/t28-,30+,35+,36+,37+/m1/s1
SMILES: CC(=O)NC1=NN([C@]2(S1)[C@@H]3[C@H](O[C@@H]2C4COC(O4)(C)C)OC(O3)(C)C)C(=O)C
InChI: InChI=1S/C17H25N3O7S/c1-8(21)18-14-19-20(9(2)22)17(28-14)11(10-7-23-15(3,4)25-10)24-13-12(17)26-16(5,6)27-13/h10-13H,7H2,1-6H3,(H,18,19,21)/t10?,11-,12+,13-,17-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C[C@H](CC[C@]34C=O)O
InChI: InChI=1S/C19H26O4/c1-18-6-5-14-12(13(18)2-3-17(18)23)9-16(22)15-8-11(21)4-7-19(14,15)10-20/h8,10-14,17,21,23H,2-7,9H2,1H3/t11-,12-,13-,14-,17-,18-,19-/m0/s1
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC)O)O
InChI: InChI=1S/C17H25N5O6/c1-4-6-20-14-9(15(26)21(7-5-2)17(20)27)19-8-22(14)16-11(24)10(23)12(28-16)13(25)18-3/h8,10-12,16,23-24H,4-7H2,1-3H3,(H,18,25)/t10-,11+,12-,16+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H21ClN2O2S/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)25(23,24)15-6-4-14(20)5-7-15/h3-8,11,17,19H,9-10,12H2,1-2H3/p+1/t17-,19+/m1/s1
SMILES: CN(CC=C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)F)O.Cl
InChI: InChI=1S/C19H20FNO.ClH/c1-3-9-21(2)17-10-14-11-18(22)16(20)12-15(14)19(17)13-7-5-4-6-8-13;/h3-8,11-12,17,19,22H,1,9-10H2,2H3;1H/t17-,19-;/m1./s1
SMILES: CCCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)N3CC[C@@]4(CCCC[C@H]4C3)O
InChI: InChI=1S/C25H33NO5/c1-4-7-18-14-22(27)31-23-16(2)21(10-9-20(18)23)30-17(3)24(28)26-13-12-25(29)11-6-5-8-19(25)15-26/h9-10,14,17,19,29H,4-8,11-13,15H2,1-3H3/t17-,19+,25-/m1/s1
SMILES: C[C@@H]1[C@@H](C2=CC3=C(C=C2O[C@@]1(C)N4CCCC4)OCO3)C5=CC=C(C=C5)OC
InChI: InChI=1S/C23H27NO4/c1-15-22(16-6-8-17(25-3)9-7-16)18-12-20-21(27-14-26-20)13-19(18)28-23(15,2)24-10-4-5-11-24/h6-9,12-13,15,22H,4-5,10-11,14H2,1-3H3/t15-,22-,23-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)C
InChI: InChI=1S/C27H21NO3/c1-15-8-7-9-17(14-15)28-25(30)23-22-18-10-3-5-12-20(18)27(16(2)29,24(23)26(28)31)21-13-6-4-11-19(21)22/h3-14,22-24H,1-2H3/t22?,23-,24+,27?/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OP(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OP(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)OCC7=CC=CC=C7
InChI: InChI=1S/C45H40F4O6P2/c1-50-45-44(52-29-32-10-6-3-7-11-32)43(55-57(39-24-16-35(48)17-25-39)40-26-18-36(49)19-27-40)42(41(53-45)30-51-28-31-8-4-2-5-9-31)54-56(37-20-12-33(46)13-21-37)38-22-14-34(47)15-23-38/h2-27,41-45H,28-30H2,1H3/t41-,42-,43+,44+,45+/m1/s1
SMILES: CC1=CCO[C@@H]2[C@@H]1O[C@]3(C[C@H]([C@@H](O[C@@H]3C2)C[C@@H](C)CO)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H42O5Si/c1-15(14-24)11-17-19(28-29(7,8)22(3,4)5)13-23(6)20(26-17)12-18-21(27-23)16(2)9-10-25-18/h9,15,17-21,24H,10-14H2,1-8H3/t15-,17+,18+,19-,20-,21-,23+/m1/s1
SMILES: CC(=O)OC[C@]1([C@@H](CC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)OC(=O)C5=CC6=C(C=C5)OCO6)C)OC(=O)C7=CC8=C(C=C7)OCO8)C
InChI: InChI=1S/C38H42O10/c1-21-16-38-17-25(21)7-10-30(38)36(3)12-11-32(47-34(40)23-5-8-26-28(13-23)45-19-43-26)37(4,18-42-22(2)39)31(36)15-33(38)48-35(41)24-6-9-27-29(14-24)46-20-44-27/h5-6,8-9,13-14,25,30-33H,1,7,10-12,15-20H2,2-4H3/t25-,30+,31+,32-,33+,36+,37-,38+/m1/s1
SMILES: CC1=CC=C(S1)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C15H21NOS/c1-9-3-6-14(18-9)15(17)16-10(2)13-8-11-4-5-12(13)7-11/h3,6,10-13H,4-5,7-8H2,1-2H3,(H,16,17)/t10-,11-,12+,13-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl
InChI: InChI=1S/C18H16ClFN2O5/c19-13-7-10(20)5-6-14(13)21-15(23)9-27-16(24)8-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-2,5-7,11-12H,3-4,8-9H2,(H,21,23)/t11-,12-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](C(=C(NC1=O)SCC(=O)OC)C#N)C2=CC=CC=C2Cl
InChI: InChI=1S/C18H17ClN2O5S/c1-3-26-18(24)15-14(10-6-4-5-7-12(10)19)11(8-20)17(21-16(15)23)27-9-13(22)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)/t14-,15-/m0/s1
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C20H23N3O5S/c24-18(13-23-19(25)16-8-1-2-9-17(16)20(23)26)21-14-6-5-7-15(12-14)29(27,28)22-10-3-4-11-22/h1-2,5-7,12,16-17H,3-4,8-11,13H2,(H,21,24)/t16-,17-/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C)O
InChI: InChI=1S/C47H40ClN5O5/c1-27-9-7-14-37(42(27)54)41-35-23-24-36-40(45(57)52(43(36)55)33-21-17-31(18-22-33)50-49-30-15-19-32(20-16-30)51(2)3)38(35)26-39-44(56)53(34-13-8-12-29(48)25-34)46(58)47(39,41)28-10-5-4-6-11-28/h4-23,25,36,38-41,54H,24,26H2,1-3H3/t36-,38+,39-,40-,41+,47+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=CC=C6
InChI: InChI=1S/C28H21NO7/c1-34-16-12-13-20(35-2)19(14-16)29-26(32)21-22(27(29)33)28(36-23(21)15-8-4-3-5-9-15)24(30)17-10-6-7-11-18(17)25(28)31/h3-14,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3I)C(=O)NCC4=CC(=CC=C4)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C42H57IN2O9/c1-6-8-12-21-42(22-13-9-7-2)52-35-25-30(24-34(37(35)54-42)51-40(50)32-17-10-11-18-33(32)43)38(48)44-26-28-15-14-16-29(23-28)39(49)45-31(27-46)19-20-36(47)53-41(3,4)5/h10-11,14-18,23,25,31,34-35,37,46H,6-9,12-13,19-22,24,26-27H2,1-5H3,(H,44,48)(H,45,49)/t31-,34+,35+,37-/m0/s1
SMILES: CCCNC(=O)N[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N)O
InChI: InChI=1S/C21H32N4O7/c1-3-8-23-20(30)25-15-10-21(31,11-16(26)17(15)27)19(29)24-14(18(22)28)9-12-4-6-13(32-2)7-5-12/h4-7,14-17,26-27,31H,3,8-11H2,1-2H3,(H2,22,28)(H,24,29)(H2,23,25,30)/t14-,15-,16+,17+,21-/m0/s1
SMILES: C[C@H](C=C1SCCCS1)[C@@](C)(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)O)OCC4=CC=CC=C4
InChI: InChI=1S/C25H33NO4S2/c1-18(15-22-31-13-6-14-32-22)25(2,30-16-19-7-4-3-5-8-19)24(28)29-17-20-9-11-26-12-10-21(27)23(20)26/h3-5,7-9,15,18,21,23,27H,6,10-14,16-17H2,1-2H3/t18-,21-,23-,25+/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC5(O4)CC6=CC=CC=C6C5)C(=O)NCCO)C
InChI: InChI=1S/C34H35NO10/c1-33(2)19-41-32(40)29(33)43-27(37)12-11-20-7-5-6-10-24(20)31(39)42-25-15-23(30(38)35-13-14-36)16-26-28(25)45-34(44-26)17-21-8-3-4-9-22(21)18-34/h3-12,16,25-26,28-29,36H,13-15,17-19H2,1-2H3,(H,35,38)/t25-,26-,28+,29+/m1/s1
SMILES: CC[C@@]1(CN2CC[C@@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)O
InChI: InChI=1S/C20H26N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h4-6,8,11,13,18-19,23-24H,3,7,9-10,12H2,1-2H3/t13-,18-,19+,20+/m1/s1
SMILES: C[Si](C)(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C12H20N2O5Si/c1-20(2,3)9-5-14(12(18)13-11(9)17)10-4-7(16)8(6-15)19-10/h5,7-8,10,15-16H,4,6H2,1-3H3,(H,13,17,18)/t7-,8+,10+/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN5CC[C@H](C5)O
InChI: InChI=1S/C32H39N3O5/c1-2-33-32(38)34-18-22-8-14-26(15-9-22)31-39-28(20-35-17-16-27(37)19-35)29(24-6-4-3-5-7-24)30(40-31)25-12-10-23(21-36)11-13-25/h3-15,27-31,36-37H,2,16-21H2,1H3,(H2,33,34,38)/t27-,28-,29-,30+,31?/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)C2=NN([C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI: InChI=1S/C25H18N4O5/c1-15-10-12-16(13-11-15)23(30)21-20-22(28(26-21)17-6-3-2-4-7-17)25(32)27(24(20)31)18-8-5-9-19(14-18)29(33)34/h2-14,20,22H,1H3/t20-,22-/m0/s1
SMILES: CCCCC[C@@H]1[C@H](O/C(=N/S(=O)(=O)C2=CC=C(C=C2)C)/O1)C(=C)I
InChI: InChI=1S/C17H22INO4S/c1-4-5-6-7-15-16(13(3)18)23-17(22-15)19-24(20,21)14-10-8-12(2)9-11-14/h8-11,15-16H,3-7H2,1-2H3/b19-17+/t15-,16-/m1/s1
SMILES: CC1=C2C(=O)CC[C@]([C@@]3(C2=C(C=C1)C=C(C3=O)C(C)C)C)(C)O
InChI: InChI=1S/C20H24O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-19(4,23)20(5,17(13)16)18(14)22/h6-7,10-11,23H,8-9H2,1-5H3/t19-,20+/m0/s1
SMILES: COC1=CC(=C(C=C1[C@H]2[C@@H](C(=CC3=C2C(=C(C=C3OC)OC)OC)CO)CO)OC)OC
InChI: InChI=1S/C24H30O8/c1-27-17-9-20(30-4)19(29-3)8-15(17)22-16(12-26)13(11-25)7-14-18(28-2)10-21(31-5)24(32-6)23(14)22/h7-10,16,22,25-26H,11-12H2,1-6H3/t16-,22+/m1/s1
SMILES: CN([C@H]1[C@@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC5=CC=CC=C5C=C4.Cl
InChI: InChI=1S/C26H28N2O.ClH/c1-27(25(29)17-19-12-13-20-8-2-3-9-21(20)16-19)26-23-11-5-4-10-22(23)18-24(26)28-14-6-7-15-28;/h2-5,8-13,16,24,26H,6-7,14-15,17-18H2,1H3;1H/t24-,26-;/m1./s1
SMILES: C[C@@H]1[C@H]2[C@@H]1[C@@]3(N(C2O)[C@H](CO3)C(C)(C)C)C
InChI: InChI=1S/C13H23NO2/c1-7-9-10(7)13(5)14(11(9)15)8(6-16-13)12(2,3)4/h7-11,15H,6H2,1-5H3/t7-,8-,9+,10-,11?,13-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC=C(C=C6)OCCO)C(=O)C=C(C5=O)C
InChI: InChI=1S/C33H31NO6/c1-3-19-4-8-21(9-5-19)34-32(38)24-13-12-23-25(29(24)33(34)39)17-26-30(27(36)16-18(2)31(26)37)28(23)20-6-10-22(11-7-20)40-15-14-35/h4-12,16,24-25,28-29,35H,3,13-15,17H2,1-2H3/t24-,25+,28-,29-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl
InChI: InChI=1S/C18H21ClN4O5/c1-11-4-2-3-7-18(11)16(26)23(17(27)22-18)9-15(25)28-10-14(24)21-13-6-5-12(19)8-20-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,22,27)(H,20,21,24)/t11-,18+/m0/s1