EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC)CC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O
InChI: InChI=1S/C42H58N2O12/c1-12-44(13-2)19-27-32-37(50)30-29(36(27)49)31-39(25(8)35(30)48)56-42(10,40(31)51)54-18-17-28(53-11)22(5)38(55-26(9)45)24(7)34(47)23(6)33(46)20(3)15-14-16-21(4)41(52)43-32/h14-18,20,22-24,28,33-34,38,46-50H,12-13,19H2,1-11H3,(H,43,52)/b15-14+,18-17+,21-16-/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCC(=O)OC)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H53N3O10SSi2/c1-20-17-33(27(36)32(25(20)35)16-14-13-15-23(34)39-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(37,38)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3/t22-,24+,26-,30-/m1/s1
SMILES: C[C@@H]1[C@@H](O1)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H19NO2/c1-13-17(21-13)16(12-14-8-4-2-5-9-14)19-18(20)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3,(H,19,20)/t13-,16-,17-/m1/s1
SMILES: C[C@]1([C@@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C4=CC=CC=C4)/C=C/C5=CC=CC=C5
InChI: InChI=1S/C28H26N2O3/c1-28(18-17-21-11-5-2-6-12-21)25(26(31)29(28)19-22-13-7-3-8-14-22)30-24(20-33-27(30)32)23-15-9-4-10-16-23/h2-18,24-25H,19-20H2,1H3/b18-17+/t24-,25-,28-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]3CC=CC[N+]34C[C@H]4[C@H]2O1)C.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C12H18NO2.ClHO4/c1-12(2)14-10-8-5-3-4-6-13(8)7-9(13)11(10)15-12;2-1(3,4)5/h3-4,8-11H,5-7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/t8-,9-,10-,11+,13?;/m0./s1
SMILES: C[C@@H]1C[C@@H](CC[C@@H]1/C=N/NC2=NC3=C(C4=CC=CC=C4N3)N=N2)CCC=C(C)C
InChI: InChI=1S/C23H30N6/c1-15(2)7-6-8-17-11-12-18(16(3)13-17)14-24-28-23-26-22-21(27-29-23)19-9-4-5-10-20(19)25-22/h4-5,7,9-10,14,16-18H,6,8,11-13H2,1-3H3,(H2,25,26,28,29)/b24-14+/t16-,17-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)F)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C23H32F2O3/c1-22-9-7-14(26)11-13(22)3-4-15-16-5-6-18(19(27)12-20(28)21(24)25)23(16,2)10-8-17(15)22/h3,14-18,21,26H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,22-,23-/m0/s1
SMILES: CCCCCCCCCCCCCCNC(=O)[C@H](CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)NC(=O)C)NC(=O)CCCCCCCCCCC
InChI: InChI=1S/C37H71N3O16S4/c1-4-6-8-10-12-14-15-16-18-20-22-24-26-38-36(43)30(40-32(42)25-23-21-19-17-13-11-9-7-5-2)28-57-37-33(39-29(3)41)35(56-60(50,51)52)34(55-59(47,48)49)31(54-37)27-53-58(44,45)46/h30-31,33-35,37H,4-28H2,1-3H3,(H,38,43)(H,39,41)(H,40,42)(H,44,45,46)(H,47,48,49)(H,50,51,52)/t30-,31+,33+,34-,35+,37-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2CC3=C(C=CN=C3NC2=O)N4CCNCC4)CO)O)O
InChI: InChI=1S/C17H25N5O5/c1-17(26)13(24)12(9-23)27-15(17)22-8-10-11(21-6-4-18-5-7-21)2-3-19-14(10)20-16(22)25/h2-3,12-13,15,18,23-24,26H,4-9H2,1H3,(H,19,20,25)/t12-,13-,15-,17-/m1/s1
SMILES: CCC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C[C@H](/C=C/C=C\4/[C@@]2([C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)OC4)O)C)\C)O[C@]5(C3)CC[C@@H]([C@H](O5)C)C
InChI: InChI=1S/C40H62O9Si/c1-11-34(41)44-23-29-20-33-37(42)46-32-21-31(48-39(22-32)18-17-27(4)28(5)47-39)16-15-26(3)19-25(2)13-12-14-30-24-45-36(40(30,33)43)35(29)49-50(9,10)38(6,7)8/h12-15,20,25,27-28,31-33,35-36,43H,11,16-19,21-24H2,1-10H3/b13-12+,26-15+,30-14+/t25-,27-,28+,31+,32-,33-,35+,36+,39-,40+/m0/s1
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(=O)[C@H]3[C@H](O3)C4=CC5=CC=CC=C5O4
InChI: InChI=1S/C24H17BrO4/c25-17-10-11-20(27-14-15-6-2-1-3-7-15)18(13-17)22(26)24-23(29-24)21-12-16-8-4-5-9-19(16)28-21/h1-13,23-24H,14H2/t23-,24+/m1/s1
SMILES: CC1([C@H](C[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)C4CC[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C
InChI: InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11?,12+,13+,14-,16-,19+,20-/m1/s1
SMILES: CC1=CC(=C(C2=C1CC[C@H]([C@H]2O)[C@H](C)C(=O)NCCN3CCOCC3)C)OCCOC
InChI: InChI=1S/C24H38N2O5/c1-16-15-21(31-14-13-29-4)18(3)22-19(16)5-6-20(23(22)27)17(2)24(28)25-7-8-26-9-11-30-12-10-26/h15,17,20,23,27H,5-14H2,1-4H3,(H,25,28)/t17-,20-,23+/m0/s1
SMILES: CC1=C(C[C@]2([C@H](C1)C3=CC=CC=C3)[C@H](C4=CC=CC=C4C2=O)C5=CC=CC=C5)C
InChI: InChI=1S/C28H26O/c1-19-17-25(21-11-5-3-6-12-21)28(18-20(19)2)26(22-13-7-4-8-14-22)23-15-9-10-16-24(23)27(28)29/h3-16,25-26H,17-18H2,1-2H3/t25-,26+,28+/m1/s1
SMILES: C[C@@H]1CCC[C@H](C=CC(=O)OC23[C@@H](C=CC1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O
InChI: InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26+,27-,29?/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)S(=O)(=O)C3=CC=CS3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=C(S5)C)C
InChI: InChI=1S/C36H47NO6S3/c1-25-8-5-17-35(3)31(16-18-36(35,40)24-37(19-7-20-43-4)46(41,42)33-9-6-21-44-33)29-14-12-27(22-28(38)13-10-25)23-30(29)34(39)32-15-11-26(2)45-32/h6,8-9,11-12,14-15,21,23,28,31,38,40H,5,7,10,13,16-20,22,24H2,1-4H3/t28-,31-,35-,36+/m0/s1
SMILES: CC(=O)O[C@H]1C=C([C@H]2C[C@@H]1OC2=O)C(=O)N=[N+]=[N-]
InChI: InChI=1S/C10H9N3O5/c1-4(14)17-7-2-5(9(15)12-13-11)6-3-8(7)18-10(6)16/h2,6-8H,3H2,1H3/t6-,7+,8+/m1/s1
SMILES: C1C[C@H]2[C@@H](NC3=C([C@H]2OC1)C=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C18H18ClNO/c19-13-8-9-16-15(11-13)18-14(7-4-10-21-18)17(20-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14,17-18,20H,4,7,10H2/t14-,17-,18-/m0/s1
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O
InChI: InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21?,24-,26+,27-,28?,29-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)NCCC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H20Cl2N2S/c17-13-4-3-11(14(18)9-13)5-6-19-16(21)20-15-8-10-1-2-12(15)7-10/h3-4,9-10,12,15H,1-2,5-8H2,(H2,19,20,21)/t10-,12+,15-/m0/s1
SMILES: CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)O
InChI: InChI=1S/C22H29NO5S/c1-3-8-28-22(27)18-14-7-4-11(2)9-15(14)29-20(18)23-19(24)16-12-5-6-13(10-12)17(16)21(25)26/h11-13,16-17H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+,16-,17+/m1/s1
SMILES: CC(C)(C)C1=C[C@@H]2[C@H](CC1)[C@@H]3CCC(=C[C@H]3OO2)C(C)(C)C
InChI: InChI=1S/C20H32O2/c1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)22-21-17(15)11-13/h11-12,15-18H,7-10H2,1-6H3/t15-,16+,17-,18-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCCCSCCC(=O)OC)OCCCSCCC(=O)OC)OCCCSCCC(=O)OC)OCCCSCCC(=O)OC
InChI: InChI=1S/C35H62O14S4/c1-40-28(36)10-22-50-18-6-14-45-26-27-32(46-15-7-19-51-23-11-29(37)41-2)33(47-16-8-20-52-24-12-30(38)42-3)34(35(44-5)49-27)48-17-9-21-53-25-13-31(39)43-4/h27,32-35H,6-26H2,1-5H3/t27-,32-,33+,34-,35+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=C(C=C3)N=CC=C4)(C#N)C#N)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H17FN4O/c27-19-10-8-17(9-11-19)23-24(25(32)18-5-2-1-3-6-18)31-21-7-4-14-30-20(21)12-13-22(31)26(23,15-28)16-29/h1-14,22-24H/t22-,23+,24-/m1/s1
SMILES: C1=CC(=CC=C1C(=O)O)C2(C(NC3=NC4=C(C(=O)N32)N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O
InChI: InChI=1S/C19H20N5O12P/c25-11-9(5-35-37(32,33)34)36-15(12(11)26)23-6-20-10-13(23)21-18-22-17(30)19(31,24(18)14(10)27)8-3-1-7(2-4-8)16(28)29/h1-4,6,9,11-12,15,17,25-26,30-31H,5H2,(H,21,22)(H,28,29)(H2,32,33,34)/t9-,11-,12-,15-,17?,19?/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)CCC(=O)OC4=CC=CC5=C4N=CC=C5
InChI: InChI=1S/C21H18N2O4/c24-16(27-15-5-1-3-12-4-2-9-22-19(12)15)8-10-23-20(25)17-13-6-7-14(11-13)18(17)21(23)26/h1-7,9,13-14,17-18H,8,10-11H2/t13-,14+,17-,18-/m0/s1
SMILES: C[C@@H]1CC[C@H](C2=C(C[C@H]([C@H]12)OC(=O)C)C)/C=C(\C)/C(=O)O
InChI: InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h8,15-16,18-19,21H,4-7,9-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,21+,23+,24-/m1/s1
SMILES: CC1([C@H]2C[C@@H]([C@H]([C@@H]1C2)NC(=O)OC(C)(C)C)CC=O)C
InChI: InChI=1S/C16H27NO3/c1-15(2,3)20-14(19)17-13-10(6-7-18)8-11-9-12(13)16(11,4)5/h7,10-13H,6,8-9H2,1-5H3,(H,17,19)/t10-,11-,12-,13+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@H]2[C@@]([C@@H]1OCC3=CC=CC=C3C4=CC=CC=C4)(C(=O)O)N)C(=O)O
InChI: InChI=1S/C21H21NO5/c22-21(20(25)26)16(10-15-17(18(15)21)19(23)24)27-11-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15-18H,10-11,22H2,(H,23,24)(H,25,26)/t15-,16+,17-,18-,21-/m0/s1
SMILES: C[C@]12CCC(=O)N([C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4N(C)C=O)C)C
InChI: InChI=1S/C21H34N2O2/c1-20-11-9-16-14(15(20)6-8-17(20)22(3)13-24)5-7-18-21(16,2)12-10-19(25)23(18)4/h13-18H,5-12H2,1-4H3/t14-,15-,16-,17-,18+,20-,21+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)O)O)O
InChI: InChI=1S/C8H14O7/c1-13-7(12)6-4(10)3(9)5(11)8(14-2)15-6/h3-6,8-11H,1-2H3/t3-,4-,5+,6-,8-/m0/s1
SMILES: CC(C)CC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)[C@@H]([C@H](O2)C(C)(C)O)OC
InChI: InChI=1S/C26H28O7/c1-13(2)11-16(27)19-21(29)18-15(14-9-7-6-8-10-14)12-17(28)32-22(18)20-23(19)33-25(24(20)31-5)26(3,4)30/h6-10,12-13,24-25,29-30H,11H2,1-5H3/t24-,25-/m0/s1
SMILES: CC(C)NC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC=O)S(=O)C1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H27N3O7S/c1-16(2)28-26(33)35-13-19-14-37(34)24-20(27-15-30)23(31)29(24)21(19)25(32)36-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20,22,24H,13-14H2,1-2H3,(H,27,30)(H,28,33)/t20-,24-,37?/m1/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O3
InChI: InChI=1S/C16H15NO5/c18-14(17-9-3-1-2-7(4-9)15(19)20)12-8-5-10-11(6-8)22-16(21)13(10)12/h1-4,8,10-13H,5-6H2,(H,17,18)(H,19,20)/t8-,10+,11-,12-,13+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
InChI: InChI=1S/C25H21NO2S/c1-18-14-16-21(17-15-18)29(27,28)26-24(20-9-3-2-4-10-20)25(26)23-13-7-11-19-8-5-6-12-22(19)23/h2-17,24-25H,1H3/t24-,25-,26?/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO)O)O
InChI: InChI=1S/C34H44N4O11/c1-18(40)36-28-30(44)29(43)25(16-39)48-32(28)38-26(41)15-35-31(45)24(13-14-27(42)49-34(2,3)4)37-33(46)47-17-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,23-25,28-30,32,39,43-44H,13-17H2,1-4H3,(H,35,45)(H,36,40)(H,37,46)(H,38,41)/t24-,25+,28+,29+,30+,32+/m0/s1
SMILES: CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C22H27NO4/c1-15-6-7-19-18(13-26-20(19)10-15)11-22(25)27-14-21(24)23-9-8-16-4-2-3-5-17(16)12-23/h6-7,10,13,16-17H,2-5,8-9,11-12,14H2,1H3/t16-,17-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C=NC2=C([C@@H]3CCCC[C@H]3S2)C#N)OC
InChI: InChI=1S/C19H22N2O2S/c1-3-23-16-9-8-13(10-17(16)22-2)12-21-19-15(11-20)14-6-4-5-7-18(14)24-19/h8-10,12,14,18H,3-7H2,1-2H3/t14-,18+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1C)/C(=C/[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C)/C)C/C=C/C(=O)O)C
InChI: InChI=1S/C30H53NO7Si/c1-12-39(13-2,14-3)38-27-21(5)24(16-15-17-25(32)33)36-26(22(27)6)20(4)18-23-19-35-30(10,11)31(23)28(34)37-29(7,8)9/h15,17-18,21-24,26-27H,12-14,16,19H2,1-11H3,(H,32,33)/b17-15+,20-18+/t21-,22-,23+,24+,26-,27-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3[C@@H]([C@@H](C3=O)N4C(=O)C5=CC=CC=C5C4=O)/C=C/C6=CC=CC=C6)O
InChI: InChI=1S/C36H30N2O6/c1-23(39)30(36(43)44-32(25-15-7-3-8-16-25)26-17-9-4-10-18-26)37-29(22-21-24-13-5-2-6-14-24)31(35(37)42)38-33(40)27-19-11-12-20-28(27)34(38)41/h2-23,29-32,39H,1H3/b22-21+/t23-,29+,30+,31-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6Br
InChI: InChI=1S/C26H15BrClNO5/c27-17-7-3-4-8-18(17)29-24(32)19-20(25(29)33)26(34-21(19)13-9-11-14(28)12-10-13)22(30)15-5-1-2-6-16(15)23(26)31/h1-12,19-21H/t19-,20-,21-/m1/s1
SMILES: CC(C)(C)OC(=O)/N=C/1\N2CCC[C@H]2[C@H]([C@H](N1C(=O)OC(C)(C)C)CCCCCCCCCOCC3=CC=C(C=C3)OC)CO
InChI: InChI=1S/C35H57N3O7/c1-34(2,3)44-32(40)36-31-37-22-15-17-29(37)28(24-39)30(38(31)33(41)45-35(4,5)6)16-13-11-9-8-10-12-14-23-43-25-26-18-20-27(42-7)21-19-26/h18-21,28-30,39H,8-17,22-25H2,1-7H3/b36-31+/t28-,29+,30-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)NCC(=O)O)C4=CC=CC=C4Cl
InChI: InChI=1S/C21H19ClN2O3/c22-17-7-2-1-4-15(17)20-14-6-3-5-13(14)16-10-12(8-9-18(16)24-20)21(27)23-11-19(25)26/h1-5,7-10,13-14,20,24H,6,11H2,(H,23,27)(H,25,26)/t13-,14+,20-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N2C(=C1S[C@H]3C[C@@H](NC3)[C@@H](CCNC)O)C(=O)O)C(C)O
InChI: InChI=1S/C18H29N3O5S/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26)/t8-,9?,10+,11-,12-,13+,14-/m1/s1
SMILES: C[C@]12CCC(=C[C@@H]1CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CCC4=O)C)C#N
InChI: InChI=1S/C20H27NO/c1-19-9-7-13(12-21)11-14(19)3-4-15-16-5-6-18(22)20(16,2)10-8-17(15)19/h11,14-17H,3-10H2,1-2H3/t14-,15-,16+,17+,19-,20-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)[C@H]4CC5=CC=C(C=C5)C=O)C)C
InChI: InChI=1S/C35H52O2/c1-23(2)7-6-8-24(3)29-15-16-30-27-13-14-31-28(21-25-9-11-26(22-36)12-10-25)33(37)18-20-35(31,5)32(27)17-19-34(29,30)4/h9-12,22-24,27-32H,6-8,13-21H2,1-5H3/t24-,27+,28+,29-,30+,31+,32+,34-,35+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CCC(=O)C4)C)C)O
InChI: InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)25-24(30)15-21-19-14-23(29)22-13-18(28)9-11-26(22,4)20(19)10-12-27(21,25)5/h16-17,19-22,24-25,30H,6-15H2,1-5H3/t17-,19-,20+,21+,22-,24+,25+,26-,27+/m1/s1
SMILES: COC(=O)[C@H]1C[C@H]2C[NH+]([C@@H]1[C@@H]2Br)CC3=CC=CC=C3
InChI: InChI=1S/C15H18BrNO2/c1-19-15(18)12-7-11-9-17(14(12)13(11)16)8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/p+1/t11-,12-,13+,14-/m0/s1
SMILES: CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)C[C@@]3(C4CCC(=C)[C@H]5CCC(=C)[C@@H]5[C@H]4OC3=O)O
InChI: InChI=1S/C27H26O4S2/c1-4-5-17-8-11-22(32-17)23-13-12-21(33-23)20(28)14-27(30)19-10-7-15(2)18-9-6-16(3)24(18)25(19)31-26(27)29/h8,11-13,18-19,24-25,30H,2-3,6-7,9-10,14H2,1H3/t18-,19?,24+,25+,27+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)OC
InChI: InChI=1S/C19H24BrNO4/c1-13-5-3-4-6-16(13)21-18(22)12-25-19(23)10-7-14-11-15(20)8-9-17(14)24-2/h7-11,13,16H,3-6,12H2,1-2H3,(H,21,22)/b10-7+/t13-,16+/m0/s1
SMILES: CCOC([C@]1([C@@H]([C@H](C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)C(F)(F)F)C(=O)OCC)O)OCC
InChI: InChI=1S/C25H31F3N2O7/c1-5-34-22(32)20-19(16-10-8-11-17(14-16)25(26,27)28)18(21(31)37-13-9-12-29)15(4)30-24(20,33)23(35-6-2)36-7-3/h8,10-11,14,19-20,23,30,33H,5-7,9,13H2,1-4H3/t19-,20-,24-/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)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NN=NN5C
InChI: InChI=1S/C28H24F5N5O4S/c1-13-18(12-43-28-35-36-37-38(28)2)41-27(42-25(13)15-8-6-14(11-39)7-9-15)16-4-3-5-17(10-16)34-26(40)19-20(29)22(31)24(33)23(32)21(19)30/h3-10,13,18,25,27,39H,11-12H2,1-2H3,(H,34,40)/t13-,18+,25+,27+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@@](OC2(O1)CCCC2)(C=C)[C@]3([C@@H]([C@H]([C@@H](O3)COCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C43H72O10Si2/c1-18-42(34(35(44)49-37(2,3)4)48-41(53-42)26-22-23-27-41)43(36(45)50-38(5,6)7)33(52-55(16,17)40(11,12)13)32(51-54(14,15)39(8,9)10)31(47-43)29-46-28-30-24-20-19-21-25-30/h18-21,24-25,31-34H,1,22-23,26-29H2,2-17H3/t31-,32-,33+,34+,42-,43-/m0/s1
SMILES: C1COC2=C(O1)C=CC(=C2)[C@H]3[C@@H](O3)C(=O)C4=C(C=CC(=C4)F)OCC5=CC=CC=C5
InChI: InChI=1S/C24H19FO5/c25-17-7-9-19(29-14-15-4-2-1-3-5-15)18(13-17)22(26)24-23(30-24)16-6-8-20-21(12-16)28-11-10-27-20/h1-9,12-13,23-24H,10-11,14H2/t23-,24-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC/C/1=C/C[C@H]2[C@@H](C[C@H]3[C@H](O1)C[C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OCC6=CC=CC=C6)OC(O2)(C)C
InChI: InChI=1S/C40H58O8Si/c1-26(2)49(27(3)4,28(5)6)43-24-31-19-20-32-35(48-40(7,8)47-32)21-34-33(44-31)22-36(41-23-29-15-11-9-12-16-29)38-37(45-34)25-42-39(46-38)30-17-13-10-14-18-30/h9-19,26-28,32-39H,20-25H2,1-8H3/b31-19-/t32-,33+,34-,35+,36+,37+,38-,39+/m0/s1
SMILES: C[C@H]1/C=C/C/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)CO)/C)/C(F)(F)F
InChI: InChI=1S/C27H36F3NO6S/c1-15-7-6-8-18(27(28,29)30)9-10-20(16(2)11-19-14-38-22(13-32)31-19)37-23(34)12-21(33)26(4,5)25(36)17(3)24(15)35/h6-7,9,11,14-15,17,20-21,24,32-33,35H,8,10,12-13H2,1-5H3/b7-6+,16-11+,18-9+/t15-,17+,20-,21-,24-/m0/s1
SMILES: CC1=NN(C2=C1C[C@]([C@H]3N2CCC3)(C#N)C4=NN=C5N4CCCCC5)C6=CC=CC=C6
InChI: InChI=1S/C24H27N7/c1-17-19-15-24(16-25,23-27-26-21-12-6-3-7-13-30(21)23)20-11-8-14-29(20)22(19)31(28-17)18-9-4-2-5-10-18/h2,4-5,9-10,20H,3,6-8,11-15H2,1H3/t20-,24+/m0/s1
SMILES: CC(C)C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)CC[NH3+]
InChI: InChI=1S/C16H28N4O5/c1-8(2)5-11(15(18)24)20-16(25)9-6-10(14(23)12(21)7-9)19-13(22)3-4-17/h6,8,10-12,14,21,23H,3-5,7,17H2,1-2H3,(H2,18,24)(H,19,22)(H,20,25)/p+1/t10-,11-,12-,14-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2OC(=O)CCN4CCCCC4)CCC5=CC(=O)CC[C@@]35C
InChI: InChI=1S/C27H41NO3/c1-26-13-10-20(29)18-19(26)6-7-21-22-8-9-24(27(22,2)14-11-23(21)26)31-25(30)12-17-28-15-4-3-5-16-28/h18,21-24H,3-17H2,1-2H3/t21-,22+,23+,24+,26-,27-/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(C2)/C=N/O
InChI: InChI=1S/C20H25N3O/c1-2-20-9-5-10-22-11-8-16-15-6-3-4-7-17(15)23(18(16)19(20)22)14(12-20)13-21-24/h3-4,6-7,13-14,19,24H,2,5,8-12H2,1H3/b21-13+/t14?,19-,20+/m1/s1
SMILES: CN1C=C(C2=CC=CC=C21)[C@H](CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)N(C)C
InChI: InChI=1S/C21H25N3O2/c1-22(2)19(17-12-23(3)18-11-7-6-8-14(17)18)13-24-20(25)15-9-4-5-10-16(15)21(24)26/h4-8,11-12,15-16,19H,9-10,13H2,1-3H3/t15-,16+,19-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)C(Cl)(Cl)Cl)CSC4=CC=CC=C4OC
InChI: InChI=1S/C28H28Cl3NO5S/c1-17-23(16-38-24-6-4-3-5-22(24)35-2)36-26(37-25(17)19-9-7-18(15-33)8-10-19)20-11-13-21(14-12-20)32-27(34)28(29,30)31/h3-14,17,23,25-26,33H,15-16H2,1-2H3,(H,32,34)/t17-,23+,25+,26+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@@H]3C[C@@H](NC3)COCCF)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C17H25FN2O5S/c1-8-13-12(9(2)21)16(22)20(13)14(17(23)24)15(8)26-11-5-10(19-6-11)7-25-4-3-18/h8-13,19,21H,3-7H2,1-2H3,(H,23,24)/t8-,9-,10-,11-,12-,13-/m1/s1
SMILES: CC(=C)[C@H]1[C@H](C[C@]2(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)C)OS(=O)(=O)O
InChI: InChI=1S/C31H48O6S/c1-19(2)25-21-11-12-30(7)24(28(21,5)18-23(25)37-38(33,34)35)10-9-20-22-17-27(3,4)13-15-31(22,26(32)36-8)16-14-29(20,30)6/h9,21-25H,1,10-18H2,2-8H3,(H,33,34,35)/t21?,22-,23-,24+,25+,28-,29+,30+,31-/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@]3([C@H](CC4=C(C=C(C=C4O3)O)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChI: InChI=1S/C30H26O12/c31-14-7-19(34)15-10-26(40)30(42-25(15)8-14,13-2-4-18(33)22(37)6-13)27-23(38)11-20(35)16-9-24(39)28(41-29(16)27)12-1-3-17(32)21(36)5-12/h1-8,11,24,26,28,31-40H,9-10H2/t24-,26-,28+,30+/m0/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9)O
InChI: InChI=1S/C47H42N2O6/c1-2-10-30-13-9-16-36(43(30)51)42-34-21-22-35-41(46(54)49(45(35)53)33-19-17-32(18-20-33)48-23-25-55-26-24-48)38(34)27-39-44(52)37(29-11-5-3-6-12-29)28-40(50)47(39,42)31-14-7-4-8-15-31/h2-9,11-21,28,35,38-39,41-42,51H,1,10,22-27H2/t35-,38+,39-,41-,42+,47-/m0/s1
SMILES: CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCC[C@@H]3[C@@H]2CCCC3)Cl
InChI: InChI=1S/C18H24Cl2N2O/c1-12-8-9-14(19)18(17(12)20)21-16(23)11-22-10-4-6-13-5-2-3-7-15(13)22/h8-9,13,15H,2-7,10-11H2,1H3,(H,21,23)/p+1/t13-,15+/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CC[C@]45[C@@]3(CC(C(=O)[C@H]4O5)C(=O)OC)C
InChI: InChI=1S/C21H30O5/c1-19-8-7-14-11(13(19)4-5-15(19)22)6-9-21-17(26-21)16(23)12(18(24)25-3)10-20(14,21)2/h11-15,17,22H,4-10H2,1-3H3/t11?,12?,13?,14?,15-,17+,19-,20+,21+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H14F3N3O6/c1-2-26-11(21)9-10(7-3-5-8(6-4-7)20(24)25)18-12(22)19-13(9,23)14(15,16)17/h3-6,9-10,23H,2H2,1H3,(H2,18,19,22)/t9-,10-,13-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@H]4C[C@@H](O2)OC[C@@]3([C@@H]5[C@H]4O5)OC)OC)OC)OC
InChI: InChI=1S/C20H32O10/c1-21-7-10-14(22-2)15(23-3)16(24-4)19(27-10)30-18-12-9-6-11(28-18)26-8-20(12,25-5)17-13(9)29-17/h9-19H,6-8H2,1-5H3/t9-,10-,11-,12-,13+,14-,15+,16-,17+,18+,19+,20-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C18H13F3N4O3/c1-28-13-8-6-11(7-9-13)24-16(26)14-15(17(24)27)25(23-22-14)12-4-2-10(3-5-12)18(19,20)21/h2-9,14-15H,1H3/t14-,15-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=C(C=C4)O)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C46H33ClN2O7/c47-37-23-31(50)19-20-33(37)38-32-21-22-34-39(45(55)48(43(34)53)29-15-11-27(12-16-29)41(51)25-7-3-1-4-8-25)35(32)24-36-40(38)46(56)49(44(36)54)30-17-13-28(14-18-30)42(52)26-9-5-2-6-10-26/h1-21,23,34-36,38-40,50H,22,24H2/t34-,35+,36+,38+,39-,40+/m0/s1
SMILES: CC[C@H]1[C@@]([C@@H]([C@H](/C(=N/OCCNCCCCCCNCC2=CC(=CC=C2)OC3=CC=CC=C3)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C51H82N4O11/c1-12-42-51(8,60)46(58)35(4)43(54-62-28-27-52-25-18-13-14-19-26-53-32-38-21-20-24-40(30-38)64-39-22-16-15-17-23-39)33(2)31-50(7,61-11)47(36(5)44(56)37(6)48(59)65-42)66-49-45(57)41(55(9)10)29-34(3)63-49/h15-17,20-24,30,33-37,41-42,45-47,49,52-53,57-58,60H,12-14,18-19,25-29,31-32H2,1-11H3/b54-43+/t33-,34-,35+,36+,37-,41+,42+,45-,46-,47-,49+,50+,51-/m1/s1
SMILES: CC1=C(C=CC(=C1)F)[C@@H]2CN(CC[C@H]2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4CN(C4)C(=O)N(C)C
InChI: InChI=1S/C31H37F7N4O2/c1-18-11-22(32)7-8-24(18)25-17-41(23-15-42(16-23)28(44)39(4)5)10-9-26(25)40(6)27(43)29(2,3)19-12-20(30(33,34)35)14-21(13-19)31(36,37)38/h7-8,11-14,23,25-26H,9-10,15-17H2,1-6H3/t25-,26+/m0/s1
SMILES: CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@]3(C)C(=O)OC)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C23H24N4O5/c1-14(2)13-19-24-17-11-7-5-9-15(17)21(28)25(19)26-20(23(26,3)22(29)32-4)16-10-6-8-12-18(16)27(30)31/h5-12,14,20H,13H2,1-4H3/t20-,23+,26?/m0/s1
SMILES: C[C@@H]1[C@H](OC(O1)C2=CC3=C(C(=C2CC(=C)C)O)C(=O)C4=CC=CC=C4C3=O)C
InChI: InChI=1S/C23H22O5/c1-11(2)9-16-17(23-27-12(3)13(4)28-23)10-18-19(22(16)26)21(25)15-8-6-5-7-14(15)20(18)24/h5-8,10,12-13,23,26H,1,9H2,2-4H3/t12-,13-/m1/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H]2CC(=O)N(C2)[C@@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C21H30N2O3/c1-4-26-19-11-6-5-9-17(19)22-21(25)16-12-20(24)23(13-16)18-10-7-8-14(2)15(18)3/h5-6,9,11,14-16,18H,4,7-8,10,12-13H2,1-3H3,(H,22,25)/t14-,15-,16+,18+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@H]([C@H]3[C@H]2[C@@]1(CCC3=C)[N+]#[C-])C=C(C)C)C
InChI: InChI=1S/C21H31N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h11,15-20H,3,7-10,12H2,1-2,4-5H3/t15-,16-,17+,18+,19-,20-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@H]3[C@H]([C@@H]([C@@H]2CC(=O)O3)C(=O)OC)OC
InChI: InChI=1S/C19H24O8S/c1-11-4-6-13(7-5-11)28(22,23)26-10-12-8-15-18(24-2)17(19(21)25-3)14(12)9-16(20)27-15/h4-7,12,14-15,17-18H,8-10H2,1-3H3/t12-,14+,15-,17+,18+/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI: InChI=1S/C19H19N5O5/c20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)12(29-19)6-7-13(25)28-8-11-4-2-1-3-5-11/h1-7,9-10,12,15-16,19,26-27H,8H2,(H2,20,21,22)/b7-6+/t12-,15-,16-,19-/m1/s1
SMILES: C[C@@H]1C[C@@]2(CC[C@H]3[C@@H](C(C(=O)[C@H]([C@@]3([C@H]2C(=O)[C@@H]1OCOC)C)OC)Br)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C30H53BrO6Si/c1-17(2)38(18(3)4,19(5)6)37-15-30-13-12-22-21(8)23(31)24(32)28(35-11)29(22,9)27(30)25(33)26(20(7)14-30)36-16-34-10/h17-23,26-28H,12-16H2,1-11H3/t20-,21+,22+,23?,26-,27-,28-,29+,30+/m1/s1
SMILES: COC(=O)[C@H]1[C@H](ON(C1C2=CC=CO2)CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C18H19NO6/c1-22-17(20)14-15(13-9-6-10-24-13)19(25-16(14)18(21)23-2)11-12-7-4-3-5-8-12/h3-10,14-16H,11H2,1-2H3/t14-,15?,16+/m1/s1
SMILES: C1CN[C@H](C2=CC=CC=C21)C3=C([C@H]([C@H](CC3=O)C4=C(C=CC=C4Cl)F)N5C=NC=N5)O
InChI: InChI=1S/C23H20ClFN4O2/c24-16-6-3-7-17(25)19(16)15-10-18(30)20(23(31)22(15)29-12-26-11-28-29)21-14-5-2-1-4-13(14)8-9-27-21/h1-7,11-12,15,21-22,27,31H,8-10H2/t15-,21-,22+/m1/s1
SMILES: CN1C[C@H]2[C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4[C@@H](O2)O)OCO5.Cl
InChI: InChI=1S/C18H21NO5.ClH/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16;/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3;1H/t10-,15+,16+,17-,18+;/m1./s1