EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@]1(C[C@@H]2CC[C@@](C3=C(CC[N+](C2)(C1)CC4=CC=CC=C4)C5=CC=CC=C5N3)(C6=C(C=C7C(=C6)[C@]89CCN1[C@H]8[C@@](C=CC1)([C@H]([C@@]([C@@H]9N7C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O
InChI: InChI=1S/C52H65N4O8/c1-7-48(60)29-34-19-22-50(46(58)63-5,42-36(35-17-12-13-18-39(35)53-42)20-26-56(31-34,32-48)30-33-15-10-9-11-16-33)38-27-37-40(28-41(38)62-4)54(3)44-51(37)23-25-55-24-14-21-49(8-2,43(51)55)45(57)52(44,61)47(59)64-6/h9-18,21,27-28,34,43-45,53,57,60-61H,7-8,19-20,22-26,29-32H2,1-6H3/q+1/t34-,43-,44+,45+,48+,49+,50-,51+,52-,56?/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=NC(=NC(=N3)NC4=CC=CC=C4C)N
InChI: InChI=1S/C20H25N7O2/c1-12-7-3-4-9-14(12)22-18-24-15(23-17(21)25-18)11-27-16(28)20(26-19(27)29)10-6-5-8-13(20)2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,26,29)(H3,21,22,23,24,25)/t13-,20-/m1/s1
SMILES: C[N+]1=CC=C(C=C1)S/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCF)/C4=NSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C20H18FN7O5S3/c1-27-5-2-11(3-6-27)34-7-4-10-8-35-18-13(17(30)28(18)14(10)19(31)32)23-16(29)12(25-33-9-21)15-24-20(22)36-26-15/h2-7,13,18H,8-9H2,1H3,(H3-,22,23,24,26,29,31,32)/p+1/b7-4+,25-12-/t13-,18-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](C1=CC=CC=C1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)NC(=O)CN4C(=O)C5=C(C(=CC=C5)OC(=O)OC)OC4=O
InChI: InChI=1S/C30H26ClN5O12S/c1-13(32-18(37)11-35-25(40)15-9-6-10-17(47-30(45)46-2)22(15)48-29(35)44)23(38)33-19(14-7-4-3-5-8-14)24(39)34-20-26(41)36-21(28(42)43)16(31)12-49-27(20)36/h3-10,13,19-20,27H,11-12H2,1-2H3,(H,32,37)(H,33,38)(H,34,39)(H,42,43)/t13-,19+,20+,27+/m0/s1
SMILES: C[Si](C)(C)C#C[C@]1([C@H](OC([C@@H]1O)O)COC(=O)C2=CC=C(C=C2)Cl)O
InChI: InChI=1S/C17H21ClO6Si/c1-25(2,3)9-8-17(22)13(24-16(21)14(17)19)10-23-15(20)11-4-6-12(18)7-5-11/h4-7,13-14,16,19,21-22H,10H2,1-3H3/t13-,14+,16?,17-/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)CC4=CC=C(C=C4)CN5CCOCC5)OC.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C28H33N3O4.C4H4O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30;5-3(6)1-2-4(7)8/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t23-,24+;/m0./s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC5CCCCO5)C)C
InChI: InChI=1S/C26H40O3/c1-17(27)21-9-10-22-20-8-7-18-16-19(29-24-6-4-5-15-28-24)11-13-25(18,2)23(20)12-14-26(21,22)3/h7,19-24H,4-6,8-16H2,1-3H3/t19?,20-,21+,22-,23-,24?,25-,26+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC2=CC(=CC=C2)F)C)OC3[C@H]([C@@H](C[C@@H](O3)C)N(C)C4CC4)OC)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C41H64FNO11/c1-12-31-41(8,48)36(46)24(4)33(45)22(2)21-40(7,50-11)37(54-39-35(49-10)30(18-23(3)51-39)43(9)29-16-17-29)25(5)34(26(6)38(47)52-31)53-32(44)20-27-14-13-15-28(42)19-27/h13-15,19,22-26,29-31,34-37,39,46,48H,12,16-18,20-21H2,1-11H3/t22-,23+,24-,25+,26-,30-,31-,34+,35+,36-,37-,39?,40-,41-/m1/s1
SMILES: CCC(C)(C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C28H44O3/c1-6-27(4,31)15-7-9-19(2)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)3/h7,9,11-12,19,23-26,29-31H,3,6,8,10,13-18H2,1-2,4-5H3/b9-7+,21-11+,22-12-/t19-,23-,24-,25+,26+,27?,28-/m1/s1
SMILES: CC(=O)OC1=CC2=C(C=C1)C3CC[C@@]4(C(=O)[C@@H]5CC[C@]4(C5)C3CC2)C
InChI: InChI=1S/C22H26O3/c1-13(23)25-16-4-5-17-14(11-16)3-6-19-18(17)8-9-21(2)20(24)15-7-10-22(19,21)12-15/h4-5,11,15,18-19H,3,6-10,12H2,1-2H3/t15-,18?,19?,21-,22+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C40H31Cl2F3N4O6/c41-24-10-8-22(9-11-24)39-30(36(52)49(38(39)54)47-34-31(42)18-23(20-46-34)40(43,44)45)19-29-27(33(39)21-6-12-26(13-7-21)55-17-16-50)14-15-28-32(29)37(53)48(35(28)51)25-4-2-1-3-5-25/h1-14,18,20,28-30,32-33,50H,15-17,19H2,(H,46,47)/t28-,29+,30-,32-,33-,39+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=C(C=C8)C9=CC=CC=C9)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C60H64N2O8/c1-3-36-67-60-56(62(59(65)66-4-2)40-47-25-17-24-45-22-11-12-26-50(45)47)39-54(61-68-41-42-18-7-5-8-19-42)52-37-46(23-13-15-34-63)51(27-14-16-35-64)57(58(52)60)53-38-49(32-33-55(53)70-60)69-48-30-28-44(29-31-48)43-20-9-6-10-21-43/h3,5-12,17-22,24-26,28-33,37-38,46,51,56-58,63-64H,1,4,13-16,23,27,34-36,39-41H2,2H3/t46-,51+,56-,57+,58+,60+/m0/s1
SMILES: CCCOC(=O)NCCC(C)(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C34H47N3O11S/c1-4-15-44-32(39)35-14-13-34(2,3)21-37(49(41,42)24-10-11-28-29(18-24)47-22-46-28)19-27(38)26(17-23-8-6-5-7-9-23)36-33(40)48-30-20-45-31-25(30)12-16-43-31/h5-11,18,25-27,30-31,38H,4,12-17,19-22H2,1-3H3,(H,35,39)(H,36,40)/t25-,26-,27+,30-,31+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C(=CC=C8)F)O)C(=O)N(C7=O)CCC9=CC=C(C=C9)O)C
InChI: InChI=1S/C42H36ClFN4O6S/c1-20-27-17-22(43)9-14-32(27)55-37(20)31-19-33(46(3)45-31)48-39(52)29-18-28-24(35(42(29,2)41(48)54)26-5-4-6-30(44)36(26)50)12-13-25-34(28)40(53)47(38(25)51)16-15-21-7-10-23(49)11-8-21/h4-12,14,17,19,25,28-29,34-35,49-50H,13,15-16,18H2,1-3H3/t25-,28+,29-,34-,35+,42+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)COCC2=CC=CC=C2)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C31H40O4Si/c1-30(2,3)36(26-17-11-7-12-18-26,27-19-13-8-14-20-27)33-22-21-28-29(35-31(4,5)34-28)24-32-23-25-15-9-6-10-16-25/h6-20,28-29H,21-24H2,1-5H3/t28-,29-/m0/s1
SMILES: C1CCN([C@H](C1)[C@@H]2[C@@H](CCCOC2=O)O)CC3=CC=CC=C3
InChI: InChI=1S/C18H25NO3/c20-16-10-6-12-22-18(21)17(16)15-9-4-5-11-19(15)13-14-7-2-1-3-8-14/h1-3,7-8,15-17,20H,4-6,9-13H2/t15-,16-,17-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C41H34ClF2N5O5/c1-41-30(38(52)49(40(41)54)25-15-18-32(43)31(42)19-25)20-29-26(35(41)28-5-4-6-33(44)36(28)50)16-17-27-34(29)39(53)48(37(27)51)24-13-9-22(10-14-24)46-45-21-7-11-23(12-8-21)47(2)3/h4-16,18-19,27,29-30,34-35,50H,17,20H2,1-3H3/t27-,29+,30-,34-,35+,41+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CC[C@@H]2[C@@H](C3)C4=CN=C(C=C4)OC
InChI: InChI=1S/C19H22N2O3S/c1-13-3-7-16(8-4-13)25(22,23)21-15-6-9-18(21)17(11-15)14-5-10-19(24-2)20-12-14/h3-5,7-8,10,12,15,17-18H,6,9,11H2,1-2H3/t15-,17-,18+/m0/s1
SMILES: CCC(CC)(/C=C/C(=O)O[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C29H44O5/c1-6-29(33,7-2)16-14-27(32)34-20(4)24-12-13-25-21(9-8-15-28(24,25)5)10-11-22-17-23(30)18-26(31)19(22)3/h10-11,14,16,20,23-26,30-31,33H,3,6-9,12-13,15,17-18H2,1-2,4-5H3/b16-14+,21-10+,22-11-/t20-,23+,24+,25-,26-,28+/m0/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)N(C(=O)CN2CC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI: InChI=1S/C19H19FN2O3S/c20-15-8-6-14(7-9-15)10-21-11-19(23)22(16-4-2-1-3-5-16)18-13-26(24,25)12-17(18)21/h1-9,17-18H,10-13H2/t17-,18-/m0/s1
SMILES: C[C@H](C/C=C(\S(=O)(=O)C(C)(C)C)/Cl)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C28H41ClO4S/c1-18(9-14-26(29)34(32,33)27(3,4)5)23-12-13-24-20(8-7-15-28(23,24)6)10-11-21-16-22(30)17-25(31)19(21)2/h10-12,14,18,22,24-25,30-31H,2,7-9,13,15-17H2,1,3-6H3/b20-10+,21-11-,26-14-/t18-,22+,24+,25-,28-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=[Cr])C[C@H](CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI: InChI=1S/C39H44O2.5CO.Cr/c1-30-24-25-36(38(2,3)33-18-10-5-11-19-33)37(28-30)41-27-26-32(31-16-8-4-9-17-31)29-39(40,34-20-12-6-13-21-34)35-22-14-7-15-23-35;5*1-2;/h4-23,30,32,36-37,40H,24-26,28-29H2,1-3H3;;;;;;/t30-,32-,36-,37-;;;;;;/m1....../s1
SMILES: C[C@H](C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O
InChI: InChI=1S/C26H40O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-10,18,21,23-24,27-29H,1,6-7,11-16H2,2-5H3/b19-8+,20-9+/t18-,21-,23+,24+,26-/m1/s1
SMILES: C[C@@H]([C@@]1([C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C)NC(=O)C(Cl)(Cl)Cl)O
InChI: InChI=1S/C16H24Cl3NO7/c1-7(21)15(20-12(22)16(17,18)19)9(8-6-23-13(2,3)25-8)24-11-10(15)26-14(4,5)27-11/h7-11,21H,6H2,1-5H3,(H,20,22)/t7-,8+,9+,10-,11+,15-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3C[C@H]([C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](CC(=O)C5(C)C)O)C)C)O)C
InChI: InChI=1S/C30H48O3/c1-17(2)18-9-11-27(5)13-14-28(6)19(24(18)27)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h18-21,23-25,31,33H,1,9-16H2,2-8H3/t18-,19+,20+,21-,23+,24+,25-,27+,28+,29+,30+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)C4=CC=CC=C4)NCC5=CC=CO5
InChI: InChI=1S/C18H19N5O3/c1-2-5-12(6-3-1)18-20-21-22-23(18)15-11-26-16-14(10-25-17(15)16)19-9-13-7-4-8-24-13/h1-8,14-17,19H,9-11H2/t14-,15-,16+,17+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4O)C)OCC5=CC=CC=C5
InChI: InChI=1S/C26H38O2/c1-25-14-12-20(28-17-18-6-4-3-5-7-18)16-19(25)8-9-21-22-10-11-24(27)26(22,2)15-13-23(21)25/h3-7,19-24,27H,8-17H2,1-2H3/t19-,20-,21+,22+,23-,24-,25-,26-/m0/s1
SMILES: C[C@H]([C@H](C(=O)[O-])NC(=O)CCC(=O)OCC(=O)[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O
InChI: InChI=1S/C29H39NO10/c1-15(31)25(26(37)38)30-22(35)6-7-23(36)40-14-21(34)29(39)11-9-19-18-5-4-16-12-17(32)8-10-27(16,2)24(18)20(33)13-28(19,29)3/h8,10,12,15,18-20,24-25,31,33,39H,4-7,9,11,13-14H2,1-3H3,(H,30,35)(H,37,38)/p-1/t15-,18+,19+,20-,24-,25-,27+,28+,29-/m1/s1
SMILES: COC1=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)CCCCCC(=O)O)O
InChI: InChI=1S/C39H37ClN2O8/c1-50-31-19-22(14-17-30(31)43)34-26-15-16-27-33(37(48)41(35(27)46)18-7-3-6-13-32(44)45)28(26)21-29-36(47)42(25-12-8-11-24(40)20-25)38(49)39(29,34)23-9-4-2-5-10-23/h2,4-5,8-12,14-15,17,19-20,27-29,33-34,43H,3,6-7,13,16,18,21H2,1H3,(H,44,45)/t27-,28+,29-,33-,34-,39+/m0/s1
SMILES: CC[C@@]1(C[C@H]2CN(C1)CCC3C([C@@H]([C@H]2C4=CC5=C(C=C4OC)N(C6[C@]57CCN8C7[C@@](C=CC8)([C@H]([C@@]6(C(=O)N)O)O)CC)C)C(=O)OC)NC9=CC=CC=C39)O
InChI: InChI=1S/C43H57N5O7/c1-6-40(52)21-24-22-47(23-40)17-13-26-25-11-8-9-12-29(25)45-34(26)33(35(49)55-5)32(24)27-19-28-30(20-31(27)54-4)46(3)37-42(28)15-18-48-16-10-14-41(7-2,36(42)48)38(50)43(37,53)39(44)51/h8-12,14,19-20,24,26,32-34,36-38,45,50,52-53H,6-7,13,15-18,21-23H2,1-5H3,(H2,44,51)/t24-,26?,32+,33+,34?,36?,37?,38+,40-,41+,42+,43-/m0/s1
SMILES: CCC[C@H]\1[C@@H](N[C@@H]([C@@H](/C1=N\O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C21H26N2O/c1-3-10-18-20(23-24)15(2)19(16-11-6-4-7-12-16)22-21(18)17-13-8-5-9-14-17/h4-9,11-15,18-19,21-22,24H,3,10H2,1-2H3/b23-20+/t15-,18+,19-,21-/m0/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC4=C(C=C3)OC(=C4)C(=O)N5CC5
InChI: InChI=1S/C18H19N3O3/c22-17(20-14-9-12-2-3-13(14)19-12)10-1-4-15-11(7-10)8-16(24-15)18(23)21-5-6-21/h1,4,7-8,12-14,19H,2-3,5-6,9H2,(H,20,22)/t12-,13+,14-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@@H]3N2C/C(=C\C4=CC=C(C=C4)C5=CC=CO5)/[C@H]1C3
InChI: InChI=1S/C22H23NO3/c1-25-22(24)21-18-12-17-8-9-19(21)23(17)13-16(18)11-14-4-6-15(7-5-14)20-3-2-10-26-20/h2-7,10-11,17-19,21H,8-9,12-13H2,1H3/b16-11+/t17-,18+,19+,21-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)OCCCCN6C(=O)C7=CC=CC=C7C6=O)O
InChI: InChI=1S/C42H41N3O10/c1-51-30-18-14-28(15-19-30)42(27-10-4-3-5-11-27,29-16-20-31(52-2)21-17-29)54-26-34-36(47)37(40(55-34)45-24-22-35(46)43-41(45)50)53-25-9-8-23-44-38(48)32-12-6-7-13-33(32)39(44)49/h3-7,10-22,24,34,36-37,40,47H,8-9,23,25-26H2,1-2H3,(H,43,46,50)/t34-,36-,37-,40-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C18H27N3O3S/c1-11-6-5-7-15(12(11)2)19-18(25)21-20-17(22)14-9-8-13(23-3)10-16(14)24-4/h8-12,15H,5-7H2,1-4H3,(H,20,22)(H2,19,21,25)/t11-,12-,15+/m1/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(/C=C/[125I])O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C21H27IO2/c1-2-20-9-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-10-21(20,24)11-12-22/h4,6,11-13,17-19,23-24H,2-3,5,7-10H2,1H3/b12-11+/t17-,18-,19+,20+,21-/m1/s1/i22-2
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C(C)C5=CC=C(C=C5)CC(C)C)C)C
InChI: InChI=1S/C40H62O2/c1-26(2)10-9-11-28(5)35-18-19-36-34-17-16-32-25-33(20-22-39(32,7)37(34)21-23-40(35,36)8)42-38(41)29(6)31-14-12-30(13-15-31)24-27(3)4/h12-16,26-29,33-37H,9-11,17-25H2,1-8H3/t28-,29?,33+,34+,35-,36+,37+,39+,40-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)COC(=O)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C(C)(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H50O19/c1-15(35)43-13-21-23(45-16(2)36)26(48-19(5)39)28(52-32(42)34(10,11)12)30(50-21)53-29-27(49-20(6)40)25(47-18(4)38)24(46-17(3)37)22(51-29)14-44-31(41)33(7,8)9/h21-30H,13-14H2,1-12H3/t21-,22+,23-,24+,25-,26+,27+,28-,29+,30-/m1/s1
SMILES: CC1=C(C[C@]2([C@@H](C1)OC(=N2)C3=CC=CC=C3)C(=O)OC)C
InChI: InChI=1S/C17H19NO3/c1-11-9-14-17(10-12(11)2,16(19)20-3)18-15(21-14)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3/t14-,17+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NC=NC3=C2C(=C(S3)C)C
InChI: InChI=1S/C18H25N3OS2/c1-10-7-5-6-8-14(10)21-16(22)13(4)24-18-15-11(2)12(3)23-17(15)19-9-20-18/h9-10,13-14H,5-8H2,1-4H3,(H,21,22)/t10-,13+,14-/m0/s1
SMILES: CC(=C1[C@@H]2C[C@H]([C@]1(C(=O)OC)S(=O)C3=CC=CC=C3)C=C2)C
InChI: InChI=1S/C18H20O3S/c1-12(2)16-13-9-10-14(11-13)18(16,17(19)21-3)22(20)15-7-5-4-6-8-15/h4-10,13-14H,11H2,1-3H3/t13-,14+,18-,22?/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C(=O)[C@H]2OC(=O)CNC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C20H25NO5/c1-19(2)14-9-10-20(19,3)17(16(14)23)26-15(22)11-21-18(24)25-12-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3,(H,21,24)/t14-,17-,20+/m1/s1
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C(=O)O)O4
InChI: InChI=1S/C20H18N2O6S/c23-19(17-15-10-11-16(28-15)18(17)20(24)25)21-12-6-8-14(9-7-12)29(26,27)22-13-4-2-1-3-5-13/h1-11,15-18,22H,(H,21,23)(H,24,25)/t15-,16+,17+,18-/m1/s1
SMILES: C[C@]12CC[C@@]3(C(C1CC(CC2)(C)C(=O)O)CC(=O)[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)C)C
InChI: InChI=1S/C38H52O7/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h8-11,24-25,27-29H,12-21H2,1-7H3,(H,40,41)(H,43,44)/t24?,25?,27?,28-,29+,34-,35?,36-,37+,38+/m0/s1
SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)[C@H]4[C@@H](CCCC4=CC3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H32O5Si/c1-15(27)30-19-11-8-10-17-22(19)24(28)18-14-13-16-9-7-12-20(21(16)23(18)25(17)29)31-32(5,6)26(2,3)4/h8,10-11,13,20-21H,7,9,12,14H2,1-6H3/t20-,21-/m1/s1
SMILES: CC(=O)OC1=C2C=CC=C3C2=C(C=C1)OC4(O3)[C@H]5[C@H](O5)C(=O)C6=C(C=CC(=C46)OC(=O)COC)OC(=O)COC
InChI: InChI=1S/C28H22O12/c1-13(29)35-15-7-9-18-22-14(15)5-4-6-17(22)39-28(40-18)24-19(37-21(31)12-34-3)10-8-16(36-20(30)11-33-2)23(24)25(32)26-27(28)38-26/h4-10,26-27H,11-12H2,1-3H3/t26-,27-,28?/m1/s1
SMILES: CC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H](C[C@H]4[C@@H]([C@H]5[C@@H]3[C@@]4(C(=O)N5C)COCC6=CC=CC=C6)CC(C7=CC=CC=C7)(C8=CC=CC=C8)OC)OC(=O)C
InChI: InChI=1S/C44H44N2O7/c1-28(47)46-36-23-15-14-22-34(36)44(41(46)50)37(53-29(2)48)24-35-33(25-43(51-4,31-18-10-6-11-19-31)32-20-12-7-13-21-32)38-39(44)42(35,40(49)45(38)3)27-52-26-30-16-8-5-9-17-30/h5-23,33,35,37-39H,24-27H2,1-4H3/t33-,35-,37-,38-,39+,42+,44+/m0/s1
SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1N=[N+]=[N-])OP(=O)(O)O)OP(=O)(O)O)N=[N+]=[N-])OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C6H14N6O16P4/c7-11-9-1-3(25-29(13,14)15)5(27-31(19,20)21)2(10-12-8)6(28-32(22,23)24)4(1)26-30(16,17)18/h1-6H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1?,2?,3-,4-,5-,6+/m1/s1
SMILES: CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4C3CCC(=O)C4)C)OC(=O)C
InChI: InChI=1S/C23H32O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h16,18-21H,1,5-12H2,2-4H3/t16?,18?,19-,20-,21+,22+,23+/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)OCC=C)C4=CSC(=N4)C5=CC=CC=C5
InChI: InChI=1S/C26H24N6O5S2/c1-3-11-37-25(35)21-15(16-12-38-23(28-16)14-7-5-4-6-8-14)9-10-18-20(24(34)32(18)21)30-22(33)19(31-36-2)17-13-39-26(27)29-17/h3-8,12-13,18,20H,1,9-11H2,2H3,(H2,27,29)(H,30,33)/b31-19-/t18-,20+/m1/s1
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)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]7CC[C@H]([C@@H](O7)C)O)O)N(C)C)O
InChI: InChI=1S/C42H55NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22-23,26-30,35,39-40,44-47,49,52H,8,11-12,14-16H2,1-7H3/t17-,18-,19-,22-,23+,26-,27-,28-,29-,30-,35-,39+,40+,42+/m0/s1
SMILES: CCC1=CC2=C(C(=CN=C2C=C1COC3=CC=C(C=C3)Cl)C(=O)N=C(C4=CC=CC=C4)C(=O)N[C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O)OC(=O)OCC
InChI: InChI=1S/C38H35ClN4O9S/c1-5-20-16-25-27(17-22(20)19-51-24-14-12-23(39)13-15-24)40-18-26(30(25)52-37(49)50-6-2)32(44)41-28(21-10-8-7-9-11-21)33(45)42-29-34(46)43-31(36(47)48)38(3,4)53-35(29)43/h7-18,29,31,35H,5-6,19H2,1-4H3,(H,42,45)(H,47,48)/t29-,31+,35-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O
InChI: InChI=1S/C33H40N2O6/c1-33(2,3)41-32(40)34-27(18-21-9-5-4-6-10-21)28(37)20-24(17-22-13-15-25(36)16-14-22)31(39)35-30-26-12-8-7-11-23(26)19-29(30)38/h4-16,24,27-30,36-38H,17-20H2,1-3H3,(H,34,40)(H,35,39)/t24-,27+,28+,29-,30+/m1/s1
SMILES: CCCCC1=CN=NN1[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C43H56N4O6/c1-4-7-18-33-29-44-46-47(33)40-28-38(45-52-30-31-15-9-8-10-16-31)36-26-32(17-11-13-22-48)35(19-12-14-23-49)41-37-27-34(50-24-5-2)20-21-39(37)53-43(40,42(36)41)51-25-6-3/h5-6,8-10,15-16,20-21,26-27,29,32,35,40-42,48-49H,2-4,7,11-14,17-19,22-25,28,30H2,1H3/t32-,35+,40-,41+,42+,43+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2NC(=O)C3=CC=C(C=C3)[C@H]4N(C(=O)CS4)CCC5=CC=CC=C5
InChI: InChI=1S/C25H28N2O2S/c28-23-16-30-25(27(23)13-12-17-4-2-1-3-5-17)20-10-8-19(9-11-20)24(29)26-22-15-18-6-7-21(22)14-18/h1-5,8-11,18,21-22,25H,6-7,12-16H2,(H,26,29)/t18-,21+,22+,25-/m0/s1
SMILES: CSC[C@H]1CN(C[C@@H]1O)CC2=CN(C3=C2N=CN=C3N)COCC4=CC=CC=C4
InChI: InChI=1S/C21H27N5O2S/c1-29-12-17-8-25(10-18(17)27)7-16-9-26(20-19(16)23-13-24-21(20)22)14-28-11-15-5-3-2-4-6-15/h2-6,9,13,17-18,27H,7-8,10-12,14H2,1H3,(H2,22,23,24)/t17-,18+/m1/s1
SMILES: CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=CC(=O)N(C3=N2)[C@H]4C[C@H]5CC[C@@H]4C5
InChI: InChI=1S/C26H33N5O2/c1-3-30(4-2)13-14-33-22-10-8-21(9-11-22)28-26-27-17-20-7-12-24(32)31(25(20)29-26)23-16-18-5-6-19(23)15-18/h7-12,17-19,23H,3-6,13-16H2,1-2H3,(H,27,28,29)/t18-,19+,23-/m0/s1
SMILES: C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O
InChI: InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1
SMILES: CC(C)[C@H]1CC[C@H]([C@@]1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3/t15-,17+,18+/m0/s1
SMILES: CC[C@@H]([C@H]1C[C@H]([C@H]2C[C@@H](O1)[C@H](O2)CCOCC3=CC=CC=C3)Br)Br
InChI: InChI=1S/C19H26Br2O3/c1-2-14(20)17-10-15(21)18-11-19(24-17)16(23-18)8-9-22-12-13-6-4-3-5-7-13/h3-7,14-19H,2,8-12H2,1H3/t14-,15+,16+,17+,18+,19+/m0/s1
SMILES: C1COCCN1[C@H]2[C@H](C[C@@H]([C@@H]2CC/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C29H37NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25-27,29,31H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,26-,27-,29+/m0/s1
SMILES: CC1(CC[C@@H]2[C@@H](C1)NC3=C(C2(C)C)C=C(C=C3)OC4=CC5=C(C=C4)N[C@H]6CC(CC[C@@H]6C5(C)C)(C)C)C
InChI: InChI=1S/C34H48N2O/c1-31(2)15-13-23-29(19-31)35-27-11-9-21(17-25(27)33(23,5)6)37-22-10-12-28-26(18-22)34(7,8)24-14-16-32(3,4)20-30(24)36-28/h9-12,17-18,23-24,29-30,35-36H,13-16,19-20H2,1-8H3/t23-,24+,29-,30+
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CC(F)(F)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO)C(C)C
InChI: InChI=1S/C31H42F3IN2O8/c1-17(2)21-6-5-18(3)9-24(21)44-15-27(40)37(16-31(32,33)34)23-12-20(30(42)36-7-8-38)13-25(28(23)41)45-29-22(35)10-19(14-39)11-26(29)43-4/h10-11,13-14,17-18,21,23-25,28,38,41H,5-9,12,15-16H2,1-4H3,(H,36,42)/t18-,21+,23+,24-,25-,28-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC)OCOC
InChI: InChI=1S/C24H50O8Si2/c1-17-19(18(14-25)31-33(10,11)23(2,3)4)30-22(32-34(12,13)24(5,6)7)21(29-16-27-9)20(17)28-15-26-8/h14,17-22H,15-16H2,1-13H3/t17-,18+,19+,20+,21-,22+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24O6/c1-15(23)26-21-20(25-14-17-10-6-3-7-11-17)19(18(12-22)27-21)24-13-16-8-4-2-5-9-16/h2-11,18-22H,12-14H2,1H3/t18-,19-,20+,21+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)OCC2=C3C(=C(C4=C2CC[C@@](C4)(C(=O)C)O)O)C(=O)C5=CC=CC=C5C3=O)N)O
InChI: InChI=1S/C27H29NO8/c1-12-23(30)19(28)9-20(36-12)35-11-18-14-7-8-27(34,13(2)29)10-17(14)26(33)22-21(18)24(31)15-5-3-4-6-16(15)25(22)32/h3-6,12,19-20,23,30,33-34H,7-11,28H2,1-2H3/t12-,19-,20+,23+,27+/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H78N2O7/c1-5-9-10-11-12-13-14-15-19-28-53(61)58(35-6-2)52-41-50(57-63-8-4)48-39-44(26-20-22-36-59)47(27-21-23-37-60)54-49-40-46(33-34-51(49)65-56(52,55(48)54)62-38-7-3)64-45-31-29-43(30-32-45)42-24-17-16-18-25-42/h7,16-18,24-25,29-34,39-40,44,47,52,54-55,59-60H,3,5-6,8-15,19-23,26-28,35-38,41H2,1-2,4H3/t44-,47+,52-,54+,55+,56+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OCCC2=CC=CC3=CC=CC=C32)CO)O)O
InChI: InChI=1S/C20H25NO6/c1-12(23)21-17-19(25)18(24)16(11-22)27-20(17)26-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16-20,22,24-25H,9-11H2,1H3,(H,21,23)/t16-,17-,18+,19+,20-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CC(=O)OCC(F)(F)F)OC(O2)(C4CC4)C5CC5
InChI: InChI=1S/C38H47F3N2O11/c1-36(2,3)53-32(47)15-13-26(20-44)43-30(45)16-17-42-34(48)23-18-28(33-29(19-23)52-38(54-33,24-9-10-24)25-11-12-25)51-35(49)27-7-5-4-6-22(27)8-14-31(46)50-21-37(39,40)41/h4-8,14,19,24-26,28-29,33,44H,9-13,15-18,20-21H2,1-3H3,(H,42,48)(H,43,45)/t26-,28+,29+,33-/m0/s1
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3[C@H]4CS(=O)(=O)C[C@H]4CC3=O
InChI: InChI=1S/C17H19N3O4S/c1-11-16(17(22)20(18(11)2)13-6-4-3-5-7-13)19-14-10-25(23,24)9-12(14)8-15(19)21/h3-7,12,14H,8-10H2,1-2H3/t12-,14+/m1/s1
SMILES: CC(C)[C@@H]1CCC2(C1[C@H]3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OCC(=O)O
InChI: InChI=1S/C32H52O5/c1-19(2)20-10-15-32(27(36)37-18-25(34)35)17-16-30(6)21(26(20)32)8-9-23-29(5)13-12-24(33)28(3,4)22(29)11-14-31(23,30)7/h19-24,26,33H,8-18H2,1-7H3,(H,34,35)/t20-,21+,22-,23?,24-,26?,29-,30+,31+,32?/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](N1C(=O)OC(C)(C)C)C)C(=C)C)CC(=O)OC
InChI: InChI=1S/C19H31NO6/c1-9-25-17(22)16-13(10-14(21)24-8)15(11(2)3)12(4)20(16)18(23)26-19(5,6)7/h12-13,15-16H,2,9-10H2,1,3-8H3/t12-,13-,15-,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CS4)C#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H28N2O9S2/c1-16(33)37-15-24-26(38-17(2)34)27(39-18(3)35)28(40-19(4)36)30(41-24)43-29-22(14-31)21(25-11-8-12-42-25)13-23(32-29)20-9-6-5-7-10-20/h5-13,24,26-28,30H,15H2,1-4H3/t24-,26-,27+,28-,30+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=S)SCC2=CC=C(C=C2)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C15H19NO8S2/c1-22-14-13(19)12(18)11(17)10(24-14)6-23-15(25)26-7-8-2-4-9(5-3-8)16(20)21/h2-5,10-14,17-19H,6-7H2,1H3/t10-,11-,12+,13-,14+/m1/s1