EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@H](C#CC1=CC=CC=C1)[C@H]2[C@H](C(=O)N2SC)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C23H18N2O5S/c1-14(26)30-18(13-12-15-8-4-3-5-9-15)19-20(23(29)25(19)31-2)24-21(27)16-10-6-7-11-17(16)22(24)28/h3-11,18-20H,1-2H3/t18-,19+,20-/m1/s1
SMILES: C[C@@H]1CC/C=C/CC/C=C\CC[C@H]1CC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C21H27Cl2NO/c1-16-10-8-6-4-2-3-5-7-9-11-17(16)14-21(25)24-18-12-13-19(22)20(23)15-18/h4-7,12-13,15-17H,2-3,8-11,14H2,1H3,(H,24,25)/b6-4+,7-5-/t16-,17+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](C2=CC=CC=C12)N=[N+]=[N-])O
InChI: InChI=1S/C11H11N3O3/c1-6(15)17-11-8-5-3-2-4-7(8)9(10(11)16)13-14-12/h2-5,9-11,16H,1H3/t9-,10+,11+/m0/s1
SMILES: C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)[C@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C20H26N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h6-8,13,16-17H,1-5,9-12H2,(H,21,23)(H,25,26)/t16-,17+/m0/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O
InChI: 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
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=C(C=C(C=C5)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C26H14BrCl2NO5/c27-12-5-8-14(9-6-12)30-24(33)19-20(25(30)34)26(22(31)15-3-1-2-4-16(15)23(26)32)35-21(19)17-10-7-13(28)11-18(17)29/h1-11,19-21H/t19-,20+,21+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C49H53NO15/c1-26-33(63-45(58)38(54)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,41(55)39(62-28(3)52)36(26)46(49,5)6)34(61-27(2)51)23-35-48(40,25-60-35)65-29(4)53/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35?,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC2=CC=C(C=C2)C3=NN=CO3
InChI: InChI=1S/C19H25N3O3/c1-12-5-4-6-17(13(12)2)21-18(23)14(3)25-16-9-7-15(8-10-16)19-22-20-11-24-19/h7-14,17H,4-6H2,1-3H3,(H,21,23)/t12-,13+,14+,17-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=CN2)C(=O)C
InChI: InChI=1S/C16H24N4O2S/c1-9-5-4-6-13(10(9)2)18-16(23)20-19-15(22)14-7-12(8-17-14)11(3)21/h7-10,13,17H,4-6H2,1-3H3,(H,19,22)(H2,18,20,23)/t9-,10+,13-/m0/s1
SMILES: CCC1=C(C=CC2=C1CC[C@@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C22H32O/c1-4-17-14(2)5-7-19-18(17)9-10-21-20(19)8-6-15-13-16(23)11-12-22(15,21)3/h5,7,15-16,20-21,23H,4,6,8-13H2,1-3H3/t15-,16-,20-,21+,22-/m0/s1
SMILES: C1=C(C(=NC(=O)N1[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F)N)F
InChI: InChI=1S/C9H10F3N3O4/c10-3-1-15(8(18)14-6(3)13)7-9(11,12)5(17)4(2-16)19-7/h1,4-5,7,16-17H,2H2,(H2,13,14,18)/t4-,5-,7-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)N=[N+]=[N-]
InChI: InChI=1S/C22H25N3O5/c1-15(26)28-14-18-19(24-25-23)20(27)22(30-13-17-10-6-3-7-11-17)21(18)29-12-16-8-4-2-5-9-16/h2-11,18-22,27H,12-14H2,1H3/t18-,19+,20-,21-,22+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=NO[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C18H11FN2O4/c19-11-6-8-12(9-7-11)21-17(23)13-14(20-25-16(13)18(21)24)15(22)10-4-2-1-3-5-10/h1-9,13,16H/t13-,16-/m1/s1
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C(C5CC[C@H]4[C@@]1([C@H]([C@@]67[C@@H]2[C@@H](C[C@@H](O6)[C@H](O7)C(C)(C)O)CO)O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O
InChI: InChI=1S/C35H56O10/c1-29(2)20-7-8-21-32(6)28(40)35-25(17(14-36)13-19(44-35)26(45-35)30(3,4)41)31(32,5)11-12-34(21)16-33(20,34)10-9-22(29)43-27-24(39)23(38)18(37)15-42-27/h17-28,36-41H,7-16H2,1-6H3/t17-,18-,19+,20?,21-,22-,23-,24+,25+,26-,27-,28+,31+,32+,33+,34-,35-/m0/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C20H25N3O4/c1-3-14-8-10-15(11-9-14)21-17(24)12-22-18(25)19(26)23(20(22)27)16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,21,24)/t13-,16+/m0/s1
SMILES: C[C@@]12CCC(=O)[C@@H]1[C@@H]3C4=C(CO3)[C@H](CC[C@]4(CC2)C)O
InChI: InChI=1S/C17H24O3/c1-16-5-3-11(18)10-9-20-15(13(10)16)14-12(19)4-6-17(14,2)8-7-16/h11,14-15,18H,3-9H2,1-2H3/t11-,14+,15-,16-,17-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@@H]1NC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C24H37NO3/c1-14-12-21-19-7-6-17-13-18(28-16(3)27)8-10-23(17,4)20(19)9-11-24(21,5)22(14)25-15(2)26/h6,14,18-22H,7-13H2,1-5H3,(H,25,26)/t14-,18-,19-,20-,21+,22-,23+,24+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@H](C4=C[C@@H](CC[C@]34C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C31H50O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h17,19-20,23-27,29H,8-16,18H2,1-7H3/t20-,23-,24-,25-,26+,27-,29-,30-,31-/m1/s1
SMILES: CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)C
InChI: InChI=1S/C20H26N2O7/c1-3-27-20(26)16-10(2)29-19(17(16)18(21)25)22-14(23)9-28-15(24)8-13-7-11-4-5-12(13)6-11/h11-13H,3-9H2,1-2H3,(H2,21,25)(H,22,23)/t11-,12+,13+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C4=NN=C(S4)N)C
InChI: InChI=1S/C13H19N3O5S/c1-12(2)18-5-6(19-12)8-10(21-13(3,4)20-8)17-7(5)9-15-16-11(14)22-9/h5-8,10H,1-4H3,(H2,14,16)/t5-,6+,7+,8-,10-/m1/s1
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)N2CC[C@]([C@@H](C2=O)NC(=O)OCC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C29H30N2O6/c1-36-27(33)24(19-21-11-5-2-6-12-21)31-18-17-29(35,23-15-9-4-10-16-23)25(26(31)32)30-28(34)37-20-22-13-7-3-8-14-22/h2-16,24-25,35H,17-20H2,1H3,(H,30,34)/t24-,25+,29+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]2(CCC[C@]3([C@H]2CCC4=C3CCC(=C(C)C)C4)C)C
InChI: InChI=1S/C27H38O3S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-30-31(28,29)23-11-7-20(3)8-12-23/h7-8,11-12,25H,6,9-10,13-18H2,1-5H3/t25-,26-,27+/m0/s1
SMILES: C[C@@H]([C@H](C/C=C/P1(=O)N([C@@H]2CCCC[C@H]2N1C)C)C3=CC=CC=C3)C(=O)OC(C)(C)C
InChI: InChI=1S/C25H39N2O3P/c1-19(24(28)30-25(2,3)4)21(20-13-8-7-9-14-20)15-12-18-31(29)26(5)22-16-10-11-17-23(22)27(31)6/h7-9,12-14,18-19,21-23H,10-11,15-17H2,1-6H3/b18-12+/t19-,21-,22+,23+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl)(O)O
InChI: InChI=1S/C41H36BCl2N3O9/c1-55-27-12-7-23(8-13-27)41-32(38(50)47(40(41)52)45-34-16-9-25(43)20-33(34)44)21-31-29(36(41)22-5-10-28(11-6-22)56-18-17-48)14-15-30-35(31)39(51)46(37(30)49)26-4-2-3-24(19-26)42(53)54/h2-14,16,19-20,30-32,35-36,45,48,53-54H,15,17-18,21H2,1H3/t30-,31+,32-,35-,36-,41+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C(C)C
InChI: InChI=1S/C18H24N2O3S2/c1-11(2)13-5-7-14(8-6-13)20-15-9-25(22,23)10-16(15)24-18(20)19-17(21)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16-/m0/s1
SMILES: CC(C)(C)COC(=O)N(C)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C42H57FN2O8/c1-7-22-52-42-37(45(5)40(48)51-27-41(2,3)4)25-35(44-49-6)32-23-28(14-10-12-20-46)31(16-11-13-21-47)38(39(32)42)33-24-30(18-19-36(33)53-42)50-26-29-15-8-9-17-34(29)43/h7-9,15,17-19,23-24,28,31,37-39,46-47H,1,10-14,16,20-22,25-27H2,2-6H3/t28-,31+,37-,38+,39+,42+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=CC4=C3N=S=N4
InChI: InChI=1S/C19H18N4O5S/c24-15(20-13-6-3-7-14-17(13)22-29-21-14)10-28-16(25)8-9-23-18(26)11-4-1-2-5-12(11)19(23)27/h1-3,6-7,11-12H,4-5,8-10H2,(H,20,24)/t11-,12-/m0/s1
SMILES: CC[N+]1=C(SC2=C1C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C.[Br-]
InChI: InChI=1S/C25H38NO2S.BrH/c1-6-26-15(2)29-23-22(26)14-21-19-8-7-17-13-18(28-16(3)27)9-11-24(17,4)20(19)10-12-25(21,23)5;/h17-21H,6-14H2,1-5H3;1H/q+1;/p-1/t17-,18-,19+,20-,21-,24-,25-;/m0./s1
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H21NO6/c1-2-13-7-8-15-14(10-19(24)29-18(15)9-13)12-28-20(25)11-23-21(26)16-5-3-4-6-17(16)22(23)27/h3-4,7-10,16-17H,2,5-6,11-12H2,1H3/t16-,17+
SMILES: CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/COC(=O)/C=C/C3=CC=CC=C3)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C
InChI: InChI=1S/C39H48O13/c1-21-32(48-23(3)40)18-30-34(50-25(5)42)17-29(20-47-35(46)16-15-28-13-11-10-12-14-28)31(45)19-33(49-24(4)41)22(2)37(51-26(6)43)38(52-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3/b16-15+,29-17+,37-22-/t30-,31-,32-,33-,34-,38+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@](C1)(CC[C@H]3[C@@H](C(=O)O[C@@H]3[C@H]2O)COC)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H40O6Si/c1-20(2,3)29(6,7)28-16-9-10-21(4)13-22(16,25)11-8-14-15(12-26-5)19(24)27-17(14)18(21)23/h14-18,23,25H,8-13H2,1-7H3/t14-,15-,16+,17-,18+,21+,22-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@H]2C3=CC4=C(C=C3[C@@H]1O2)OCO4)C(=O)OC
InChI: InChI=1S/C15H14O7/c1-18-14(16)10-11(15(17)19-2)13-7-4-9-8(20-5-21-9)3-6(7)12(10)22-13/h3-4,10-13H,5H2,1-2H3/t10-,11-,12-,13+/m0/s1
SMILES: C[C@H]1CCCN(C1)C[C@@H]2[C@@H]3[C@@H](C[C@]4(CCC[C@@H]([C@]45[C@H]3O5)C)C)OC2=O
InChI: InChI=1S/C21H33NO3/c1-13-6-5-9-22(11-13)12-15-17-16(24-19(15)23)10-20(3)8-4-7-14(2)21(20)18(17)25-21/h13-18H,4-12H2,1-3H3/t13-,14-,15+,16+,17+,18-,20+,21-/m0/s1
SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O4/c1-16-5-4-6-19(15-16)30-18-11-9-17(10-12-18)25-22(27)13-14-26-23(28)20-7-2-3-8-21(20)24(26)29/h2-6,9-12,15,20-21H,7-8,13-14H2,1H3,(H,25,27)/t20-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC
InChI: InChI=1S/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCCC1=CC=CC=C1F)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H23FN2O5/c1-13(24-19(26)15-7-3-4-8-16(15)20(24)27)21(28)29-12-18(25)23-11-10-14-6-2-5-9-17(14)22/h2-6,9,13,15-16H,7-8,10-12H2,1H3,(H,23,25)/t13-,15-,16+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)C(C)C)CCCO
InChI: InChI=1S/C25H36N2O5/c1-5-31-25-19(7-6-12-28)20(16(2)3)14-23(32-25)24(29)26-11-10-17-15-27-22-9-8-18(30-4)13-21(17)22/h8-9,13-16,19-20,25,27-28H,5-7,10-12H2,1-4H3,(H,26,29)/t19-,20-,25-/m1/s1
SMILES: C[C@](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)([C@@H](CO)O)O
InChI: InChI=1S/C11H22O9/c1-11(18,6(14)3-13)4-19-10-9(17)8(16)7(15)5(2-12)20-10/h5-10,12-18H,2-4H2,1H3/t5-,6-,7+,8+,9-,10-,11+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(O4)C)O[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](O8)(CC7)C)C)C)C
InChI: InChI=1S/C30H46O7/c1-15-7-9-21-17(3)23(32-25-29(21)19(15)11-13-27(5,34-25)36-29)31-24-18(4)22-10-8-16(2)20-12-14-28(6)35-26(33-24)30(20,22)37-28/h15-26H,7-14H2,1-6H3/t15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H]3C=C[C@@H]([C@H]4[C@H]3[C@H]2OC5=CC=C(C[C@]6(C[C@@H](C4=O)C(=O)N6)O)C=C5)C=C
InChI: InChI=1S/C28H33NO4/c1-3-17-7-11-19-21-12-15(2)4-10-20(21)26-24(19)23(17)25(30)22-14-28(32,29-27(22)31)13-16-5-8-18(33-26)9-6-16/h3,5-9,11,15,17,19-24,26,32H,1,4,10,12-14H2,2H3,(H,29,31)/t15-,17+,19+,20-,21+,22+,23+,24+,26+,28-/m1/s1
SMILES: CC[C@@]12C[C@H]3[C@]4(O3)[C@H]([C@@H]1[C@H]5CC(=O)[C@@H]2O5)[C@H]6CC(=O)[C@@H]4O6
InChI: InChI=1S/C16H18O5/c1-2-15-5-10-16(21-10)12(9-4-7(18)14(16)20-9)11(15)8-3-6(17)13(15)19-8/h8-14H,2-5H2,1H3/t8-,9-,10+,11+,12+,13+,14+,15-,16+/m1/s1
SMILES: CCNC(=O)O[C@@H]1C2=C([C@H](C[C@](C2(C)C)([C@H]([C@H]3[C@](C1=O)([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)[C@@H]([C@H](C=C(C)C)NC(=O)OC(C)(C)C)O)C
InChI: InChI=1S/C44H60N2O15/c1-12-45-38(53)58-32-30-23(4)27(57-37(52)31(49)26(18-22(2)3)46-39(54)61-40(6,7)8)20-44(55,41(30,9)10)35(59-36(51)25-16-14-13-15-17-25)33-42(11,34(32)50)28(48)19-29-43(33,21-56-29)60-24(5)47/h13-18,26-29,31-33,35,48-49,55H,12,19-21H2,1-11H3,(H,45,53)(H,46,54)/t26-,27-,28-,29+,31+,32+,33-,35-,42+,43-,44+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3)O)O)OP(=O)(OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)OC5=CC=CC=C5)O)O)OP(=O)(O1)O)O
InChI: InChI=1S/C24H30O16P2/c25-17-19(27)23(35-13-7-3-1-4-8-13)37-15-11-33-41(29,30)40-22-16(12-34-42(31,32)39-21(15)17)38-24(20(28)18(22)26)36-14-9-5-2-6-10-14/h1-10,15-28H,11-12H2,(H,29,30)(H,31,32)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC2=CC(=CC(=C2O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H44O23/c1-14(37)48-12-25-28(50-16(3)39)30(52-18(5)41)32(54-20(7)43)35(58-25)56-23-10-22(34(46)47-9)11-24(27(23)45)57-36-33(55-21(8)44)31(53-19(6)42)29(51-17(4)40)26(59-36)13-49-15(2)38/h10-11,25-26,28-33,35-36,45H,12-13H2,1-9H3/t25-,26-,28-,29-,30+,31+,32-,33-,35?,36?/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)N[C@H]4CCCCC4=O)C
InChI: InChI=1S/C17H26N2O4S/c1-16(2)11-7-8-17(16)10-24(22,23)19(14(17)9-11)15(21)18-12-5-3-4-6-13(12)20/h11-12,14H,3-10H2,1-2H3,(H,18,21)/t11-,12+,14-,17-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)[18F])[18F])O)O)O
InChI: InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6-/m1/s1/i7-1,8-1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)/C=C/Br)CO)O
InChI: InChI=1S/C10H12BrN3O5/c11-2-1-5-9(17)12-10(18)14(13-5)8-3-6(16)7(4-15)19-8/h1-2,6-8,15-16H,3-4H2,(H,12,17,18)/b2-1+/t6-,7+,8+/m0/s1
SMILES: CC(C)CCOC(=O)[C@H]1[C@@H](C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3
InChI: InChI=1S/C21H21BrO4/c1-13(2)10-11-25-20(23)19-18(14-6-4-3-5-7-14)16-12-15(22)8-9-17(16)26-21(19)24/h3-9,12-13,18-19H,10-11H2,1-2H3/t18-,19-/m1/s1
SMILES: C[C@H]1CC(=C[C@H]([C@@H]1[C@@H]2OC[C@@H](O2)C[NH+]3CCCC3)C)C
InChI: InChI=1S/C17H29NO2/c1-12-8-13(2)16(14(3)9-12)17-19-11-15(20-17)10-18-6-4-5-7-18/h8,13-17H,4-7,9-11H2,1-3H3/p+1/t13-,14+,15+,16+,17-/m1/s1
SMILES: C1[C@@H](C[C@H]([C@@H]1N2C(=C(N=N2)C(=O)N)C#CCO)O)CO
InChI: InChI=1S/C12H16N4O4/c13-12(20)11-8(2-1-3-17)16(15-14-11)9-4-7(6-18)5-10(9)19/h7,9-10,17-19H,3-6H2,(H2,13,20)/t7-,9+,10+/m0/s1
SMILES: C[C@@]12CCCC([C@@H]1[C@@H](C[C@H]2C3=CC=CC=C3)O)(C)C
InChI: InChI=1S/C18H26O/c1-17(2)10-7-11-18(3)14(12-15(19)16(17)18)13-8-5-4-6-9-13/h4-6,8-9,14-16,19H,7,10-12H2,1-3H3/t14-,15+,16-,18-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2C[C@H]([C@H]1C2)COS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H34O4SSi/c1-5-27(6-2,7-3)25-21-14-17-12-18(20(21)13-17)15-24-26(22,23)19-10-8-16(4)9-11-19/h8-11,17-18,20-21H,5-7,12-15H2,1-4H3/t17-,18+,20-,21+/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C3C=C[C@H]3S[C@H]4N2C(=O)[C@H]4NC(=O)CC5=CC=CC=C5
InChI: InChI=1S/C25H22N2O5S/c1-31-17-9-7-16(8-10-17)14-32-25(30)22-18-11-12-19(18)33-24-21(23(29)27(22)24)26-20(28)13-15-5-3-2-4-6-15/h2-12,19,21,24H,13-14H2,1H3,(H,26,28)/t19-,21-,24-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H]3C[C@H]2[C@H]4[C@H]3N(N=N4)C5=CC=CC=C5
InChI: InChI=1S/C16H17N3/c1-2-5-10(6-3-1)19-16-14-9-13(15(16)17-18-19)11-7-4-8-12(11)14/h1-7,11-16H,8-9H2/t11-,12-,13+,14-,15-,16-/m0/s1
SMILES: CCCC1=CC2=C(S1)CN[C@H]3[C@H]2C4=CC(=C(C=C4CC3)O)OC(=O)C
InChI: InChI=1S/C20H23NO3S/c1-3-4-13-8-15-19(25-13)10-21-16-6-5-12-7-17(23)18(24-11(2)22)9-14(12)20(15)16/h7-9,16,20-21,23H,3-6,10H2,1-2H3/t16-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC(=CC=C4)OC
InChI: InChI=1S/C19H20N2O5S/c1-25-15-8-6-13(7-9-15)20-17-11-27(23,24)12-18(17)21(19(20)22)14-4-3-5-16(10-14)26-2/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m1/s1
SMILES: CC1=CC2=C(C3=C1[C@@]4([C@]5([C@@H]([C@@]4(S3)C)NC(=O)NC5=O)C)C)OC(=O)C=C2C
InChI: InChI=1S/C20H20N2O4S/c1-8-7-11(23)26-13-10(8)6-9(2)12-14(13)27-20(5)15-18(3,19(12,20)4)16(24)22-17(25)21-15/h6-7,15H,1-5H3,(H2,21,22,24,25)/t15-,18-,19+,20-/m0/s1
SMILES: CC1=CC(=CC(=C1OC)O[Si](C)(C)C(C)(C)C)C[C@@H](C2N3[C@@H]4COC(O[C@@H]4C5=C(C(=C6C(=C5[C@@H]3CO2)OCO6)C)OCC=C)(C)C)NC(=O)OCC=C
InChI: InChI=1S/C40H56N2O10Si/c1-13-15-45-33-24(4)34-36(49-22-48-34)30-27-20-47-37(42(27)28-21-50-40(8,9)51-35(28)31(30)33)26(41-38(43)46-16-14-2)18-25-17-23(3)32(44-10)29(19-25)52-53(11,12)39(5,6)7/h13-14,17,19,26-28,35,37H,1-2,15-16,18,20-22H2,3-12H3,(H,41,43)/t26-,27-,28+,35-,37?/m0/s1
SMILES: C[C@H](CC(=O)OCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)OC(=O)CNC(=O)OC(C)(C)C)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C41H59NO10/c1-24(18-35(45)48-23-27-12-10-9-11-13-27)30-14-15-31-37-32(21-34(41(30,31)8)50-26(3)44)40(7)17-16-29(19-28(40)20-33(37)49-25(2)43)51-36(46)22-42-38(47)52-39(4,5)6/h9-13,24,28-34,37H,14-23H2,1-8H3,(H,42,47)/t24-,28+,29-,30-,31+,32+,33-,34+,37+,40+,41-/m1/s1
SMILES: C1=CC(=CC=C1/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3-/t10-,12-,13+,14-,15-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)[O-])C
InChI: InChI=1S/C23H32O5/c1-22-11-9-15(28-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24)23(17,2)12-10-18(16)22/h3,15-18H,4-13H2,1-2H3,(H,25,26)/p-1/t15-,16+,17-,18-,22-,23+/m0/s1
SMILES: CC/C=C\C[C@H]1[C@@H](CCC1=O)CC(=O)NC(CC2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C22H29NO4/c1-3-4-6-11-18-17(12-13-20(18)24)15-21(25)23-19(22(26)27-2)14-16-9-7-5-8-10-16/h4-10,17-19H,3,11-15H2,1-2H3,(H,23,25)/b6-4-/t17-,18-,19?/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C4=C(C=N3)C(=NC=N4)OC)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C27H26N4O6/c1-16-4-8-18(9-5-16)26(32)35-14-22-21(37-27(33)19-10-6-17(2)7-11-19)12-23(36-22)31-24-20(13-30-31)25(34-3)29-15-28-24/h4-11,13,15,21-23H,12,14H2,1-3H3/t21-,22+,23+/m0/s1
SMILES: C[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H23NO7/c1-12(23-20(25)16-5-3-4-6-17(16)21(23)26)22(27)29-11-13-9-19(24)30-18-10-14(28-2)7-8-15(13)18/h7-10,12,16-17H,3-6,11H2,1-2H3/t12-,16-,17-/m0/s1
SMILES: CC(C1=C2[C@H](CCN3[C@@H]2[C@@H]([C@@H]1O)OC3=O)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OCOC
InChI: InChI=1S/C29H37NO6Si/c1-19(34-18-33-5)23-24-22(16-17-30-25(24)27(26(23)31)35-28(30)32)36-37(29(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22,25-27,31H,16-18H2,1-5H3/t19?,22-,25-,26+,27-/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)C4([C@H]5[C@@H]4CNC5)C#N)F)F.Cl
InChI: InChI=1S/C24H22F2N4O3.ClH/c1-13(31)29-8-16-11-30(23(32)33-16)15-3-4-17(21(25)7-15)14-2-5-18(22(26)6-14)24(12-27)19-9-28-10-20(19)24;/h2-7,16,19-20,28H,8-11H2,1H3,(H,29,31);1H/t16-,19-,20+,24?;/m0./s1
SMILES: CCOC(=O)[C@@H]1[C@]2([C@@H](C[C@@H](C1(C)C)O2)O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H34O5Si/c1-9-21-15(20)14-17(5,6)13-10-12(19)18(14,23-13)11-22-24(7,8)16(2,3)4/h12-14,19H,9-11H2,1-8H3/t12-,13+,14+,18-/m1/s1
SMILES: CC[C@@H]1[C@@](C([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)C)OC(=O)NCCCCCCNC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)(C)O
InChI: InChI=1S/C42H63F3N4O9/c1-8-33-41(7,56)36(28(5)48-24-25(2)23-40(6,55)35(51)26(3)34(50)27(4)38(53)57-33)58-39(54)47-21-14-10-9-13-20-46-37(52)31-18-11-12-19-32(31)49-30-17-15-16-29(22-30)42(43,44)45/h11-12,15-19,22,25-28,33-36,48-51,55-56H,8-10,13-14,20-21,23-24H2,1-7H3,(H,46,52)(H,47,54)/t25-,26+,27-,28-,33-,34+,35-,36?,40-,41-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)CC(=O)OCC=C)O
InChI: InChI=1S/C13H19NO5/c1-4-5-19-10(17)6-9(16)7(2)12-11(8(3)15)13(18)14-12/h4,7-8,11-12,15H,1,5-6H2,2-3H3,(H,14,18)/t7-,8+,11+,12+/m0/s1
SMILES: C1CN(C[C@H]([C@H]1NCC2=CC=CC=C2)F)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5
InChI: InChI=1S/C25H29FN6/c26-23-16-31(12-10-25(23)27-14-19-5-2-1-3-6-19)11-4-7-20-15-28-24-9-8-21(13-22(20)24)32-17-29-30-18-32/h1-3,5-6,8-9,13,15,17-18,23,25,27-28H,4,7,10-12,14,16H2/t23-,25+/m1/s1
SMILES: CC1=CC(=CC=C1)C(=CC(=O)[C@@H]([C@@H](CC2=CC=CC=C2)C(=O)N3[C@@H](COC3=O)C(C)C)OC(=O)C)C(=O)CCCO[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C53H61NO13/c1-34(2)43-33-65-53(60)54(43)51(59)42(28-37-18-9-6-10-19-37)47(66-36(4)56)45(58)29-41(40-24-15-17-35(3)27-40)44(57)25-16-26-62-50-49(64-32-39-22-13-8-14-23-39)48(46(30-55)67-52(50)61-5)63-31-38-20-11-7-12-21-38/h6-15,17-24,27,29,34,42-43,46-50,52,55H,16,25-26,28,30-33H2,1-5H3/t42-,43+,46-,47-,48-,49+,50+,52+/m1/s1
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)[C@H]4C[C@H]5C[C@@H]4C=C5
InChI: InChI=1S/C20H23N3O3S2/c24-19(16-11-13-4-5-14(16)10-13)22-20-21-17-7-6-15(12-18(17)27-20)28(25,26)23-8-2-1-3-9-23/h4-7,12-14,16H,1-3,8-11H2,(H,21,22,24)/t13-,14+,16+/m1/s1
SMILES: CCOC(=O)[C@@H]([C@@H](C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)O)N=C3C[C@H]4C[C@@H]([C@@]3(C)O)C4(C)C
InChI: InChI=1S/C28H34ClNO5/c1-5-34-26(32)24(30-23-15-19-14-22(27(19,2)3)28(23,4)33)25(31)18-11-12-21(20(29)13-18)35-16-17-9-7-6-8-10-17/h6-13,19,22,24-25,31,33H,5,14-16H2,1-4H3/t19-,22-,24-,25-,28-/m1/s1
SMILES: COC1=CC=CC(=C1OC)[C@@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)[O-]
InChI: InChI=1S/C21H21NO4/c1-25-18-8-4-7-15(20(18)26-2)19-14-6-3-5-13(14)16-11-12(21(23)24)9-10-17(16)22-19/h3-5,7-11,13-14,19,22H,6H2,1-2H3,(H,23,24)/p-1/t13-,14-,19-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)C1=NN=C(O1)SC)NC(=O)[C@@H]2CCC[C@@H]2NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H28N4O4S/c1-13(2)12-17(18(27)21-25-26-22(30-21)31-3)24-20(29)15-10-7-11-16(15)23-19(28)14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,7,10-12H2,1-3H3,(H,23,28)(H,24,29)/t15-,16+,17+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CC[C@]2(C[C@@H]1[C@@H](C(=O)N2C(=O)OC(C)(C)C)O)CC=C
InChI: InChI=1S/C25H45NO5Si/c1-11-13-25-14-12-20(31-32(16(2)3,17(4)5)18(6)7)19(15-25)21(27)22(28)26(25)23(29)30-24(8,9)10/h11,16-21,27H,1,12-15H2,2-10H3/t19-,20+,21-,25-/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(C[C@@](C4)(C(C)(C)O)OCCO)C)C
InChI: InChI=1S/C31H56O3/c1-21(2)9-8-10-22(3)25-13-14-26-24-12-11-23-19-31(28(4,5)33,34-18-17-32)20-30(23,7)27(24)15-16-29(25,26)6/h21-27,32-33H,8-20H2,1-7H3/t22-,23+,24+,25-,26+,27+,29-,30+,31+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N=C3N2C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C15H15N3O2S/c19-18(20)11-5-3-4-10(8-11)14-9-21-15-16-12-6-1-2-7-13(12)17(14)15/h3-5,8-9,12-13H,1-2,6-7H2/t12-,13-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)OC(=O)NC(C)C)OC(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C35H44N2O8S/c1-5-46-33-32(45-34(38)36-20-25-12-8-6-9-13-25)31(44-35(39)37-24(2)3)30(42-22-26-14-10-7-11-15-26)29(43-33)23-41-21-27-16-18-28(40-4)19-17-27/h6-19,24,29-33H,5,20-23H2,1-4H3,(H,36,38)(H,37,39)/t29-,30-,31+,32-,33+/m1/s1
SMILES: C[C@H](CCC(=O)NCCCN(C)C)[C@H]1CCC2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C29H52N2O4/c1-18(7-10-26(35)30-13-6-14-31(4)5)21-8-9-22-27-23(17-25(34)29(21,22)3)28(2)12-11-20(32)15-19(28)16-24(27)33/h18-25,27,32-34H,6-17H2,1-5H3,(H,30,35)/t18-,19?,20-,21-,22?,23+,24-,25+,27+,28+,29-/m1/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=C(N=CC=C1)Cl)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H20ClN3O5/c1-10(23-17(25)12-6-3-4-7-13(12)18(23)26)19(27)28-11(2)16(24)22-14-8-5-9-21-15(14)20/h3-5,8-13H,6-7H2,1-2H3,(H,22,24)/t10-,11+,12-,13-/m0/s1
SMILES: CC(C)OCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)OC
InChI: InChI=1S/C18H24N2O5/c1-11(2)24-9-10-25-17(21)15-12(3)19-18(22)20-16(15)13-5-7-14(23-4)8-6-13/h5-8,11,15-16H,3,9-10H2,1-2,4H3,(H2,19,20,22)/t15-,16+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)O[C@H]3C[C@@]45[C@H]([C@@H]6[C@H]7[C@H](O7)CC[C@]6([C@@H]8[C@@H](C(=C3C)C4(C)C)OC(O8)(C)C)C)O[C@@H](O5)C9=CC=CC=C9
InChI: InChI=1S/C51H65NO9Si/c1-10-62(11-2,12-3)61-42(39(32-22-16-13-17-23-32)52-45(53)33-24-18-14-19-25-33)46(54)56-36-30-51-43(57-47(60-51)34-26-20-15-21-27-34)38-40-35(55-40)28-29-50(38,9)44-41(58-49(7,8)59-44)37(31(36)4)48(51,5)6/h13-27,35-36,38-44,47H,10-12,28-30H2,1-9H3,(H,52,53)/t35-,36+,38+,39+,40-,41-,42-,43+,44+,47+,50-,51-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)CC[C@H]2[C@@H](OC(O2)(C)C)CCC(CO)O)CCC=C)C
InChI: InChI=1S/C20H36O6/c1-6-7-8-15-17(25-19(2,3)23-15)11-12-18-16(10-9-14(22)13-21)24-20(4,5)26-18/h6,14-18,21-22H,1,7-13H2,2-5H3/t14?,15-,16-,17-,18-/m0/s1
SMILES: CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)[C@@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C24H35NO5S/c1-5-24(3,4)14-11-12-17-18(13-14)31-21(19(17)23(29)30-6-2)25-20(26)15-9-7-8-10-16(15)22(27)28/h14-16H,5-13H2,1-4H3,(H,25,26)(H,27,28)/t14-,15+,16+/m0/s1
SMILES: CCN[C@H]1[C@@H](C(OC2=CC(=C(C=C12)NC(=O)CC3=CC=C(C=C3)OC)[N+](=O)[O-])(C)C)O
InChI: InChI=1S/C22H27N3O6/c1-5-23-20-15-11-16(24-19(26)10-13-6-8-14(30-4)9-7-13)17(25(28)29)12-18(15)31-22(2,3)21(20)27/h6-9,11-12,20-21,23,27H,5,10H2,1-4H3,(H,24,26)/t20-,21+/m1/s1