EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C=CO3)O
InChI: InChI=1S/C21H26O3Si/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-20-19(22)14-15-23-20/h4-15,19-20,22H,16H2,1-3H3/t19-,20+/m0/s1
SMILES: CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)[C@H]([C@@H]([C@@H]([C@H]4NC5=C6C(=NC=N5)N(C=N6)[C@H]7C[C@@H]([C@H](O7)CO)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H35N5O9/c1-16-11-20-7-5-6-8-21(20)22-9-10-23-28(27(16)22)29(32(47-18(3)43)33(48-19(4)44)31(23)46-17(2)42)39-34-30-35(37-14-36-34)40(15-38-30)26-12-24(45)25(13-41)49-26/h5-11,14-15,24-26,29,31-33,41,45H,12-13H2,1-4H3,(H,36,37,39)/t24-,25+,26+,29-,31+,32+,33-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)F)CO[C@]4(C[C@@H]([C@H]([C@@H](O4)[C@H]([C@@H](CO)O)O)O)O)C(=O)O)C
InChI: InChI=1S/C21H29FN2O14/c1-20(2)36-13-10(35-17(15(13)37-20)24-4-7(22)16(30)23-19(24)33)6-34-21(18(31)32)3-8(26)11(28)14(38-21)12(29)9(27)5-25/h4,8-15,17,25-29H,3,5-6H2,1-2H3,(H,31,32)(H,23,30,33)/t8-,9+,10+,11+,12-,13+,14+,15+,17+,21-/m0/s1
SMILES: C1[C@@H]2[C@H](O[C@H]3[C@H]2[C@H]4[C@@H]1[C@@H](O[C@H]4O3)C#N)C#N
InChI: InChI=1S/C11H10N2O3/c12-2-6-4-1-5-7(3-13)15-11-9(5)8(4)10(14-6)16-11/h4-11H,1H2/t4-,5+,6-,7+,8-,9-,10-,11+/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@@H]3CCCCC3=NN2C4=NC(=C(S4)C(=O)OCC)C
InChI: InChI=1S/C22H27N3O3S/c1-4-27-16-12-10-15(11-13-16)19-17-8-6-7-9-18(17)24-25(19)22-23-14(3)20(29-22)21(26)28-5-2/h10-13,17,19H,4-9H2,1-3H3/t17-,19+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C[C@@H]([C@@H]2COCC3=CC=CC=C3)NCC4=CC=CC=C4
InChI: InChI=1S/C24H29NO/c1-3-9-19(10-4-1)16-25-24-15-21-13-7-8-14-22(21)23(24)18-26-17-20-11-5-2-6-12-20/h1-12,21-25H,13-18H2/t21-,22+,23-,24+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CC[C@@H](/C2=C\CO)[C@]3(CC[C@@H](C[C@@H]3O)O)C)C
InChI: InChI=1S/C27H48O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h13,18-20,22-25,28-30H,6-12,14-17H2,1-5H3/b21-13-/t19-,20+,22-,23+,24+,25+,26-,27-/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)[C@H]1N(C)S(=O)(=O)C2=CC=C(C=C2)C)C
InChI: InChI=1S/C14H19NO3S/c1-9-5-7-12(8-6-9)19(17,18)15(4)13-10(2)11(3)14(13)16/h5-8,10-11,13H,1-4H3/t10-,11-,13+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=CC=C2)O)O
InChI: InChI=1S/C14H22N2O3/c1-9-13(18)14(19)11(16-9)7-15-12(8-17)10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/t9-,11-,12+,13+,14-/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C25H23N3O7/c1-12-2-4-15-14(8-12)25(24(33)26-15)21-20(16(27-25)5-7-19(29)30)22(31)28(23(21)32)10-13-3-6-17-18(9-13)35-11-34-17/h2-4,6,8-9,16,20-21,27H,5,7,10-11H2,1H3,(H,26,33)(H,29,30)/t16-,20+,21-,25-/m0/s1
SMILES: C1[C@@H]2[C@H](SC3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H16FNS/c23-16-11-9-14(10-12-16)22-18-13-15-5-1-2-6-17(15)21(18)24-19-7-3-4-8-20(19)25-22/h1-12,18,22H,13H2/t18-,22+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@@H]2C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C26H34N2O3/c1-18-7-8-19(2)23(16-18)27-24(29)17-28-15-14-26(30)13-5-4-6-22(26)25(28)20-9-11-21(31-3)12-10-20/h7-12,16,22,25,30H,4-6,13-15,17H2,1-3H3,(H,27,29)/p+1/t22-,25+,26-/m1/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@@](C(=O)C(=O)O2)(CC=C)OC)C
InChI: InChI=1S/C13H18O6/c1-5-6-13(16-4)9(14)11(15)18-10(13)8-7-17-12(2,3)19-8/h5,8,10H,1,6-7H2,2-4H3/t8-,10+,13-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI: InChI=1S/C18H25NO5/c1-5-22-16(20)15-14(23-15)13(11-12-9-7-6-8-10-12)19-17(21)24-18(2,3)4/h6-10,13-15H,5,11H2,1-4H3,(H,19,21)/t13-,14+,15-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O
InChI: InChI=1S/C18H24N2O6S/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)27(24,25)20-9-11-26-12-10-20/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,22,23)/t15-,16-/m0/s1
SMILES: CC(C)CN1C[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)OC
InChI: InChI=1S/C14H19NO4/c1-8(2)6-15-7-14-5-4-9(19-14)10(13(17)18-3)11(14)12(15)16/h4-5,8-11H,6-7H2,1-3H3/t9-,10-,11+,14-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@@H]4CC[C@H]([C@]3(C5=CC=CC=C52)C=O)C=C4
InChI: InChI=1S/C22H21NO3S/c1-15-6-12-18(13-7-15)27(25,26)23-20-5-3-2-4-19(20)22(14-24)17-10-8-16(9-11-17)21(22)23/h2-8,10,12-14,16-17,21H,9,11H2,1H3/t16-,17+,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H30O6/c28-24-26(32-18-22-14-8-3-9-15-22)25(31-17-21-12-6-2-7-13-21)23(33-27(24)29)19-30-16-20-10-4-1-5-11-20/h1-15,23-29H,16-19H2/t23-,24+,25-,26-,27?/m1/s1
SMILES: CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O)O
InChI: InChI=1S/C24H33FO7/c1-4-20(30)32-12-19(29)24(31)17(27)10-16-15-6-5-13-9-14(26)7-8-21(13,2)23(15,25)18(28)11-22(16,24)3/h9,15-18,27-28,31H,4-8,10-12H2,1-3H3/t15-,16-,17+,18-,21-,22-,23?,24-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1SC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H21NO7S/c1-6(16)15-10-11(20-7(2)17)12(21-8(3)18)13(14(10)23-5)22-9(4)19/h10-14H,1-5H3,(H,15,16)/t10-,11+,12+,13+,14+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)O)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C13H16Cl2O3S/c14-10-6-5-9(11(15)7-10)8-19(17,18)13-4-2-1-3-12(13)16/h5-7,12-13,16H,1-4,8H2/t12-,13-/m1/s1
SMILES: C1CCC(CC1)NC(=O)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H27N3O6/c23-15(21-19(27)20-12-6-2-1-3-7-12)11-28-16(24)10-22-17(25)13-8-4-5-9-14(13)18(22)26/h12-14H,1-11H2,(H2,20,21,23,27)/t13-,14-/m1/s1
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@H]7C[N+](CCCC8=C6NC9=CC=CC=C89)(C[C@@H]1[C@H]7CCCC1)CC1=CC=CC=C1)C(=O)OC)OC)C
InChI: InChI=1S/C56H69N4O8/c1-7-53-24-16-26-59-27-25-54(48(53)59)42-29-43(46(65-4)30-45(42)58(3)49(54)56(64,52(63)67-6)50(53)68-35(2)61)55(51(62)66-5)31-38-34-60(32-36-17-9-8-10-18-36,33-37-19-11-12-20-39(37)38)28-15-22-41-40-21-13-14-23-44(40)57-47(41)55/h8-10,13-14,16-18,21,23-24,29-30,37-39,48-50,57,64H,7,11-12,15,19-20,22,25-28,31-34H2,1-6H3/q+1/t37-,38+,39-,48+,49-,50-,53-,54-,55+,56+,60?/m1/s1
SMILES: CCOC([C@H]1COC[C@@H]1C(C2=CC(=C(C=C2)O)OC)O)C3=CC(=C(C=C3)O)OC
InChI: InChI=1S/C22H28O7/c1-4-29-22(14-6-8-18(24)20(10-14)27-3)16-12-28-11-15(16)21(25)13-5-7-17(23)19(9-13)26-2/h5-10,15-16,21-25H,4,11-12H2,1-3H3/t15-,16-,21?,22?/m0/s1
SMILES: C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4CC=C(C[C@@H]4C3=O)Cl)C#N
InChI: InChI=1S/C17H15ClN2O2S/c18-9-5-6-11-12(7-9)16(22)20(15(11)21)17-13(8-19)10-3-1-2-4-14(10)23-17/h5,11-12H,1-4,6-7H2/t11-,12+/m1/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)[NH3+])O
InChI: InChI=1S/C30H31N3O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18,31H2,1-2H3,(H,32,34,36)/p+1/t24-,26-,27-,28-/m1/s1
SMILES: CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)C(=O)[C@H](CC4=CC=CC=C4)N)C
InChI: InChI=1S/C19H26N2O3S/c1-18(2)14-8-9-19(18)12-25(23,24)21(16(19)11-14)17(22)15(20)10-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3/t14-,15-,16-,19-/m0/s1
SMILES: C[C@@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O
InChI: InChI=1S/C18H31NO13S/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30)/t5-,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)NC4=NN=C(S4)C(F)(F)F
InChI: InChI=1S/C14H11F3N4O3S/c15-14(16,17)12-19-20-13(25-12)18-7(22)4-21-10(23)8-5-1-2-6(3-5)9(8)11(21)24/h1-2,5-6,8-9H,3-4H2,(H,18,20,22)/t5-,6+,8+,9-
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)Cl
InChI: InChI=1S/C16H16ClNO3/c1-7-2-3-9(6-11(7)17)18-15(19)13-8-4-10-12(5-8)21-16(20)14(10)13/h2-3,6,8,10,12-14H,4-5H2,1H3,(H,18,19)/t8-,10+,12-,13-,14+/m1/s1
SMILES: C[C@@H]1[C@H]2C=C[C@H](N2C(=O)OC(C)(C)C)[C@@H](C1=O)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO3/c1-12-14-10-11-15(20(14)18(22)23-19(2,3)4)16(17(12)21)13-8-6-5-7-9-13/h5-12,14-16H,1-4H3/t12-,14-,15+,16+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C=C[C@H]3CO
InChI: InChI=1S/C22H28O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-19-15-14-18(19)16-23/h4-15,18-19,23H,16-17H2,1-3H3/t18-,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(C)CC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H25ClN4O4/c1-13-5-3-4-10-20(13)18(28)25(19(29)23-20)12-17(27)24(2)11-16(26)22-15-8-6-14(21)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,22,26)(H,23,29)/t13-,20+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@@H]5[C@H](OC(O5)(C)C)[C@H](C)C(C)C
InChI: InChI=1S/C31H52O5/c1-16(2)17(3)27-28(36-29(5,6)35-27)18(4)20-9-10-21-19-13-24(32)23-14-25(33)26(34)15-31(23,8)22(19)11-12-30(20,21)7/h16-23,25-28,33-34H,9-15H2,1-8H3/t17-,18+,19+,20-,21+,22+,23-,25+,26-,27-,28-,30-,31-/m1/s1
SMILES: C/C=N/NC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C12H17N7O4/c1-2-15-18-12-16-9(13)6-10(17-12)19(4-14-6)11-8(22)7(21)5(3-20)23-11/h2,4-5,7-8,11,20-22H,3H2,1H3,(H3,13,16,17,18)/b15-2+/t5-,7-,8-,11-/m1/s1
SMILES: CC1=CC2=C(C=C1)OC[C@@H]3N2N=C([C@]3(CCCO)C4=CC=CC=C4)C(=O)N(C)C
InChI: InChI=1S/C23H27N3O3/c1-16-10-11-19-18(14-16)26-20(15-29-19)23(12-7-13-27,17-8-5-4-6-9-17)21(24-26)22(28)25(2)3/h4-6,8-11,14,20,27H,7,12-13,15H2,1-3H3/t20-,23+/m0/s1
SMILES: CC[C@H]([C@](C)(/C=C(\C)/C(=O)[C@H](C)C[C@@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)OC)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)O)O)O
InChI: InChI=1S/C38H69NO13/c1-15-27(40)36(8,45)17-20(2)29(41)21(3)18-37(9,46)33(52-35-30(42)26(39(11)12)16-22(4)49-35)23(5)31(24(6)34(44)47-13)51-28-19-38(10,48-14)32(43)25(7)50-28/h17,21-28,30-33,35,40,42-43,45-46H,15-16,18-19H2,1-14H3/b20-17+/t21-,22-,23+,24-,25+,26+,27-,28+,30-,31+,32+,33-,35+,36+,37+,38-/m1/s1
SMILES: C[C@H]1C[C@]2([C@@H](OC3=C([C@@H]2[C@H]([C@H]1O)C)C(=O)N(C=C3)OC)C)C
InChI: InChI=1S/C17H25NO4/c1-9-8-17(4)11(3)22-12-6-7-18(21-5)16(20)13(12)14(17)10(2)15(9)19/h6-7,9-11,14-15,19H,8H2,1-5H3/t9-,10+,11-,14-,15-,17-/m0/s1
SMILES: CC[C@@H](C)[C@H](C(=O)O)N1C[C@@H]([C@H](C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CC(=NN4CC)CC5=CC=C(C=C5)OC(C)(C)C
InChI: InChI=1S/C38H53FN4O3/c1-7-26(3)36(37(44)45)42-24-30(34(25-42)29-10-9-11-31(39)21-29)23-41-18-16-28(17-19-41)35-22-32(40-43(35)8-2)20-27-12-14-33(15-13-27)46-38(4,5)6/h9-15,21-22,26,28,30,34,36H,7-8,16-20,23-25H2,1-6H3,(H,44,45)/t26-,30+,34-,36-/m1/s1
SMILES: CC[C@H](CC[C@@H](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)C5=CC=CC=C5)C)C)C(C)C
InChI: InChI=1S/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3/t25-,26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)CCCC4=CC(=C(C=C4)N=[N+]=[N-])I
InChI: InChI=1S/C20H21IN8O3/c1-11-15(8-16(31-11)29-10-26-18-19(22)24-9-25-20(18)29)32-17(30)4-2-3-12-5-6-14(27-28-23)13(21)7-12/h5-7,9-11,15-16H,2-4,8H2,1H3,(H2,22,24,25)/t11-,15+,16-/m1/s1
SMILES: CCCCCCC1=CC2=C(C=C1CCCCCC)[C@@H]3[C@H]4CC5=C(C[C@H]4[C@H]2O3)CC6=C(C5)CC7=C(C6)C[C@H]8[C@@H](C7)[C@@H]9C1=C([C@H]8O9)C=C(C(=C1)CCCCCC)CCCCCC
InChI: InChI=1S/C58H80O2/c1-5-9-13-17-21-37-29-47-48(30-38(37)22-18-14-10-6-2)56-52-34-44-26-42-28-46-36-54-53(35-45(46)27-41(42)25-43(44)33-51(52)55(47)59-56)57-49-31-39(23-19-15-11-7-3)40(24-20-16-12-8-4)32-50(49)58(54)60-57/h29-32,51-58H,5-28,33-36H2,1-4H3/t51-,52+,53+,54-,55+,56-,57-,58+
SMILES: C/C=C(\C)/C=C/C=C(\C)/CC[C@H]1[C@@H](OC(O1)(C)C)CCC(=O)C2(C[C@@H](N(C2=O)C(=O)C3=CC=CC=C3)CC(C)C)[Se]C4=CC=CC=C4
InChI: InChI=1S/C40H51NO5Se/c1-8-29(4)16-15-17-30(5)22-23-34-35(46-39(6,7)45-34)24-25-36(42)40(47-33-20-13-10-14-21-33)27-32(26-28(2)3)41(38(40)44)37(43)31-18-11-9-12-19-31/h8-21,28,32,34-35H,22-27H2,1-7H3/b16-15+,29-8+,30-17+/t32-,34-,35-,40?/m0/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCC(CC4)C(=O)C5=CC=CC=C5)O)C
InChI: InChI=1S/C27H35NO4/c1-17-7-6-10-20-15-22-23(25(30)27(17,20)2)21(26(31)32-22)16-28-13-11-19(12-14-28)24(29)18-8-4-3-5-9-18/h3-5,8-10,17,19,21-23,25,30H,6-7,11-16H2,1-2H3/t17-,21-,22+,23+,25+,27+/m0/s1
SMILES: C/C=C\1/C[C@@H]([C@@](C(=O)OCC2=CC[N+]3(C2([C@@H](CC3)OC1=O)[O-])C)(C)O)C
InChI: InChI=1S/C19H27NO6/c1-5-13-10-12(2)18(3,23)17(22)25-11-14-6-8-20(4)9-7-15(19(14,20)24)26-16(13)21/h5-6,12,15,23H,7-11H2,1-4H3/b13-5-/t12-,15+,18+,19?,20?/m0/s1
SMILES: CC1(O[C@H]2[C@H](C[C@H]3[C@H]([C@@H]2O1)NC(=O)C4=CC5=C(C=C34)OCO5)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H33NO6Si/c1-22(2,3)31(6,7)30-17-9-13-12-8-15-16(27-11-26-15)10-14(12)21(25)24-18(13)20-19(17)28-23(4,5)29-20/h8,10,13,17-20H,9,11H2,1-7H3,(H,24,25)/t13-,17+,18-,19+,20+/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN(C)CC=C
InChI: InChI=1S/C33H41N3O4/c1-5-19-36(4)21-30-23(3)31(26-13-11-24(22-37)12-14-26)40-32(39-30)27-17-15-25(16-18-27)29-10-8-7-9-28(29)20-35-33(38)34-6-2/h5,7-18,23,30-32,37H,1,6,19-22H2,2-4H3,(H2,34,35,38)/t23-,30+,31+,32+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](O[C@@H]1[C@@](C)(C[C@H](C)CS(=O)(=O)C2=NC3=CC=CC=C3S2)O)C)OC
InChI: InChI=1S/C20H29NO5S2/c1-12(10-20(4,22)18-13(2)17(25-5)14(3)26-18)11-28(23,24)19-21-15-8-6-7-9-16(15)27-19/h6-9,12-14,17-18,22H,10-11H2,1-5H3/t12-,13+,14-,17+,18-,20+/m0/s1
SMILES: C[C@H](/C=N\N(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C24H38N2O/c1-16(15-25-26(4)5)20-8-9-21-19-7-6-17-14-18(27)10-12-23(17,2)22(19)11-13-24(20,21)3/h14-16,19-22H,6-13H2,1-5H3/b25-15-/t16-,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)C#N)C
InChI: InChI=1S/C22H29NO2/c1-13(24)17-6-7-18-16-5-4-15-10-20(25)14(12-23)11-22(15,3)19(16)8-9-21(17,18)2/h10,14,16-19H,4-9,11H2,1-3H3/t14-,16-,17+,18-,19-,21+,22-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)C(=C)CO)C
InChI: InChI=1S/C32H52O3/c1-20(19-33)22-11-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(C)(C)C)S[C@H]2C/C(=N\NC(=S)N)/[C@H]3OC[C@@H]2O3
InChI: InChI=1S/C18H25N3O2S2/c1-10-5-6-11(18(2,3)4)7-14(10)25-15-8-12(20-21-17(19)24)16-22-9-13(15)23-16/h5-7,13,15-16H,8-9H2,1-4H3,(H3,19,21,24)/b20-12+/t13-,15-,16-/m0/s1
SMILES: C1CN(CC[NH+]1CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C3=CC=CC=[NH+]3
InChI: InChI=1S/C15H21ClN4O3S/c16-12-10-24(22,23)11-13(12)18-15(21)9-19-5-7-20(8-6-19)14-3-1-2-4-17-14/h1-4,12-13H,5-11H2,(H,18,21)/p+2/t12-,13+/m1/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)C4=CC=CC=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CSC7=NN=CN7C
InChI: InChI=1S/C38H36N6O4S/c1-24-34(22-49-38-43-41-23-44(38)2)47-37(48-35(24)27-13-11-25(21-45)12-14-27)28-17-15-26(16-18-28)30-8-4-3-7-29(30)19-40-36(46)33-20-39-31-9-5-6-10-32(31)42-33/h3-18,20,23-24,34-35,37,45H,19,21-22H2,1-2H3,(H,40,46)/t24-,34+,35+,37+/m1/s1
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES: C[C@]12C[C@@H]3[C@]4([C@]56C1C(=O)[C@](O5)([C@@H]7C[C@H]([C@]8(CC=CC(=O)[C@@]8([C@H]7[C@H](C[C@]6(C(=O)O4)O)O)C)O)O)OC[C@H]2C(=O)O3)C
InChI: InChI=1S/C28H32O12/c1-22-9-16-24(3)28-18(22)19(32)27(40-28,37-10-12(22)20(33)38-16)11-7-15(31)25(35)6-4-5-14(30)23(25,2)17(11)13(29)8-26(28,36)21(34)39-24/h4-5,11-13,15-18,29,31,35-36H,6-10H2,1-3H3/t11-,12+,13+,15-,16-,17-,18?,22-,23-,24+,25+,26-,27-,28+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(23)12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(24)25/h1-2,4-10,14-15,18,20H,3H2,(H,22,23)/t14-,15-,18+/m0/s1
SMILES: CC[C@H](C)C1=CC=C(C=C1)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C
InChI: InChI=1S/C18H27NO6/c1-4-10(2)12-5-7-13(8-6-12)24-18-15(19-11(3)21)17(23)16(22)14(9-20)25-18/h5-8,10,14-18,20,22-23H,4,9H2,1-3H3,(H,19,21)/t10-,14+,15-,16+,17+,18-/m0/s1
SMILES: CC1=C(C(=CC=C1)CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3C4=CC(=CC=C4)OCC5CCCO5)C
InChI: InChI=1S/C29H38N2O3/c1-20-6-3-8-23(21(20)2)18-31(24-11-12-24)29(32)28-17-30-14-13-27(28)22-7-4-9-25(16-22)34-19-26-10-5-15-33-26/h3-4,6-9,16,24,26-28,30H,5,10-15,17-19H2,1-2H3/t26?,27-,28+/m1/s1
SMILES: CCC1=CC=C(C=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)C)O)C)C)C7=CC(=NN7C)C8=C(C9=C(S8)C=CC(=C9)Cl)C
InChI: InChI=1S/C44H41ClN4O5S/c1-7-24-8-11-27(12-9-24)48-40(51)29-14-13-28-31(36(29)42(48)53)19-32-41(52)49(43(54)44(32,5)37(28)25-16-21(2)38(50)22(3)17-25)35-20-33(46-47(35)6)39-23(4)30-18-26(45)10-15-34(30)55-39/h8-13,15-18,20,29,31-32,36-37,50H,7,14,19H2,1-6H3/t29-,31+,32-,36-,37-,44+/m0/s1
SMILES: COC(=O)COC1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)[O-]
InChI: InChI=1S/C22H21NO5/c1-27-20(24)12-28-15-8-5-13(6-9-15)21-17-4-2-3-16(17)18-11-14(22(25)26)7-10-19(18)23-21/h2-3,5-11,16-17,21,23H,4,12H2,1H3,(H,25,26)/p-1/t16-,17+,21+/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=COC8=C(C7)C=C(C=C8)O)C9=CC=C(C=C9)Cl)NC1=C(C=C(C=N1)C(F)(F)F)Cl
InChI: InChI=1S/C45H36Cl2F3N5O7/c46-27-3-1-25(2-4-27)44-34(41(58)55(43(44)60)52-39-35(47)19-26(21-51-39)45(48,49)50)20-33-31(38(44)24-17-23-18-30(56)9-12-36(23)62-22-24)10-11-32-37(33)42(59)54(40(32)57)29-7-5-28(6-8-29)53-13-15-61-16-14-53/h1-10,12,18-19,21-22,32-34,37-38,56H,11,13-17,20H2,(H,51,52)/t32-,33+,34-,37-,38-,44+/m0/s1
SMILES: CC(C)COC1=CC=CC(=C1)COC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C
InChI: InChI=1S/C21H30O3/c1-14(2)10-18-19(21(18,5)6)20(22)24-13-16-8-7-9-17(11-16)23-12-15(3)4/h7-11,15,18-19H,12-13H2,1-6H3/t18-,19+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC(=CC=C4)O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)CC6=CC=CC=C6
InChI: InChI=1S/C29H22BrNO5/c30-22-13-23(33)26-21(27(22)34)12-20-18(24(26)16-7-4-8-17(32)11-16)9-10-19-25(20)29(36)31(28(19)35)14-15-5-2-1-3-6-15/h1-9,11,13,19-20,24-25,32H,10,12,14H2/t19-,20+,24-,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C21H31NO6/c1-14-7-5-6-8-16(14)22-19(23)13-28-20(24)10-9-15-11-17(25-2)21(27-4)18(12-15)26-3/h11-12,14,16H,5-10,13H2,1-4H3,(H,22,23)/t14-,16+/m1/s1
SMILES: CC[C@@](C1=CC=CC=C1)(C(=O)O[C@@H]2CCCC[C@H]2OC3=CC=C(C=C3)C(C)(C)C)O
InChI: InChI=1S/C26H34O4/c1-5-26(28,20-11-7-6-8-12-20)24(27)30-23-14-10-9-13-22(23)29-21-17-15-19(16-18-21)25(2,3)4/h6-8,11-12,15-18,22-23,28H,5,9-10,13-14H2,1-4H3/t22-,23-,26-/m1/s1
SMILES: COC1=CC=CC(=C1)/C(=N\OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)/N
InChI: InChI=1S/C19H21N3O5/c1-26-13-6-4-5-12(11-13)17(20)21-27-16(23)9-10-22-18(24)14-7-2-3-8-15(14)19(22)25/h2-6,11,14-15H,7-10H2,1H3,(H2,20,21)/t14-,15-/m1/s1
SMILES: C[C@@]1(C=C([C@@H]2[C@]3([C@@H](CCC([C@@H]3[C@H]4[C@@H]([C@]2(O1)C)OC(O4)(C)C)(C)C)O)C)OC)C=C
InChI: InChI=1S/C24H38O5/c1-10-22(6)13-14(26-9)17-23(7)15(25)11-12-20(2,3)18(23)16-19(24(17,8)29-22)28-21(4,5)27-16/h10,13,15-19,25H,1,11-12H2,2-9H3/t15-,16+,17-,18+,19+,22+,23-,24+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](OC2(O1)[C@H](CCC3=CC=CC=C23)Br)C(=O)OC
InChI: InChI=1S/C16H17BrO6/c1-20-14(18)12-13(15(19)21-2)23-16(22-12)10-6-4-3-5-9(10)7-8-11(16)17/h3-6,11-13H,7-8H2,1-2H3/t11-,12+,13+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO)C(=O)CC4=CC=CC=C4
InChI: InChI=1S/C35H41IN2O9/c1-44-26-9-10-29(45-2)24(18-26)11-13-38(32(41)17-22-7-5-4-6-8-22)28-19-25(35(43)37-12-14-39)20-30(33(28)42)47-34-27(36)15-23(21-40)16-31(34)46-3/h4-10,15-16,18,20,28,30,33,39-40,42H,11-14,17,19,21H2,1-3H3,(H,37,43)/t28-,30+,33+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H](C[C@H](O2)COC(=O)CC3=CC=CC=C3C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C57H55NO13/c1-62-56-53(66-36-41-23-11-4-12-24-41)52(65-35-40-21-9-3-10-22-40)50(64-34-39-19-7-2-8-20-39)48(70-56)38-67-57-51(71-55(61)43-27-15-6-16-28-43)47(69-54(60)42-25-13-5-14-26-42)32-46(68-57)37-63-49(59)31-44-29-17-18-30-45(44)33-58/h2-30,46-48,50-53,56-57H,31-32,34-38H2,1H3/t46-,47-,48+,50+,51+,52-,53+,56-,57+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H20N2O7/c1-11(23-19(26)13-4-2-3-5-14(13)20(23)27)21(28)30-9-16(24)12-6-7-17-15(8-12)22-18(25)10-29-17/h2-3,6-8,11,13-14H,4-5,9-10H2,1H3,(H,22,25)/t11-,13-,14+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CCCOC)C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5=CC=C(S5)C)O)C)C)O)C(C)C
InChI: InChI=1S/C43H63NO6S/c1-28(2)34-16-12-30(4)24-38(34)50-41(47)44(22-9-23-49-7)27-43(48)21-19-37-35-17-14-32(26-36(35)40(46)39-18-13-31(5)51-39)25-33(45)15-11-29(3)10-8-20-42(37,43)6/h10,13-14,17-18,26,28,30,33-34,37-38,45,48H,8-9,11-12,15-16,19-25,27H2,1-7H3/t30-,33-,34+,37-,38-,42-,43+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C42H50O15/c1-26(43)48-24-34-36(53-27(2)44)38(54-28(3)45)40(55-29(4)46)42(57-34)52-25-33-35(49-21-30-15-9-6-10-16-30)37(50-22-31-17-11-7-12-18-31)39(41(47-5)56-33)51-23-32-19-13-8-14-20-32/h6-20,33-42H,21-25H2,1-5H3/t33-,34-,35-,36-,37+,38+,39-,40-,41+,42-/m1/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)CNC(=O)OCC=C)CN4CC5(CC4CC(C5)(C)C)C
InChI: InChI=1S/C34H46N2O5/c1-6-15-39-32(38)35-18-24-7-13-27(14-8-24)31-40-29(19-36-22-34(5)17-28(36)16-33(3,4)21-34)23(2)30(41-31)26-11-9-25(20-37)10-12-26/h6-14,23,28-31,37H,1,15-22H2,2-5H3,(H,35,38)/t23-,28?,29+,30+,31+,34?/m1/s1
SMILES: C[C@]12CC3=C(C=C1CC[C@]2(CCC4=CC=CC=C4F)O)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C25H24F2N2O/c1-24-15-18-16-28-29(21-8-6-20(26)7-9-21)23(18)14-19(24)11-13-25(24,30)12-10-17-4-2-3-5-22(17)27/h2-9,14,16,30H,10-13,15H2,1H3/t24-,25-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)[P@@]2[C@H](C(C2(C)C)(C)C)C3O[C@@H]([C@H](O3)C)C)C(C)C.C[C@@H]1CC[C@H]([C@@H](C1)[P@@]2[C@H](C(C2(C)C)(C)C)C3O[C@@H]([C@H](O3)C)C)C(C)C.Cl[Pd]Cl
InChI: InChI=1S/2C22H41O2P.2ClH.Pd/c2*1-13(2)17-11-10-14(3)12-18(17)25-19(21(6,7)22(25,8)9)20-23-15(4)16(5)24-20;;;/h2*13-20H,10-12H2,1-9H3;2*1H;/q;;;;+2/p-2/t2*14-,15-,16-,17+,18-,19+,25-;;;/m11.../s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]24[C@@H](OC(O4)(C)C)C(=O)OC)CCC5=CC(=O)C=C[C@]35C)O
InChI: InChI=1S/C25H34O6/c1-22(2)30-20(21(28)29-5)25(31-22)11-9-17-16-7-6-14-12-15(26)8-10-23(14,3)19(16)18(27)13-24(17,25)4/h8,10,12,16-20,27H,6-7,9,11,13H2,1-5H3/t16-,17-,18-,19+,20-,23-,24-,25-/m0/s1
SMILES: [2H][C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCCCCC
InChI: InChI=1S/C39H38O10/c1-2-3-16-25-44-39-34(49-38(43)30-23-14-7-15-24-30)33(48-37(42)29-21-12-6-13-22-29)32(47-36(41)28-19-10-5-11-20-28)31(46-39)26-45-35(40)27-17-8-4-9-18-27/h4-15,17-24,31-34,39H,2-3,16,25-26H2,1H3/t31-,32-,33+,34-,39-/m1/s1/i39D
SMILES: CCCCCOC(=O)C(C)C1=CC2=C(C=C1)C(=O)[C@@H]3CCCC[C@H]3CS2
InChI: InChI=1S/C22H30O3S/c1-3-4-7-12-25-22(24)15(2)16-10-11-19-20(13-16)26-14-17-8-5-6-9-18(17)21(19)23/h10-11,13,15,17-18H,3-9,12,14H2,1-2H3/t15?,17-,18+/m0/s1
SMILES: COC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC(=O)NCC8=CC=CC=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H63N3O10/c1-3-29-63-53-47(56(52(60)61-2)35-39-21-15-20-37-18-7-8-22-41(37)39)33-45(55-66-48-24-11-14-30-62-48)43-31-38(19-9-12-27-57)42(23-10-13-28-58)49(50(43)53)44-32-40(25-26-46(44)65-53)64-51(59)54-34-36-16-5-4-6-17-36/h3-8,15-18,20-22,25-26,31-32,38,42,47-50,57-58H,1,9-14,19,23-24,27-30,33-35H2,2H3,(H,54,59)/t38-,42+,47-,48?,49+,50+,53+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=NN3C(=NC4=CC=CC=C4C3=O)[C@H]5[C@@H]2[C@H]6CC[C@@H]5C6
InChI: InChI=1S/C23H21N3O/c1-13-6-8-14(9-7-13)21-19-15-10-11-16(12-15)20(19)22-24-18-5-3-2-4-17(18)23(27)26(22)25-21/h2-9,15-16,19-20H,10-12H2,1H3/t15-,16+,19-,20+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C15H20O13S2/c1-8-11(26-14(16)9-4-6-10(23-2)7-5-9)12(27-29(17,18)19)13(15(24-3)25-8)28-30(20,21)22/h4-8,11-13,15H,1-3H3,(H,17,18,19)(H,20,21,22)/t8-,11-,12+,13+,15+/m0/s1