EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC=C2[C@H](C1)[C@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H18N4/c24-12-20-17-9-3-4-10-19(17)21(23(13-25,14-26)22(20)27)18-11-5-7-15-6-1-2-8-16(15)18/h1-2,5-9,11,19-21,27H,3-4,10H2/t19-,20+,21+/m0/s1
SMILES: COC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C35H27BrCl2N2O7/c1-47-25-9-5-8-23(29(25)42)27-21-14-15-22-26(24(21)16-34(37)32(45)39(17-36)33(46)35(27,34)38)31(44)40(30(22)43)20-12-10-19(11-13-20)28(41)18-6-3-2-4-7-18/h2-14,22,24,26-27,42H,15-17H2,1H3/t22-,24+,26-,27+,34+,35-/m0/s1
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)[C@H](CC[C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C20H24O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h4-5,8,10,12,15,17-18,20-24,26-27H,2-3,6H2,1H3/t8-,10+,12-,15-,17+,18-,20-/m1/s1
SMILES: CC1=C2[C@H]3[C@H](C3(C)C)CC2=C(S1)C(=O)NCC4=C(C=C(C=C4)OCC5=CN=CC=C5)OC
InChI: InChI=1S/C26H28N2O3S/c1-15-22-19(11-20-23(22)26(20,2)3)24(32-15)25(29)28-13-17-7-8-18(10-21(17)30-4)31-14-16-6-5-9-27-12-16/h5-10,12,20,23H,11,13-14H2,1-4H3,(H,28,29)/t20-,23-/m1/s1
SMILES: CCCC[C@@H]1[C@@H](C[C@@]([C@H]2[C@@H]1O2)(C)OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H26O3/c1-3-4-10-14-15(19)11-18(2,17-16(14)21-17)20-12-13-8-6-5-7-9-13/h5-9,14-17,19H,3-4,10-12H2,1-2H3/t14-,15-,16-,17-,18-/m1/s1
SMILES: C/C=C/C=C/CO[Si](O[C@H]1[C@H]2[C@@H](CO[C@]13COC(O3)(C)C)OC(O2)(C)C)(O[C@H]4[C@H]5[C@@H](CO[C@]46COC(O6)(C)C)OC(O5)(C)C)O[C@H]7[C@H]8[C@@H](CO[C@]79COC(O9)(C)C)OC(O8)(C)C
InChI: InChI=1S/C42H66O19Si/c1-14-15-16-17-18-49-62(56-31-28-25(50-37(8,9)53-28)19-43-40(31)22-46-34(2,3)59-40,57-32-29-26(51-38(10,11)54-29)20-44-41(32)23-47-35(4,5)60-41)58-33-30-27(52-39(12,13)55-30)21-45-42(33)24-48-36(6,7)61-42/h14-17,25-33H,18-24H2,1-13H3/b15-14+,17-16+/t25-,26-,27-,28-,29-,30-,31+,32+,33+,40+,41+,42+/m1/s1
SMILES: C[C@@H]([C@@H]1[C@H](C[C@@H](O1)OC)O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C23H32O4Si/c1-17(22-20(24)16-21(25-5)26-22)27-28(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-22,24H,16H2,1-5H3/t17-,20-,21+,22+/m0/s1
SMILES: CCC(=O)N1[C@@H]2[C@@H]3CC[C@]([C@@H]2OC1=O)(C3(C)C)C
InChI: InChI=1S/C14H21NO3/c1-5-9(16)15-10-8-6-7-14(4,13(8,2)3)11(10)18-12(15)17/h8,10-11H,5-7H2,1-4H3/t8-,10+,11+,14+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@H]35
InChI: InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1
SMILES: C1C(=O)C2=C(NC=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI: InChI=1S/C11H13FN4O4/c12-7-9(19)6(2-17)20-11(7)16-4-15-8-5(18)1-13-3-14-10(8)16/h3-4,6-7,9,11,17,19H,1-2H2,(H,13,14)/t6-,7+,9-,11-/m1/s1
SMILES: C[C@@]12C=CO[C@@H]([C@]13[C@H]2CCCO3)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C18H20O2/c1-17-11-13-19-16(10-9-14-6-3-2-4-7-14)18(17)15(17)8-5-12-20-18/h2-4,6-7,9-11,13,15-16H,5,8,12H2,1H3/b10-9+/t15-,16+,17-,18+/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1C(=O)C)NCC3=CC(=C(C=C3)C#C[C@]4(CC[C@@]5([C@H]6C[C@@H]([C@]7([C@H]([C@@H]6[C@@H](CC5C4)O)CC[C@@H]7[C@H](C)CCC(=O)O)C)O)C)O)F
InChI: InChI=1S/C45H55FN2O6/c1-25(10-15-39(52)53)32-13-14-33-41-34(22-38(51)44(32,33)5)43(4)18-19-45(54,23-30(43)21-37(41)50)17-16-29-12-11-28(20-35(29)46)24-47-42-31-8-6-7-9-36(31)48-26(2)40(42)27(3)49/h6-9,11-12,20,25,30,32-34,37-38,41,50-51,54H,10,13-15,18-19,21-24H2,1-5H3,(H,47,48)(H,52,53)/t25-,30?,32-,33+,34+,37-,38+,41+,43+,44-,45-/m1/s1
SMILES: C1CC1C2(O[C@@H]3C=C(C[C@H]([C@@H]3O2)OC(=O)C4=CC=CC=C4C=CCO[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C(=O)NCCC(=O)NCCO)C6CC6
InChI: InChI=1S/C35H46N2O13/c38-14-13-36-27(40)11-12-37-32(44)20-16-24(31-25(17-20)49-35(50-31,21-7-8-21)22-9-10-22)47-33(45)23-6-2-1-4-19(23)5-3-15-46-34-30(43)29(42)28(41)26(18-39)48-34/h1-6,17,21-22,24-26,28-31,34,38-39,41-43H,7-16,18H2,(H,36,40)(H,37,44)/t24-,25-,26-,28+,29+,30-,31+,34+/m1/s1
SMILES: CC1(OC[C@]2(O1)[C@@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)O)C
InChI: InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=CN=C(N=C5C4)C6=CC=CC=C6)C
InChI: InChI=1S/C28H36N2O/c1-26-16-19-17-29-25(18-7-5-4-6-8-18)30-24(19)15-20(26)9-10-21-22(26)11-13-27(2)23(21)12-14-28(27,3)31/h4-8,17,20-23,31H,9-16H2,1-3H3/t20-,21+,22-,23-,26-,27-,28-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)F)N=[N+]=[N-])OCC2=CC=CC=C2)OC
InChI: InChI=1S/C16H20FN3O5/c1-10(21)23-9-12-14(22-2)15(13(19-20-18)16(17)25-12)24-8-11-6-4-3-5-7-11/h3-7,12-16H,8-9H2,1-2H3/t12-,13-,14-,15-,16?/m1/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@H]2C=C([C@H]([C@@H]3[C@H]2C(=O)N(C3=O)C)N(C4=CC=C(C=C4)OC)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C29H34N2O6S/c1-17-8-14-21(15-9-17)38(35)22-16-18(2)25(24-23(22)26(32)30(6)27(24)33)31(28(34)37-29(3,4)5)19-10-12-20(36-7)13-11-19/h8-16,22-25H,1-7H3/t22-,23-,24-,25+,38-/m0/s1
SMILES: CCCC(=O)O[C@H]1CC[C@]2([C@H]([C@]1(C)COC(=O)C)C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C
InChI: InChI=1S/C33H41NO10/c1-7-9-26(37)43-24-11-12-31(4)23(32(24,5)17-40-18(2)35)15-25(41-19(3)36)33(6)29(31)28(38)27-22(44-33)14-21(42-30(27)39)20-10-8-13-34-16-20/h8,10,13-14,16,23-25,28-29,38H,7,9,11-12,15,17H2,1-6H3/t23-,24+,25+,28+,29-,31+,32+,33-/m1/s1
SMILES: CC(C)CCC(=O)CC[C@]1(C2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O)C
InChI: InChI=1S/C23H35NO2/c1-16(2)6-8-18(25)10-11-23(4)21-14-17-7-9-19(26)15-20(17)22(23,3)12-13-24(21)5/h7,9,15-16,21,26H,6,8,10-14H2,1-5H3/t21?,22-,23+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)O
InChI: InChI=1S/C33H24ClF4N3O7/c34-16-3-1-15(2-4-16)32-24(29(44)40(31(32)46)39-18-7-5-17(35)6-8-18)14-22-20(10-11-21-26(22)30(45)41(47)28(21)43)27(32)23-13-19(9-12-25(23)42)48-33(36,37)38/h1-10,12-13,21-22,24,26-27,39,42,47H,11,14H2/t21-,22+,24-,26-,27+,32+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)CCCSC(=O)C)O)O)OC(=O)CCCSC(=O)C)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C43H57NO15S2/c1-22-27(57-39(54)35(52)33(26-13-9-8-10-14-26)44-30(49)15-11-17-60-24(3)46)20-43(55)38(58-31(50)16-12-18-61-25(4)47)36-41(7,37(53)34(51)32(22)40(43,5)6)28(48)19-29-42(36,21-56-29)59-23(2)45/h8-10,13-14,27-29,33-36,38,48,51-52,55H,11-12,15-21H2,1-7H3,(H,44,49)/t27-,28-,29+,33-,34+,35+,36-,38-,41+,42-,43+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)O)C2=CC=CC3=C2CC4=CC=CC=C43)CCCO
InChI: InChI=1S/C24H26O5/c1-2-28-24-19(11-6-12-25)21(14-22(29-24)23(26)27)18-10-5-9-17-16-8-4-3-7-15(16)13-20(17)18/h3-5,7-10,14,19,21,24-25H,2,6,11-13H2,1H3,(H,26,27)/t19-,21+,24+/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)N)F
InChI: InChI=1S/C17H18FN3O2/c18-12-7-9(19)1-3-11(12)15-5-6-16(23-15)17(22)21-14-8-10-2-4-13(14)20-10/h1,3,5-7,10,13-14,20H,2,4,8,19H2,(H,21,22)/t10-,13+,14-/m1/s1
SMILES: C[C@]12CCC[N@@+]([C@@H]1CC[C@@]3([C@H]2O3)C)(CC(=O)NC4=CC=C(C=C4)NC(=O)CCCC(=O)O)O
InChI: InChI=1S/C24H33N3O6/c1-23-12-4-14-27(32,18(23)11-13-24(2)22(23)33-24)15-20(29)26-17-9-7-16(8-10-17)25-19(28)5-3-6-21(30)31/h7-10,18,22,32H,3-6,11-15H2,1-2H3,(H2-,25,26,28,29,30,31)/p+1/t18-,22+,23+,24-,27+/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)CC(=C[C@@H]2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)(C)OC)OC
InChI: InChI=1S/C21H25NO10/c1-20(28-4)21(2,29-5)32-17-15(10-13(18(23)27-3)11-16(17)31-20)30-19(24)12-6-8-14(9-7-12)22(25)26/h6-10,15-17H,11H2,1-5H3/t15-,16+,17+,20-,21-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C28H22ClF2N3O6/c1-28-16(24(37)33(26(28)39)12-3-6-18(30)17(29)9-12)10-15-13(22(28)11-2-7-20(35)19(31)8-11)4-5-14-21(15)25(38)34(23(14)36)27(32)40/h2-4,6-9,14-16,21-22,35H,5,10H2,1H3,(H2,32,40)/t14-,15+,16-,21-,22-,28+/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OC=O)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C
InChI: InChI=1S/C41H52O6Si2/c1-39(2,3)48(32-21-13-9-14-22-32,33-23-15-10-16-24-33)44-29-36(43-31-42)38-37(46-41(7,8)47-38)30-45-49(40(4,5)6,34-25-17-11-18-26-34)35-27-19-12-20-28-35/h9-28,31,36-38H,29-30H2,1-8H3/t36-,37-,38+/m1/s1
SMILES: C1CC1NC2=CC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl
InChI: InChI=1S/C14H17ClN4O4/c15-9-3-7(17-6-1-2-6)10-13(18-9)19(5-16-10)14-12(22)11(21)8(4-20)23-14/h3,5-6,8,11-12,14,20-22H,1-2,4H2,(H,17,18)/t8-,11-,12-,14-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC3=COC(=N3)C4=CC=CS4
InChI: InChI=1S/C17H19NO3S/c19-16(8-13-7-11-3-4-12(13)6-11)20-9-14-10-21-17(18-14)15-2-1-5-22-15/h1-2,5,10-13H,3-4,6-9H2/t11-,12+,13-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2[C@@H]([C@@H]3CNC[C@H]3CO2)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H22F7NO2/c1-12(14-6-16(22(25,26)27)8-17(7-14)23(28,29)30)33-21-20(13-2-4-18(24)5-3-13)19-10-31-9-15(19)11-32-21/h2-8,12,15,19-21,31H,9-11H2,1H3/t12-,15+,19-,20-,21?/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@@]2(CC3=C(C=CC=C3Cl)N4[C@@H]2CCC4)C(=O)NC1=S
InChI: InChI=1S/C19H22ClN3O2S/c1-3-11(2)23-17(25)19(16(24)21-18(23)26)10-12-13(20)6-4-7-14(12)22-9-5-8-15(19)22/h4,6-7,11,15H,3,5,8-10H2,1-2H3,(H,21,24,26)/t11-,15-,19-/m1/s1
SMILES: C[C@@H]1CC2=CC(=O)C=C[C@]2([C@@H]3[C@@H]1[C@@H]4CCC5([C@@]4(CC3)C)OCCO5)C
InChI: InChI=1S/C22H30O3/c1-14-12-15-13-16(23)4-7-20(15,2)17-5-8-21(3)18(19(14)17)6-9-22(21)24-10-11-25-22/h4,7,13-14,17-19H,5-6,8-12H2,1-3H3/t14-,17+,18+,19-,20-,21-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)I)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H31IN2O7/c1-35-25(32(41)38(34(35)43)20-7-5-4-6-8-20)17-24-22(29(35)18-15-26(44-2)30(39)27(16-18)45-3)13-14-23-28(24)33(42)37(31(23)40)21-11-9-19(36)10-12-21/h4-13,15-16,23-25,28-29,39H,14,17H2,1-3H3/t23-,24+,25-,28-,29-,35+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COC(=O)CCC(=O)O)C)O
InChI: InChI=1S/C25H34O7/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,23+,24-,25-/m0/s1
SMILES: CN(CC1=CC=C(C=C1)N2CCOCC2)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H27N3O3/c1-22(15-24-20(25)18-4-2-3-5-19(18)21(24)26)14-16-6-8-17(9-7-16)23-10-12-27-13-11-23/h2-3,6-9,18-19H,4-5,10-15H2,1H3/t18-,19+
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O3S/c26-23(25-14-13-19-9-4-5-10-21(19)17-25)20-11-6-12-22(15-20)29(27,28)24-16-18-7-2-1-3-8-18/h1-3,6-8,11-12,15,19,21,24H,4-5,9-10,13-14,16-17H2/t19-,21-/m1/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C(=O)[C@H](CCC(=O)OC(C)(C)C)N)C2=CC=CC=C2
InChI: InChI=1S/C20H29N3O4/c1-13-17(14-9-7-6-8-10-14)23(19(26)22(13)5)18(25)15(21)11-12-16(24)27-20(2,3)4/h6-10,13,15,17H,11-12,21H2,1-5H3/t13-,15-,17-/m0/s1
SMILES: COC1=CC=C(C=C1)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F
InChI: InChI=1S/C18H21F3N2O7/c1-28-9-4-2-8(3-5-9)6-10-15(18(19,20)21)22-23-16(10)30-17-14(27)13(26)12(25)11(7-24)29-17/h2-5,11-14,17,24-27H,6-7H2,1H3,(H,22,23)/t11-,12-,13+,14-,17+/m1/s1
SMILES: COC1=C(C=C(C=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)C9=NC1=CC=CC=C1O9)O
InChI: InChI=1S/C48H36N2O7/c1-56-40-23-18-29(24-38(40)51)43-32-21-22-33-42(47(55)50(46(33)54)31-19-16-28(17-20-31)45-49-37-14-8-9-15-39(37)57-45)35(32)25-36-44(53)34(27-10-4-2-5-11-27)26-41(52)48(36,43)30-12-6-3-7-13-30/h2-21,23-24,26,33,35-36,42-43,51H,22,25H2,1H3/t33-,35+,36-,42-,43-,48-/m0/s1
SMILES: C1CC2=C(C(=CC=C2)C3CCN(CC3)[C@@H]4CC5=C([C@H]4O)C=CC(=C5)F)OC1
InChI: InChI=1S/C23H26FNO2/c24-18-6-7-19-17(13-18)14-21(22(19)26)25-10-8-15(9-11-25)20-5-1-3-16-4-2-12-27-23(16)20/h1,3,5-7,13,15,21-22,26H,2,4,8-12,14H2/t21-,22-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20-,21-,23-,24-/m1/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)CCC(=O)O)CSCCO
InChI: InChI=1S/C25H31NO7S/c1-16-21(15-34-12-11-27)32-25(33-24(16)18-7-5-17(14-28)6-8-18)19-3-2-4-20(13-19)26-22(29)9-10-23(30)31/h2-8,13,16,21,24-25,27-28H,9-12,14-15H2,1H3,(H,26,29)(H,30,31)/t16-,21+,24+,25+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@@H](CO[C@@H](O2)C3=CC=CC=C3)OC1=O
InChI: InChI=1S/C14H14O6/c1-8(15)18-12-11-10(19-13(12)16)7-17-14(20-11)9-5-3-2-4-6-9/h2-6,10-12,14H,7H2,1H3/t10-,11+,12+,14+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)C(=O)OC
InChI: InChI=1S/C29H50O3Si/c1-19(26(30)31-7)23-12-13-24-22-11-10-20-18-21(32-33(8,9)27(2,3)4)14-16-28(20,5)25(22)15-17-29(23,24)6/h10,19,21-25H,11-18H2,1-9H3/t19-,21-,22-,23+,24-,25-,28-,29+/m0/s1
SMILES: CC1=C(C=CC(=C1C)N=NC2=CC=CC(=C2)C(F)(F)F)NC[C@@H]3CCCN4[C@@H]3CCCC4
InChI: InChI=1S/C25H31F3N4/c1-17-18(2)23(31-30-21-9-5-8-20(15-21)25(26,27)28)12-11-22(17)29-16-19-7-6-14-32-13-4-3-10-24(19)32/h5,8-9,11-12,15,19,24,29H,3-4,6-7,10,13-14,16H2,1-2H3/t19-,24+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=CC=CC=C23)C4=CC=C(C=C4)C(=O)N/N=C\C5=CC=CC=C5
InChI: InChI=1S/C26H23N3O/c30-26(29-27-17-18-7-2-1-3-8-18)20-15-13-19(14-16-20)25-23-11-6-10-21(23)22-9-4-5-12-24(22)28-25/h1-10,12-17,21,23,25,28H,11H2,(H,29,30)/b27-17-/t21-,23+,25+/m0/s1
SMILES: CC(C)C1=CC=CC=C1NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H26N2O3/c1-13(2)14-7-5-6-10-17(14)21-18(23)11-12-22-19(24)15-8-3-4-9-16(15)20(22)25/h5-7,10,13,15-16H,3-4,8-9,11-12H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
SMILES: CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H]3[C@@H]2OC(O3)(C)C)N4C=NC5=C(N=C(N=C54)Cl)NCC6=C(C=CC(=C6)I)OC
InChI: InChI=1S/C25H27ClIN5O5/c1-5-35-22(33)25-9-14(25)17(18-19(25)37-24(2,3)36-18)32-11-29-16-20(30-23(26)31-21(16)32)28-10-12-8-13(27)6-7-15(12)34-4/h6-8,11,14,17-19H,5,9-10H2,1-4H3,(H,28,30,31)/t14-,17-,18+,19+,25+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)C)OC
InChI: InChI=1S/C19H27NO4/c1-12-8-9-17(23-4)15(10-12)19(22)24-11-18(21)20-16-7-5-6-13(2)14(16)3/h8-10,13-14,16H,5-7,11H2,1-4H3,(H,20,21)/t13-,14-,16-/m0/s1
SMILES: [2H][C@]12C[Si](O[C@]1([C@H](C[C@H]2C3=CC=CC=C3)C)C(C)C)(C)C
InChI: InChI=1S/C18H28OSi/c1-13(2)18-14(3)11-16(15-9-7-6-8-10-15)17(18)12-20(4,5)19-18/h6-10,13-14,16-17H,11-12H2,1-5H3/t14-,16-,17+,18-/m0/s1/i17D
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H](C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O
InChI: InChI=1S/C26H23NO4/c1-2-31-16-13-11-15(12-14-16)27-25(28)23-21-17-7-3-5-9-19(17)22(24(23)26(29)30)20-10-6-4-8-18(20)21/h3-14,21-24H,2H2,1H3,(H,27,28)(H,29,30)/t21?,22?,23-,24+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C18H25NO4/c1-12-6-4-5-7-16(12)19-17(20)13(2)23-15-10-8-14(9-11-15)18(21)22-3/h8-13,16H,4-7H2,1-3H3,(H,19,20)/t12-,13-,16+/m1/s1
SMILES: C[C@@]1(C[C@H]1Br)C(=O)NNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H14BrN3O4/c1-14(8-11(14)15)13(20)17-16-12(19)7-4-9-2-5-10(6-3-9)18(21)22/h2-7,11H,8H2,1H3,(H,16,19)(H,17,20)/b7-4+/t11-,14+/m1/s1
SMILES: CC1=CC2=C([C@@H]3C4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8C(=O)OC=C)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C43H44N4O12S/c1-8-55-42(52)46-10-9-22-13-28(49)29(53-6)14-24(22)43(46)17-60-40-32-31(39-38(57-18-58-39)20(3)37(32)59-21(4)48)27(16-56-41(43)51)47-26(15-44)25-12-23-11-19(2)36(54-7)35(50)30(23)33(34(40)47)45(25)5/h8,11,13-14,25-27,33-34,40,49-50H,1,9-10,12,16-18H2,2-7H3/t25-,26-,27-,33+,34?,40+,43+/m0/s1
SMILES: CC(=O)O[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)Br)O
InChI: InChI=1S/C21H29BrO4/c1-12(23)26-21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19-,20-,21-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CNC3=CC=CC(=C3)C
InChI: InChI=1S/C17H22N2O2/c1-11-4-3-5-13(8-11)18-10-19-16(20)14-7-6-12(2)9-15(14)17(19)21/h3-5,8,12,14-15,18H,6-7,9-10H2,1-2H3/t12-,14-,15+/m0/s1
SMILES: C[Si](C)(C)OC[C@@H]1[C@@H]([C@H]([C@@](O1)(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C21H52O6Si5/c1-28(2,3)22-16-18-19(25-30(7,8)9)20(26-31(10,11)12)21(24-18,27-32(13,14)15)17-23-29(4,5)6/h18-20H,16-17H2,1-15H3/t18-,19+,20-,21-/m1/s1
SMILES: C/C/1=C/C(=O)/C=C(\[C@@H]([C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C)C(=C)C(=O)O2)O)/C
InChI: InChI=1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6-,11-8-/t14-,15+,16-,17-/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=C(C=C(C=C3)OC)OC)(CO)C(=O)OCC
InChI: InChI=1S/C20H26N2O7/c1-5-22-17(24)14-15(18(22)25)20(10-23,19(26)29-6-2)21-16(14)12-8-7-11(27-3)9-13(12)28-4/h7-9,14-16,21,23H,5-6,10H2,1-4H3/t14-,15+,16-,20-/m1/s1
SMILES: C[C@@]12C[C@H]([C@@H](C1(C)C)C[C@H]2NC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C17H23NO2/c1-16(2)12-9-14(17(16,3)10-13(12)19)18-15(20)11-7-5-4-6-8-11/h4-8,12-14,19H,9-10H2,1-3H3,(H,18,20)/t12-,13+,14+,17-/m0/s1
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3CCC(CC3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6
InChI: InChI=1S/C29H30N2O4/c1-17-2-12-23(13-3-17)35-24-14-8-21(9-15-24)30-27(32)18-6-10-22(11-7-18)31-28(33)25-19-4-5-20(16-19)26(25)29(31)34/h2-5,8-9,12-15,18-20,22,25-26H,6-7,10-11,16H2,1H3,(H,30,32)/t18?,19-,20+,22?,25-,26-/m0/s1
SMILES: CC(C)OC(=O)[C@H]1[C@@H]([C@@H]([C@H](O1)CNC(=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CN=[N+]=[N-])O)O)O)O
InChI: InChI=1S/C15H24N4O9/c1-5(2)26-15(25)13-11(23)8(20)6(28-13)3-17-14(24)12-10(22)9(21)7(27-12)4-18-19-16/h5-13,20-23H,3-4H2,1-2H3,(H,17,24)/t6-,7-,8-,9-,10-,11-,12-,13-/m1/s1
SMILES: CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]4([C@@]3(C[C@H]([C@H](C4)O)O)C)O)C)N)O
InChI: InChI=1S/C21H33NO6/c1-10(23)21(28)16(22)7-13-11-6-17(26)20(27)9-15(25)14(24)8-19(20,3)12(11)4-5-18(13,21)2/h11-16,24-25,27-28H,4-9,22H2,1-3H3/t11-,12+,13+,14-,15+,16+,18+,19-,20+,21-/m1/s1
SMILES: CC1=C([C@@H]([C@@H](C(=N)S1)C#N)C2=C[N+](=CC=C2)C)C#N
InChI: InChI=1S/C14H13N4S/c1-9-11(6-15)13(12(7-16)14(17)19-9)10-4-3-5-18(2)8-10/h3-5,8,12-13,17H,1-2H3/q+1/t12-,13-/m0/s1
SMILES: CN1[C@H]([C@H](CC1=O)C2=CC=CC=C2)[C@@H](C3=CC=C(S3)/C=C\C4=CC=C(C=C4)F)O
InChI: InChI=1S/C24H22FNO2S/c1-26-22(27)15-20(17-5-3-2-4-6-17)23(26)24(28)21-14-13-19(29-21)12-9-16-7-10-18(25)11-8-16/h2-14,20,23-24,28H,15H2,1H3/b12-9-/t20-,23-,24-/m1/s1
SMILES: CC(C)(C)OC[C@@H]1C[C@H]([C@@H]2[C@H]1OC3(O2)CCCCC3)O
InChI: InChI=1S/C16H28O4/c1-15(2,3)18-10-11-9-12(17)14-13(11)19-16(20-14)7-5-4-6-8-16/h11-14,17H,4-10H2,1-3H3/t11-,12+,13-,14+/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C[C@@H](O1)OC)C=O
InChI: InChI=1S/C15H30O4Si/c1-11(2)15(3,4)20(6,7)18-10-13-12(9-16)8-14(17-5)19-13/h9,11-14H,8,10H2,1-7H3/t12-,13+,14+/m0/s1
SMILES: C[C@@]1(CCC[C@]2([C@H]1CC[C@@H]3[C@@H]2CC(=O)[C@]4([C@@H]3[C@@H]4CO)C)C)CO
InChI: InChI=1S/C20H32O3/c1-18(11-22)7-4-8-19(2)13-9-16(23)20(3)14(10-21)17(20)12(13)5-6-15(18)19/h12-15,17,21-22H,4-11H2,1-3H3/t12-,13+,14+,15+,17+,18-,19-,20+/m1/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)O
InChI: InChI=1S/C21H19N5O3/c1-2-29-20(28)26-7-6-15-16(9-22)19(25)21(11-23,12-24)18(17(15)10-26)13-4-3-5-14(27)8-13/h3-6,8,16-18,25,27H,2,7,10H2,1H3/t16?,17-,18-/m0/s1
SMILES: C[C@H]1[C@H]([NH2+][C@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O5/c1-11-17(22)10-16(12-2-6-14(7-3-12)20(23)24)19-18(11)13-4-8-15(9-5-13)21(25)26/h2-9,11,16,18-19H,10H2,1H3/p+1/t11-,16-,18+/m1/s1
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C(=O)N/N=C\C3=C[NH2+][C@@H]4[C@@H]3C=CC=C4
InChI: InChI=1S/C18H17N3O3/c22-18(17-11-23-15-7-3-4-8-16(15)24-17)21-20-10-12-9-19-14-6-2-1-5-13(12)14/h1-10,13-14,17,19H,11H2,(H,21,22)/p+1/b20-10-/t13-,14+,17-/m1/s1
SMILES: CC(=O)N[C@]12C[C@@]3(C[C@H]([C@H]1OC(=O)C)O[C@H]([C@H]2OC(=O)C)O3)O
InChI: InChI=1S/C14H19NO8/c1-6(16)15-14-5-13(19)4-9(10(14)20-7(2)17)22-12(23-13)11(14)21-8(3)18/h9-12,19H,4-5H2,1-3H3,(H,15,16)/t9-,10-,11-,12+,13+,14-/m1/s1
SMILES: CC[C@H]1[C@]2([C@H](/C(=C/C3=CC=CC=C3)/NC2=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(O1)(C)C
InChI: InChI=1S/C26H41NO4Si/c1-10-22-26(31-25(8,9)29-22)23(30-32(17(2)3,18(4)5)19(6)7)21(27-24(26)28)16-20-14-12-11-13-15-20/h11-19,22-23H,10H2,1-9H3,(H,27,28)/b21-16-/t22-,23-,26+/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(C4CCCCC4)C(=O)C5=CC6=CC=CC=C6OC5=O)C(=O)NCCO)CO
InChI: InChI=1S/C33H36N2O9/c1-42-26-14-18(17-37)13-21-27-22(31(39)34-11-12-36)16-24(28(38)30(27)44-29(21)26)35(20-8-3-2-4-9-20)32(40)23-15-19-7-5-6-10-25(19)43-33(23)41/h5-7,10,13-16,20,24,27-28,30,36-38H,2-4,8-9,11-12,17H2,1H3,(H,34,39)/t24-,27+,28+,30+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCCCCCN=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC
InChI: InChI=1S/C50H55N5O7/c1-56-44-28-26-42(27-29-44)50(40-22-12-5-13-23-40,41-24-14-6-15-25-41)55-32-43(52-37-55)35-61-48-47(60-34-39-20-10-4-11-21-39)46(59-33-38-18-8-3-9-19-38)45(62-49(48)57-2)36-58-31-17-7-16-30-53-54-51/h3-6,8-15,18-29,32,37,45-49H,7,16-17,30-31,33-36H2,1-2H3/t45-,46-,47+,48-,49-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O[Si](C)(C)C)(C)OC)C)C)N(C(=O)O2)CCNCC4=CC=CC=C4)C
InChI: InChI=1S/C43H71N3O10Si/c1-15-33-43(8)37(46(41(50)55-43)22-21-44-25-31-19-17-16-18-20-31)28(4)34(47)26(2)24-42(7,51-11)38(29(5)35(48)30(6)39(49)53-33)54-40-36(56-57(12,13)14)32(45(9)10)23-27(3)52-40/h16-20,26-30,32-33,36-38,40,44H,15,21-25H2,1-14H3/t26-,27-,28+,29+,30-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)C1=CC=CC=C1OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H22N2O7/c1-12(23-19(26)13-7-3-4-8-14(13)20(23)27)21(28)30-11-17(24)22-18(25)15-9-5-6-10-16(15)29-2/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,22,24,25)/t12-,13-,14+/m0/s1
SMILES: CC(C)(C)[C@H](CC(=O)NC1=CC=CC=C1)C(=O)N2C[C@@H](C[C@@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC=CC6=C5C=CC(=C6)OC
InChI: InChI=1S/C38H45N5O8S/c1-6-24-21-38(24,36(47)42-52(48,49)28-13-14-28)41-33(45)31-19-27(51-34-29-15-12-26(50-5)18-23(29)16-17-39-34)22-43(31)35(46)30(37(2,3)4)20-32(44)40-25-10-8-7-9-11-25/h6-12,15-18,24,27-28,30-31H,1,13-14,19-22H2,2-5H3,(H,40,44)(H,41,45)(H,42,47)/t24-,27-,30-,31-,38-/m1/s1
SMILES: CC1(OC[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C33H40O8/c1-33(2)39-23-27(41-33)22-38-32-31(37-21-26-16-10-5-11-17-26)30(36-20-25-14-8-4-9-15-25)29(28(18-34)40-32)35-19-24-12-6-3-7-13-24/h3-17,27-32,34H,18-23H2,1-2H3/t27-,28+,29+,30-,31+,32-/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3([NH2+]1)C4=CC=CC=C4NC3=O)O
InChI: InChI=1S/C19H23N3O4/c1-9(23)14-12-13(16(25)22(15(12)24)18(2,3)4)19(21-14)10-7-5-6-8-11(10)20-17(19)26/h5-9,12-14,21,23H,1-4H3,(H,20,26)/p+1/t9-,12-,13-,14-,19-/m0/s1
SMILES: CC1=CC(=CC=C1)OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C17H22N2O5/c1-11-5-4-6-12(9-11)24-10-15(20)18-19-16(21)13-7-2-3-8-14(13)17(22)23/h4-6,9,13-14H,2-3,7-8,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t13-,14-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)NC(=O)C(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)C(=O)C(=O)N[C@H]6CCCC[C@H]6C(=O)NC(CCCC7=CC=CC=C7)CCCC8=CC=CC=C8
InChI: InChI=1S/C68H78N4O7/c73-63(67(77)71-61-39-15-13-37-59(61)65(75)69-55(33-17-29-49-21-5-1-6-22-49)34-18-30-50-23-7-2-8-24-50)53-41-45-57(46-42-53)79-58-47-43-54(44-48-58)64(74)68(78)72-62-40-16-14-38-60(62)66(76)70-56(35-19-31-51-25-9-3-10-26-51)36-20-32-52-27-11-4-12-28-52/h1-12,21-28,41-48,55-56,59-62H,13-20,29-40H2,(H,69,75)(H,70,76)(H,71,77)(H,72,78)/t59-,60-,61+,62+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(=O)O
InChI: InChI=1S/C9H12O5/c1-3-2-4-5(8(10)11)6(9(12)13)7(3)14-4/h3-7H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4+,5-,6-,7-/m0/s1