EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H]2C#C/C=C\C#C[C@H]3[C@@]4(C1)[C@]2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H20N2O5/c30-25(33-18-19-13-15-21(16-14-19)29(31)32)28-23-11-6-5-10-22(23)27-20-8-3-1-2-4-12-24(28)26(27,34-27)17-7-9-20/h1-2,5-6,10-11,13-16,20,24H,7,9,17-18H2/b2-1-/t20-,24+,26+,27-/m1/s1
SMILES: C[C@H]1C[C@@H](C2=CC=CC=C2N1C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)NC5=CC=CC=C5
InChI: InChI=1S/C26H29N3O3/c1-17-15-22(27-18-9-3-2-4-10-18)21-13-7-8-14-23(21)29(17)24(30)16-28-25(31)19-11-5-6-12-20(19)26(28)32/h2-4,7-10,13-14,17,19-20,22,27H,5-6,11-12,15-16H2,1H3/t17-,19-,20-,22-/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)C(C)C
InChI: InChI=1S/C22H31N3O4/c1-4-29-16-11-9-15(10-12-16)23-20(26)13-19-21(27)24-17-7-5-6-8-18(17)25(19)22(28)14(2)3/h9-12,14,17-19H,4-8,13H2,1-3H3,(H,23,26)(H,24,27)/t17-,18-,19-/m1/s1
SMILES: CC1(OC[C@@H](O1)CC[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C41H48O7/c1-41(2)46-29-35(48-41)23-24-36-38(43-26-32-17-9-4-10-18-32)40(45-28-34-21-13-6-14-22-34)39(44-27-33-19-11-5-12-20-33)37(47-36)30-42-25-31-15-7-3-8-16-31/h3-22,35-40H,23-30H2,1-2H3/t35-,36-,37+,38-,39-,40+/m0/s1
SMILES: CC[C@H]1CC(=O)[C@@]2([C@@H]1[C@@H]3CCC4=C(C(=O)CC[C@@]4([C@H]3CC2)C)NC)C
InChI: InChI=1S/C22H33NO2/c1-5-13-12-18(25)22(3)10-8-15-14(19(13)22)6-7-16-20(23-4)17(24)9-11-21(15,16)2/h13-15,19,23H,5-12H2,1-4H3/t13-,14+,15-,19-,21+,22+/m0/s1
SMILES: CCC1=C(N=C2CCN(CC2=C1)CC/C(=N\OC[C@H]([C@@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)O)O)/C)CC
InChI: InChI=1S/C25H39N3O6/c1-6-16-12-17-13-28(11-9-19(17)26-18(16)7-2)10-8-15(3)27-31-14-20(29)22-21(30)23-24(32-22)34-25(4,5)33-23/h12,20-24,29-30H,6-11,13-14H2,1-5H3/b27-15-/t20-,21+,22-,23-,24-/m1/s1
SMILES: CC(C)[C@@]1(C(=O)N2CC(=O)N3CCC[C@@H]3[C@]2(O1)O)NC(=O)[C@@H]4C[C@@H]5[C@H](CC6=CNC7=CC=CC5=C67)N(C4)C
InChI: InChI=1S/C28H35N5O5/c1-15(2)27(26(36)33-14-23(34)32-9-5-8-22(32)28(33,37)38-27)30-25(35)17-10-19-18-6-4-7-20-24(18)16(12-29-20)11-21(19)31(3)13-17/h4,6-7,12,15,17,19,21-22,29,37H,5,8-11,13-14H2,1-3H3,(H,30,35)/t17-,19+,21+,22-,27-,28-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1
SMILES: CC1=CC=CC=C1N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC(=CC(=C4)C)C
InChI: InChI=1S/C20H22N2O3S/c1-13-8-14(2)10-16(9-13)21-18-11-26(24,25)12-19(18)22(20(21)23)17-7-5-4-6-15(17)3/h4-10,18-19H,11-12H2,1-3H3/t18-,19+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=CC=C6C=CC(=O)N(C)C)OC(O5)(C7CC7)C8CC8
InChI: InChI=1S/C47H60N4O11/c1-45(2,3)59-37(54)23-21-33(27-52)48-42(55)34(24-28-12-8-7-9-13-28)50(6)44(57)46-25-35-38-39(61-47(60-38,31-17-18-31)32-19-20-32)41(46)62-51(40(46)43(56)58-35)26-30-15-11-10-14-29(30)16-22-36(53)49(4)5/h7-16,22,31-35,38-41,52H,17-21,23-27H2,1-6H3,(H,48,55)/t33-,34+,35+,38-,39-,40-,41+,46-/m0/s1
SMILES: C1[C@H]\2[C@H]([C@H]3[C@@H](C(=O)/C2=C(/C=C/C4=CC=CC=C4)\O)C56[C@H]7CC(=O)O[C@H]7C3C=C5O[C@@H](CC6=O)C8=CC=CC=C8)OC1=O
InChI: InChI=1S/C34H28O8/c35-22(12-11-17-7-3-1-4-8-17)28-20-14-26(37)42-33(20)29-19-13-25-34(30(29)31(28)39,21-15-27(38)41-32(19)21)24(36)16-23(40-25)18-9-5-2-6-10-18/h1-13,19-21,23,29-30,32-33,35H,14-16H2/b12-11+,28-22-/t19?,20-,21+,23+,29-,30+,32+,33-,34?/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]2/C=N/OCCN)O)C3CCCCC3
InChI: InChI=1S/C19H34N2O2/c1-18-9-7-16(15-5-3-2-4-6-15)13-19(18,22)10-8-17(18)14-21-23-12-11-20/h14-17,22H,2-13,20H2,1H3/b21-14+/t16-,17+,18+,19-/m0/s1
SMILES: C1C=C[C@H]([C@@H]([C@H]([C@@H]1N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C43H43NO5/c45-43(49-33-38-25-14-5-15-26-38)44(29-34-17-6-1-7-18-34)39-27-16-28-40(46-30-35-19-8-2-9-20-35)42(48-32-37-23-12-4-13-24-37)41(39)47-31-36-21-10-3-11-22-36/h1-26,28,39-42H,27,29-33H2/t39-,40-,41+,42+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)C)O)O)C5=CC(=C(C=C5)O)O)O)OC)OC(=O)C)O)O
InChI: InChI=1S/C32H36O18/c1-10-20(37)23(40)30(47-13(4)34)32(44-10)49-18-9-17-19(21(38)28(18)43-5)22(39)29(27(48-17)14-6-7-15(35)16(36)8-14)50-31-25(42)24(41)26(11(2)45-31)46-12(3)33/h6-11,20,23-26,30-32,35-38,40-42H,1-5H3/t10-,11-,20-,23+,24-,25+,26-,30+,31-,32-/m0/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)C=O)(C)C(=O)OC
InChI: InChI=1S/C22H30O4/c1-15-6-9-19-21(2,11-5-12-22(19,3)20(24)25-4)17(15)8-7-16-10-13-26-18(16)14-23/h10,13-14,17,19H,1,5-9,11-12H2,2-4H3/t17-,19+,21+,22-/m0/s1
SMILES: CC(C)(C)C(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CSC=C3
InChI: InChI=1S/C21H21N5OS/c1-20(2,3)19(27)26-6-4-14-15(8-22)18(25)21(11-23,12-24)17(16(14)9-26)13-5-7-28-10-13/h4-5,7,10,15-17,25H,6,9H2,1-3H3/t15?,16-,17+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C31H23BrCl2F6N2O6/c32-13-41-26(46)28(33)12-21-19(23(29(28,34)27(41)47)14-1-3-18(4-2-14)48-8-7-43)5-6-20-22(21)25(45)42(24(20)44)17-10-15(30(35,36)37)9-16(11-17)31(38,39)40/h1-5,9-11,20-23,43H,6-8,12-13H2/t20-,21+,22-,23-,28+,29-/m0/s1
SMILES: C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC5=O)C)CC(=O)O3
InChI: InChI=1S/C21H30O3/c1-19-9-10-21(12-18(23)24-21)11-13(19)3-4-14-15-5-6-17(22)20(15,2)8-7-16(14)19/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-,19-,20-,21-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)[C@H](CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C25H26N2O3/c28-23(26-15-17-9-5-2-6-10-17)20(13-16-7-3-1-4-8-16)27-24(29)21-18-11-12-19(14-18)22(21)25(27)30/h1-10,18-22H,11-15H2,(H,26,28)/t18-,19+,20-,21+,22+/m1/s1
SMILES: CC1([C@@H]([C@H]1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C=C(Cl)Cl)C
InChI: InChI=1S/C18H17Cl2N3O2S2/c1-18(2)11(8-13(19)20)14(18)15(25)21-16-22-23-17(27-16)26-9-12(24)10-6-4-3-5-7-10/h3-8,11,14H,9H2,1-2H3,(H,21,22,25)/t11-,14+/m1/s1
SMILES: CC(=CCC(C)(C)C(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2)OC3CCCCO3)C
InChI: InChI=1S/C36H52O7/c1-26(2)22-23-36(3,4)32(37)21-20-29-28(17-11-6-7-12-18-33(38)40-5)31(43-35(39)27-15-9-8-10-16-27)25-30(29)42-34-19-13-14-24-41-34/h8-10,15-16,20-22,28-31,34H,6-7,11-14,17-19,23-25H2,1-5H3/b21-20+/t28-,29-,30-,31+,34?/m1/s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C38H52O12/c1-5-6-7-8-9-16-21-42-37-35(45-23-30-19-14-11-15-20-30)33(44-22-29-17-12-10-13-18-29)31(49-37)25-46-38-36(48-28(4)41)34(47-27(3)40)32(50-38)24-43-26(2)39/h10-15,17-20,31-38H,5-9,16,21-25H2,1-4H3/t31-,32-,33-,34+,35+,36+,37+,38+/m1/s1
SMILES: CC1=CN(C(=O)N=C1OC(F)F)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C11H14F2N2O5/c1-5-3-15(8-2-6(17)7(4-16)19-8)11(18)14-9(5)20-10(12)13/h3,6-8,10,16-17H,2,4H2,1H3/t6-,7+,8+/m0/s1
SMILES: COCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO
InChI: InChI=1S/C26H29IN2O8/c1-34-14-24(31)29(13-16-6-7-21-22(10-16)36-15-35-21)19-11-17(26(33)28-8-9-30)12-23(25(19)32)37-20-5-3-2-4-18(20)27/h2-7,10,12,19,23,25,30,32H,8-9,11,13-15H2,1H3,(H,28,33)/t19-,23+,25+/m1/s1
SMILES: CN1C(=O)N[C@@H]([C@@H]([C@@]1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CN=CC=C3
InChI: InChI=1S/C16H14F3N3O3S/c1-22-14(24)21-12(9-4-2-6-20-8-9)11(15(22,25)16(17,18)19)13(23)10-5-3-7-26-10/h2-8,11-12,25H,1H3,(H,21,24)/t11-,12-,15+/m1/s1
SMILES: C[C@H](C[C@H](CC(=C)COC(=O)C(C)(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\Br)C
InChI: InChI=1S/C24H39BrO3/c1-16(15-28-22(27)23(3,4)5)12-19(26)13-17(2)20-9-10-21-18(14-25)8-7-11-24(20,21)6/h14,17,19-21,26H,1,7-13,15H2,2-6H3/b18-14+/t17-,19+,20-,21+,24-/m1/s1
SMILES: CC1=CC2=C(C=C[C@]3(O2)CCCC[C@@H]3CC4=CC=CC=C4)C(=O)O1
InChI: InChI=1S/C21H22O3/c1-15-13-19-18(20(22)23-15)10-12-21(24-19)11-6-5-9-17(21)14-16-7-3-2-4-8-16/h2-4,7-8,10,12-13,17H,5-6,9,11,14H2,1H3/t17-,21-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N.C1CC(NC1=O)(C(=O)[O-])C(=O)[O-].[Pt+2]
InChI: InChI=1S/C6H14N2.C6H7NO5.Pt/c7-5-3-1-2-4-6(5)8;8-3-1-2-6(7-3,4(9)10)5(11)12;/h5-6H,1-4,7-8H2;1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+2/p-2/t5-,6-;;/m1../s1
SMILES: CC(C)N(C(C)C)C(=O)O/C=C\[C@H]1[C@H](CN([C@@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CC4=CC=CC=C4)C(=C)C
InChI: InChI=1S/C40H54N2O3Si/c1-30(2)37-28-41(27-33-19-13-10-14-20-33)38(36(37)25-26-44-39(43)42(31(3)4)32(5)6)29-45-46(40(7,8)9,34-21-15-11-16-22-34)35-23-17-12-18-24-35/h10-26,31-32,36-38H,1,27-29H2,2-9H3/b26-25-/t36-,37+,38+/m0/s1
SMILES: C1[C@H]([C@]2([C@@]([C@H]1O)(C3=CC=CC=C3O2)O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C23H19ClO3/c24-17-12-10-16(11-13-17)23-19(15-6-2-1-3-7-15)14-21(25)22(23,26)18-8-4-5-9-20(18)27-23/h1-13,19,21,25-26H,14H2/t19-,21-,22-,23-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)NC4=CC=CC=C4)C
InChI: InChI=1S/C19H25NO7/c1-18(2)22-10-12(25-18)13-14(15-16(23-13)27-19(3,4)26-15)24-17(21)20-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3,(H,20,21)/t12-,13-,14+,15-,16-/m1/s1
SMILES: CC1=CN(C(=NC1=O)SC)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C
InChI: InChI=1S/C14H21N3O6S/c1-6-4-17(14(24-3)16-12(6)22)13-9(15-7(2)19)11(21)10(20)8(5-18)23-13/h4,8-11,13,18,20-21H,5H2,1-3H3,(H,15,19)/t8-,9-,10-,11-,13-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=CC(=C4)Cl)O)C(=O)N(C3=O)CCC(=O)O)[C@@H]5[C@H]1C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C26H25ClN2O9/c27-11-1-4-17(30)15(9-11)20-12-2-3-13-21(25(37)28(23(13)35)7-5-18(31)32)14(12)10-16-22(20)26(38)29(24(16)36)8-6-19(33)34/h1-2,4,9,13-14,16,20-22,30H,3,5-8,10H2,(H,31,32)(H,33,34)/t13-,14+,16+,20+,21-,22+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\C4=CC(=CC=C4)OC(F)(F)F)/[C@@H]2O)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C27H32F3NO3/c1-25-12-10-23(32)31(3)22(25)8-7-19-20(25)9-11-26(2)21(19)15-17(24(26)33)13-16-5-4-6-18(14-16)34-27(28,29)30/h4-6,10,12-14,19-22,24,33H,7-9,11,15H2,1-3H3/b17-13+/t19-,20+,21+,22-,24+,25-,26+/m1/s1
SMILES: C1CCCCCC(CCCCC1)NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C23H36N2O3/c26-21(24-18-12-8-6-4-2-1-3-5-7-9-13-18)16-17-25-22(27)19-14-10-11-15-20(19)23(25)28/h10-11,18-20H,1-9,12-17H2,(H,24,26)/t19-,20-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N(C(=O)CC23CC4CC(C2)CC(C4)C3)O)N(C(=O)CC56CC7CC(C5)CC(C7)C6)O
InChI: InChI=1S/C30H46N2O4/c33-27(17-29-11-19-5-20(12-29)7-21(6-19)13-29)31(35)25-3-1-2-4-26(25)32(36)28(34)18-30-14-22-8-23(15-30)10-24(9-22)16-30/h19-26,35-36H,1-18H2/t19?,20?,21?,22?,23?,24?,25-,26-,29?,30?/m1/s1
SMILES: CC1([C@@]2([C@H]3CCC[C@H]3[C@]1(N=N2)C4=CC=CC=C4)/C=C\Br)C
InChI: InChI=1S/C18H21BrN2/c1-16(2)17(11-12-19)14-9-6-10-15(14)18(16,21-20-17)13-7-4-3-5-8-13/h3-5,7-8,11-12,14-15H,6,9-10H2,1-2H3/b12-11-/t14-,15+,17-,18+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CN4CCC[C@H]4CO
InChI: InChI=1S/C25H34N2O4/c1-17-23(14-27-12-2-3-22(27)16-29)30-25(21-10-4-18(13-26)5-11-21)31-24(17)20-8-6-19(15-28)7-9-20/h4-11,17,22-25,28-29H,2-3,12-16,26H2,1H3/t17-,22-,23+,24+,25+/m0/s1
SMILES: C/C=C/CO[C@H]1[C@@H]([C@@H]2[C@@H]([C@H]([C@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(O2)(C)C)OCC5=CC=CC=C5
InChI: InChI=1S/C34H40O6/c1-4-5-21-35-28-29(36-22-25-15-9-6-10-16-25)31(38-24-27-19-13-8-14-20-27)33-32(39-34(2,3)40-33)30(28)37-23-26-17-11-7-12-18-26/h4-20,28-33H,21-24H2,1-3H3/b5-4+/t28-,29+,30+,31+,32-,33-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H](C2NC3=NC4=C(C=C3)C(=CC=C4)NC(=O)CC56CC7CC(C5)CC(C7)C6)CO
InChI: InChI=1S/C29H37N3O2/c33-16-23-20-4-5-21(11-20)28(23)32-26-7-6-22-24(30-26)2-1-3-25(22)31-27(34)15-29-12-17-8-18(13-29)10-19(9-17)14-29/h1-3,6-7,17-21,23,28,33H,4-5,8-16H2,(H,30,32)(H,31,34)/t17?,18?,19?,20-,21+,23-,28?,29?/m1/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@@H]([C@H]3C(=O)N1C4=C(C=C(C=C4)C(F)(F)F)Cl)C(=O)O
InChI: InChI=1S/C16H11ClF3NO4/c17-8-5-7(16(18,19)20)1-2-9(8)21-6-15-4-3-10(25-15)11(14(23)24)12(15)13(21)22/h1-5,10-12H,6H2,(H,23,24)/t10-,11-,12-,15-/m0/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)C6CCCCC6)C)C
InChI: InChI=1S/C33H39NO6/c1-18-19(2)30(37)33(3)26(29(18)36)17-25-23(28(33)20-9-11-22(12-10-20)40-16-15-35)13-14-24-27(25)32(39)34(31(24)38)21-7-5-4-6-8-21/h9-13,21,24-28,35H,4-8,14-17H2,1-3H3/t24-,25+,26-,27-,28-,33+/m0/s1
SMILES: CC(C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O)OC3=CC=CC=C3
InChI: InChI=1S/C19H23FN3O9P/c1-11(18(26)29-2)22-33(28,32-12-6-4-3-5-7-12)30-10-15-14(24)8-16(31-15)23-9-13(20)17(25)21-19(23)27/h3-7,9,11,14-16,24H,8,10H2,1-2H3,(H,22,28)(H,21,25,27)/t11?,14-,15+,16+,33?/m0/s1
SMILES: C[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4C[C@@H]([C@]([C@]4(CC3)C)(C#C)O)F
InChI: InChI=1S/C21H25FO2/c1-4-21(24)18(22)11-17-19-12(2)9-13-10-14(23)5-6-15(13)16(19)7-8-20(17,21)3/h1,5-6,10,12,16-19,23-24H,7-9,11H2,2-3H3/t12-,16-,17+,18+,19-,20+,21+/m1/s1
SMILES: C[C@@H]1C=C(C(=O)[C@]([C@@H]1/C(=C/CC(C)C)/C)(C)C(=O)[C@@H](C)COCC2=CC=C(C=C2)OC)C
InChI: InChI=1S/C28H40O4/c1-18(2)9-10-19(3)25-20(4)15-21(5)26(29)28(25,7)27(30)22(6)16-32-17-23-11-13-24(31-8)14-12-23/h10-15,18,20,22,25H,9,16-17H2,1-8H3/b19-10+/t20-,22+,25-,28-/m1/s1
SMILES: CC(C)(C)NC(=O)O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
InChI: InChI=1S/C25H33N3O3/c1-6-16-15-28-12-10-17(16)13-22(28)23(31-24(29)27-25(2,3)4)19-9-11-26-21-8-7-18(30-5)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3,(H,27,29)/t16-,17-,22-,23+/m0/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-/m0/s1
SMILES: C1CNCCN(C1)CCCOC2=CC=C(C=C2)C(=O)[C@@H]3C[C@H]3C4=CC=C(C=C4)Br
InChI: InChI=1S/C24H29BrN2O2/c25-20-7-3-18(4-8-20)22-17-23(22)24(28)19-5-9-21(10-6-19)29-16-2-14-27-13-1-11-26-12-15-27/h3-10,22-23,26H,1-2,11-17H2/t22-,23+/m0/s1
SMILES: C[C@@]1(CCC2C(C1)CC[C@@H]3[C@@]2(CC[C@H](C3)OC(C)(C)C)C)C(=O)OC
InChI: InChI=1S/C22H38O3/c1-20(2,3)25-17-9-12-22(5)16(13-17)8-7-15-14-21(4,19(23)24-6)11-10-18(15)22/h15-18H,7-14H2,1-6H3/t15?,16-,17+,18?,21-,22-/m0/s1
SMILES: C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)C(=O)C3=CC=CC=C3)/C(=O)OC
InChI: InChI=1S/C25H26O5/c1-16(23(27)29-4)13-20-21(25(20,2)3)24(28)30-15-17-9-8-12-19(14-17)22(26)18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/b16-13+/t20-,21+/m1/s1
SMILES: CC(=C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)OC)OC)C
InChI: InChI=1S/C20H21NO4/c1-10(2)16-12-6-7-13(16)18-17(12)19(22)21(20(18)23)14-9-11(24-3)5-8-15(14)25-4/h5-9,12-13,17-18H,1-4H3/t12-,13-,17-,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C17H19F3N2O2/c1-11-6-4-5-9-16(11)14(23)22(15(24)21-16)10-12-7-2-3-8-13(12)17(18,19)20/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,21,24)/t11-,16+/m1/s1
SMILES: C1CN(CCN1)CCCOC2=CC=C(C=C2)C(=O)[C@@H]3C[C@H]3C4=CC=C(C=C4)Br
InChI: InChI=1S/C23H27BrN2O2/c24-19-6-2-17(3-7-19)21-16-22(21)23(27)18-4-8-20(9-5-18)28-15-1-12-26-13-10-25-11-14-26/h2-9,21-22,25H,1,10-16H2/t21-,22+/m0/s1
SMILES: CCOC(=O)C(C(=O)OCC)[C@]1([C@H](N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)N
InChI: InChI=1S/C23H26N2O6/c1-4-30-20(26)18(21(27)31-5-2)23(24)19(15-9-7-6-8-10-15)25(22(23)28)16-11-13-17(29-3)14-12-16/h6-14,18-19H,4-5,24H2,1-3H3/t19-,23-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C=C2[C@H](CC[C@]3([C@]2(CC[C@H]([C@]3(C)C4=CC5=C(N4)C=CC6=C5[C@H]7[C@H](C[C@@H]7C(C)(C)O[Si](C)(C)C)[C@H](C6)CO[Si](C(C)C)(C(C)C)C(C)C)CO)O)C)O[C@@H]1C(=C)C
InChI: InChI=1S/C55H93NO6Si3/c1-19-64(20-2,21-3)61-47-31-43-46(60-51(47)34(4)5)25-26-53(14)54(15,40(32-57)24-27-55(43,53)58)48-30-42-45(56-48)23-22-38-28-39(33-59-65(35(6)7,36(8)9)37(10)11)41-29-44(50(41)49(38)42)52(12,13)62-63(16,17)18/h22-23,30-31,35-37,39-41,44,46-47,50-51,56-58H,4,19-21,24-29,32-33H2,1-3,5-18H3/t39-,40+,41-,44+,46+,47-,50+,51-,53-,54-,55-/m1/s1
SMILES: CC(C)C[C@@H](C1=C(C(=C(C(=C1OC)C(=O)OC)OC)C(=O)OC)OC)[C@]2(CC[C@@H]3[C@@H]2[C@H]4[C@H](C4(C)C)CCC3=C)C
InChI: InChI=1S/C33H48O7/c1-17(2)16-21(33(6)15-14-19-18(3)12-13-20-26(25(19)33)32(20,4)5)22-27(36-7)23(30(34)39-10)29(38-9)24(28(22)37-8)31(35)40-11/h17,19-21,25-26H,3,12-16H2,1-2,4-11H3/t19-,20+,21-,25+,26+,33+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]3[C@@H](CCN3C(=O)OCC4=CC=CC=C4)O)O)C
InChI: InChI=1S/C19H25NO7/c1-19(2)26-16-14(22)15(25-17(16)27-19)13-12(21)8-9-20(13)18(23)24-10-11-6-4-3-5-7-11/h3-7,12-17,21-22H,8-10H2,1-2H3/t12-,13-,14+,15-,16-,17-/m1/s1
SMILES: C1=CC=C(C=C1)CCNC2[C@@H]([C@H](C([C@H]([C@@H]2O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C35H39NO5/c37-31-30(36-22-21-26-13-5-1-6-14-26)32(38)34(40-24-28-17-9-3-10-18-28)35(41-25-29-19-11-4-12-20-29)33(31)39-23-27-15-7-2-8-16-27/h1-20,30-38H,21-25H2/t30?,31-,32+,33+,34-,35?
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N([C@@H]1CBr)CC2=CC=C(C=C2)OC
InChI: InChI=1S/C20H32BrNO3Si/c1-20(2,3)26(5,6)25-18-11-12-19(23)22(17(18)13-21)14-15-7-9-16(24-4)10-8-15/h7-10,17-18H,11-14H2,1-6H3/t17-,18+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)C[C@@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)CO4)Br
InChI: InChI=1S/C19H27BrO3/c1-17-6-5-14-12(13(17)2-3-15(17)22)8-16-19(20)9-11(21)4-7-18(14,19)10-23-16/h11-14,16,21H,2-10H2,1H3/t11-,12+,13+,14+,16+,17-,18-,19-/m0/s1
SMILES: C1=NN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5+,6-,7+/m0/s1
SMILES: C[Si](C)(C)CC#CCO[C@@H]1CCC[C@]([C@H]1Br)(C#N)O[Si](C)(C)C
InChI: InChI=1S/C17H30BrNO2Si2/c1-22(2,3)13-8-7-12-20-15-10-9-11-17(14-19,16(15)18)21-23(4,5)6/h15-16H,9-13H2,1-6H3/t15-,16+,17-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCC2=CN(N=N2)CCCCCCN3C=C(N=N3)CO[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O)O)N)N)O)O)N
InChI: InChI=1S/C24H44N10O6/c25-15-7-17(27)23(21(37)19(15)35)39-11-13-9-33(31-29-13)5-3-1-2-4-6-34-10-14(30-32-34)12-40-24-18(28)8-16(26)20(36)22(24)38/h9-10,15-24,35-38H,1-8,11-12,25-28H2/t15-,16-,17+,18+,19+,20+,21-,22-,23-,24-/m1/s1
SMILES: CCC(=O)N1[C@H]([C@@H]2CC=C[C@@H]2C3=C1C=CC(=C3)Cl)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C25H22ClNO/c1-2-24(28)27-23-14-13-17(26)15-22(23)19-10-6-12-21(19)25(27)20-11-5-8-16-7-3-4-9-18(16)20/h3-11,13-15,19,21,25H,2,12H2,1H3/t19-,21+,25-/m0/s1
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=CN6
InChI: InChI=1S/C21H17N3O3/c1-27-13-2-3-15-11(6-13)7-16(23-15)20(26)24-10-12-9-21(12)14-4-5-22-19(14)17(25)8-18(21)24/h2-8,12,22-23H,9-10H2,1H3/t12-,21-/m1/s1
SMILES: CC1=NC(=CS1)C2=CC3=C(CN(C3)C(=O)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C7CC7)C=C2
InChI: InChI=1S/C39H50N6O9S2/c1-23-40-31(22-55-23)24-12-13-25-19-44(20-26(25)16-24)37(50)53-28-17-32-33(46)42-39(35(48)43-56(51,52)29-14-15-29)18-27(39)10-8-6-5-7-9-11-30(34(47)45(32)21-28)41-36(49)54-38(2,3)4/h8,10,12-13,16,22,27-30,32H,5-7,9,11,14-15,17-21H2,1-4H3,(H,41,49)(H,42,46)(H,43,48)/b10-8-/t27-,28-,30+,32+,39-/m1/s1
SMILES: C[C@]12CC[C@H](C(C1CC[C@@]3([C@@H]2CCC4[C@]3(CC[C@@]4([C@@]5(CCC(=O)O5)C)O)C)C)(C)C)O
InChI: InChI=1S/C27H44O4/c1-22(2)17-9-13-24(4)18(23(17,3)12-10-20(22)28)7-8-19-25(24,5)15-16-27(19,30)26(6)14-11-21(29)31-26/h17-20,28,30H,7-16H2,1-6H3/t17?,18-,19?,20-,23+,24-,25-,26+,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3CCOC(=O)CCl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H45ClO21/c1-17(39)49-15-26-30(52-20(4)42)32(54-22(6)44)34(36(56-26)55-23(7)45)59-37-33(58-35(47)25-11-9-8-10-24(25)12-13-48-28(46)14-38)31(53-21(5)43)29(51-19(3)41)27(57-37)16-50-18(2)40/h8-11,26-27,29-34,36-37H,12-16H2,1-7H3/t26-,27-,29-,30-,31+,32+,33-,34-,36+,37+/m1/s1
SMILES: C1[C@H]2[C@@H](C3=C(CC4=CC=CC=C24)C=CC(=C3)F)OC1(CBr)O
InChI: InChI=1S/C18H16BrFO2/c19-10-18(21)9-16-14-4-2-1-3-11(14)7-12-5-6-13(20)8-15(12)17(16)22-18/h1-6,8,16-17,21H,7,9-10H2/t16-,17-,18?/m1/s1
SMILES: CN1CCC23C14C[C@@H](C5=C2C(=C(C=C5)OC)O)O[C@]4([C@H](C(C3)O)OC)O
InChI: InChI=1S/C19H25NO6/c1-20-7-6-17-8-11(21)16(25-3)19(23)18(17,20)9-13(26-19)10-4-5-12(24-2)15(22)14(10)17/h4-5,11,13,16,21-23H,6-9H2,1-3H3/t11?,13-,16-,17?,18?,19-/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C(C)(C)C
InChI: InChI=1S/C28H36O7S/c1-6-36-26-24(35-27(30)28(2,3)4)22(33-18-20-15-11-8-12-16-20)21(23(34-26)25(29)31-5)32-17-19-13-9-7-10-14-19/h7-16,21-24,26H,6,17-18H2,1-5H3/t21-,22-,23-,24+,26-/m0/s1
SMILES: CC(C)(C)O[C@@H]1C=C[C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C16H32O4Si/c1-15(2,3)20-14-10-9-12(17)13(19-14)11-18-21(7,8)16(4,5)6/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14+/m0/s1
SMILES: CC[C@](CCCO)(CCO)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C
InChI: InChI=1S/C25H40O4/c1-5-25(15-17-27,14-9-16-26)23(28)29-22-18-19(2)12-13-21(22)24(3,4)20-10-7-6-8-11-20/h6-8,10-11,19,21-22,26-27H,5,9,12-18H2,1-4H3/t19-,21-,22-,25+/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN(C)CC=C
InChI: InChI=1S/C35H43N3O6/c1-5-19-38(3)22-31-24(2)32(28-15-13-27(23-39)14-16-28)44-34(43-31)29-17-11-26(12-18-29)21-36-35(41)37-30(33(40)42-4)20-25-9-7-6-8-10-25/h5-18,24,30-32,34,39H,1,19-23H2,2-4H3,(H2,36,37,41)/t24-,30-,31+,32+,34+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3C(=O)CCC=C3NC4=NC(=NN24)C5=CC=CC=C5)O
InChI: InChI=1S/C23H22N4O3/c1-2-30-19-13-15(11-12-17(19)28)21-20-16(9-6-10-18(20)29)24-23-25-22(26-27(21)23)14-7-4-3-5-8-14/h3-5,7-9,11-13,20-21,28H,2,6,10H2,1H3,(H,24,25,26)/t20-,21-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C24H29N7O3/c1-29(2)17-9-5-15(6-10-17)23-26-27-28-31(23)20-14-34-21-19(13-33-22(20)21)25-24(32)16-7-11-18(12-8-16)30(3)4/h5-12,19-22H,13-14H2,1-4H3,(H,25,32)/t19-,20-,21+,22+/m0/s1
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C(=O)O)C=C4
InChI: InChI=1S/C18H19NO3/c20-17(15-12-4-5-13(8-12)16(15)18(21)22)19-14-7-6-10-2-1-3-11(10)9-14/h4-7,9,12-13,15-16H,1-3,8H2,(H,19,20)(H,21,22)/t12-,13+,15+,16-/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=CC(=C5)Cl)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C23H17BrClNO5/c1-26-22(30)11-4-3-10-12(19(11)23(26)31)7-14-20(17(28)8-15(24)21(14)29)18(10)13-6-9(25)2-5-16(13)27/h2-3,5-6,8,11-12,18-19,27H,4,7H2,1H3/t11-,12+,18+,19-/m0/s1
SMILES: C[C@@H]1[C@H](N(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=C(C5=C(C=CC=N5)C=C4)O
InChI: InChI=1S/C26H23N3O/c1-17-10-12-20(13-11-17)23-18(2)25(29(28-23)21-8-4-3-5-9-21)22-15-14-19-7-6-16-27-24(19)26(22)30/h3-16,18,25,30H,1-2H3/t18-,25-/m0/s1
SMILES: C[C@@H](C(=O)C1=CC(=CC=C1)Cl)OC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C18H17ClO5/c1-8(16(20)9-3-2-4-11(19)5-9)23-17(21)14-10-6-12-13(7-10)24-18(22)15(12)14/h2-5,8,10,12-15H,6-7H2,1H3/t8-,10+,12-,13+,14+,15-/m0/s1
SMILES: COC1=CC=CC=C1CCNC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C22H26N2O6/c1-29-18-9-5-2-6-15(18)10-12-23-19(25)14-30-20(26)11-13-24-21(27)16-7-3-4-8-17(16)22(24)28/h2-6,9,16-17H,7-8,10-14H2,1H3,(H,23,25)/t16-,17-/m1/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)O)C)C)O
InChI: InChI=1S/C49H53NO5/c1-4-55-47(53)50(32-38-19-12-18-36-17-8-9-20-40(36)38)33-49(54)29-27-45-42-26-24-35(30-39(51)25-23-34(2)14-13-28-48(45,49)3)31-44(42)46(52)43-22-11-10-21-41(43)37-15-6-5-7-16-37/h5-12,14-22,24,26,31,39,45,51,54H,4,13,23,25,27-30,32-33H2,1-3H3/t39-,45-,48-,49+/m0/s1
SMILES: CCCCN1CN([C@@H]([C@@H](CN1S(=O)(=O)C2=CC=CC(=C2)OC)O)CC3=CC=CC=C3)CC4=CC(=CC=C4)/C(=N\O)/N
InChI: InChI=1S/C30H39N5O5S/c1-3-4-16-34-22-33(20-24-12-8-13-25(17-24)30(31)32-37)28(18-23-10-6-5-7-11-23)29(36)21-35(34)41(38,39)27-15-9-14-26(19-27)40-2/h5-15,17,19,28-29,36-37H,3-4,16,18,20-22H2,1-2H3,(H2,31,32)/t28-,29-/m1/s1
SMILES: CCOC(=O)[C@]1(C=C2C(=C3[C@]1(C(=CC=C3O)O)C(=O)OC)[C@@H]4[C@H](O2)OC5(O4)CCCCC5)C
InChI: InChI=1S/C24H28O9/c1-4-30-20(27)22(2)12-14-16(17-13(25)8-9-15(26)24(17,22)21(28)29-3)18-19(31-14)33-23(32-18)10-6-5-7-11-23/h8-9,12,18-19,25-26H,4-7,10-11H2,1-3H3/t18-,19-,22-,24-/m1/s1
SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=C(C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC
InChI: InChI=1S/C23H24O12/c1-31-14-7-11(26)16-10(25)6-13(33-22(16)21(14)32-2)9-4-3-5-12(17(9)27)34-23-20(30)19(29)18(28)15(8-24)35-23/h3-7,15,18-20,23-24,26-30H,8H2,1-2H3/t15-,18-,19+,20-,23-/m1/s1