EdisonScientific/glyph-datasets huggingface dataset:
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)CCCCCNC(=O)C)CN4[C@@H]5CCCC[C@@H]5CC[C@@H]4C(=O)NC(C)(C)C
InChI: InChI=1S/C41H60N4O6/c1-27-36(25-45-34-15-9-8-12-30(34)21-22-35(45)39(49)44-41(3,4)5)50-40(51-38(27)31-19-17-29(26-46)18-20-31)32-13-11-14-33(24-32)43-37(48)16-7-6-10-23-42-28(2)47/h11,13-14,17-20,24,27,30,34-36,38,40,46H,6-10,12,15-16,21-23,25-26H2,1-5H3,(H,42,47)(H,43,48)(H,44,49)/t27-,30+,34+,35+,36+,38+,40+/m0/s1
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1[C@@H](O1)CCCC(=O)OC
InChI: InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3/b8-7-,11-10-,13-12+,16-14+/t19-,20+/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)N(C(=S)N2)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI: InChI=1S/C12H10ClF3N2O2S2/c13-7-2-1-6(12(14,15)16)3-9(7)18-10-5-22(19,20)4-8(10)17-11(18)21/h1-3,8,10H,4-5H2,(H,17,21)/t8-,10+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C(C)C
InChI: InChI=1S/C21H26N2O5/c1-12(2)14-9-8-13(3)10-17(14)28-18(24)11-27-21(26)19-15-6-4-5-7-16(15)20(25)23-22-19/h4-7,12-14,17H,8-11H2,1-3H3,(H,23,25)/t13-,14-,17-/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CNCCC5=CNC6=CC=CC=C65)CO3
InChI: InChI=1S/C25H32N2O3/c1-24-8-4-9-25(15-29-25)22(24)11-18-19(23(28)30-21(18)12-24)14-26-10-7-16-13-27-20-6-3-2-5-17(16)20/h2-3,5-6,13,18-19,21-22,26-27H,4,7-12,14-15H2,1H3/t18-,19-,21-,22-,24-,25+/m1/s1
SMILES: CC[C@@H](C[C@H](C)[C@H]1[C@H]([C@@H](OC(O1)(C)C)[C@@H](C)C=O)C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C33H50O4Si/c1-10-27(21-24(2)30-26(4)31(25(3)22-34)37-33(8,9)36-30)23-35-38(32(5,6)7,28-17-13-11-14-18-28)29-19-15-12-16-20-29/h11-20,22,24-27,30-31H,10,21,23H2,1-9H3/t24-,25-,26+,27-,30-,31-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)NCCC(=O)O
InChI: InChI=1S/C13H17N5O6/c19-3-6-9(22)10(23)13(24-6)18-5-17-8-11(14-2-1-7(20)21)15-4-16-12(8)18/h4-6,9-10,13,19,22-23H,1-3H2,(H,20,21)(H,14,15,16)/t6-,9+,10-,13-/m0/s1
SMILES: C\1[C@@H]([C@@H]([C@H](/C1=N\O)/C=C/[C@H](CNC2=C(C=C(C=C2)F)F)O)C/C=C/CCCC(=O)O)O
InChI: InChI=1S/C22H28F2N2O5/c23-14-7-10-19(18(24)11-14)25-13-15(27)8-9-16-17(21(28)12-20(16)26-31)5-3-1-2-4-6-22(29)30/h1,3,7-11,15-17,21,25,27-28,31H,2,4-6,12-13H2,(H,29,30)/b3-1+,9-8+,26-20-/t15-,16-,17-,21+/m1/s1
SMILES: COC1=C2C3=C(CC4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C7=C(C5)C8=CC=CC=C8N7)NCCCF)C=C1
InChI: InChI=1S/C30H34FN3O2/c1-35-23-10-9-19-15-24-30(32-13-4-12-31)16-21-20-5-2-3-6-22(20)33-26(21)28-29(30,25(19)27(23)36-28)11-14-34(24)17-18-7-8-18/h2-3,5-6,9-10,18,24,28,32-33H,4,7-8,11-17H2,1H3/t24?,28-,29-,30+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCCCCC(=O)NC2=CC=CC=C2N)C3=CC4=C(C=C3)OCO4)CCOCCOCCO
InChI: InChI=1S/C32H43N3O9/c1-2-41-32-23(12-15-39-17-18-40-16-14-36)24(22-10-11-27-28(19-22)43-21-42-27)20-29(44-32)31(38)34-13-6-5-9-30(37)35-26-8-4-3-7-25(26)33/h3-4,7-8,10-11,19-20,23-24,32,36H,2,5-6,9,12-18,21,33H2,1H3,(H,34,38)(H,35,37)/t23-,24+,32+/m1/s1
SMILES: CO[C@H]1[C@@H]2CCN([C@@H]2C3=C(N1CC4=CC=CC=C4)C=CC(=C3)Br)CC5=CC=CC=C5
InChI: InChI=1S/C26H27BrN2O/c1-30-26-22-14-15-28(17-19-8-4-2-5-9-19)25(22)23-16-21(27)12-13-24(23)29(26)18-20-10-6-3-7-11-20/h2-13,16,22,25-26H,14-15,17-18H2,1H3/t22-,25+,26+/m1/s1
SMILES: C1C[C@@H]2[C@@H]3C(=[N+]([C@@]2(C1)[NH+]4CCOCC4)[O-])CCC5=NON=C35
InChI: InChI=1S/C15H20N4O3/c20-19-12-4-3-11-14(17-22-16-11)13(12)10-2-1-5-15(10,19)18-6-8-21-9-7-18/h10,13H,1-9H2/p+1/t10-,13-,15-/m1/s1
SMILES: CCOC(=O)C1=C2[C@@H]3[C@@H](N3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CN2C7=C1C(=CC(=C7)CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChI: InChI=1S/C44H52N2O4Si/c1-9-49-43(47)40-39-36(25-32(26-38(39)48-8)28-50-51(29(2)3,30(4)5)31(6)7)45-27-37-41(42(40)45)46(37)44(33-19-13-10-14-20-33,34-21-15-11-16-22-34)35-23-17-12-18-24-35/h10-26,29-31,37,41H,9,27-28H2,1-8H3/t37-,41-,46?/m0/s1
SMILES: CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3
InChI: InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/p-1/t14-,16+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3C[C@@](NC2=O)(OC4=CC=CC=C34)C
InChI: InChI=1S/C22H22N2O5/c1-3-28-21(27)13-8-10-14(11-9-13)23-19(25)18-16-12-22(2,24-20(18)26)29-17-7-5-4-6-15(16)17/h4-11,16,18H,3,12H2,1-2H3,(H,23,25)(H,24,26)/t16-,18+,22-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC1=CC=CC=C1)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)CCC(=O)C)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C67H104O18P2/c1-4-6-8-10-12-14-16-18-20-22-24-26-37-45-59(69)77-52-58(82-60(70)46-38-27-25-23-21-19-17-15-13-11-9-7-5-2)53-81-87(76,80-51-57-43-35-30-36-44-57)84-65-62(72)63(73)66(83-61(71)48-47-54(3)68)67(64(65)74)85-86(75,78-49-55-39-31-28-32-40-55)79-50-56-41-33-29-34-42-56/h28-36,39-44,58,62-67,72-74H,4-27,37-38,45-53H2,1-3H3/t58-,62-,63+,64+,65-,66-,67-,87?/m1/s1
SMILES: C[C@H]1C[C@]([C@@H](CN1C(C)C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C23H29NO2/c1-17(2)24-16-18(3)23(15-19(24)4,21-13-9-6-10-14-21)26-22(25)20-11-7-5-8-12-20/h5-14,17-19H,15-16H2,1-4H3/t18-,19+,23+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H20N2O5/c23-18(11-22-19(24)15-8-4-5-9-16(15)20(22)25)26-12-14-10-17(27-21-14)13-6-2-1-3-7-13/h1-3,6-7,10,15-16H,4-5,8-9,11-12H2/t15-,16-/m1/s1
SMILES: CC(=O)OC1C([C@H]([C@]2([C@@]1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC(=C(C=C4)OC)O)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C30H30O10/c1-16(31)39-27-24(28(33)38-5)25(17-9-7-6-8-10-17)30(18-11-12-21(36-3)20(32)13-18)29(27,34)26-22(37-4)14-19(35-2)15-23(26)40-30/h6-15,24-25,27,32,34H,1-5H3/t24?,25-,27?,29+,30+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCC2=CC=CC=C2)/[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)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C37H60N2O10/c1-12-28-37(8,44)32(42)23(4)29(38-46-20-26-16-14-13-15-17-26)21(2)19-36(7,45-11)33(24(5)30(40)25(6)34(43)48-28)49-35-31(41)27(39(9)10)18-22(3)47-35/h13-17,21-25,27-28,31-33,35,41-42,44H,12,18-20H2,1-11H3/b38-29-/t21-,22-,23+,24+,25-,27+,28-,31-,32-,33-,35+,36-,37-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=CC(=C(C=C2)F)F
InChI: InChI=1S/C16H21F2NOS/c1-10-4-3-5-15(11(10)2)19-16(20)9-21-12-6-7-13(17)14(18)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,15+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C)C
InChI: InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,20-,21-/m0/s1
SMILES: CC(=O)O[C@]1(CC[C@H]2[C@@]1(CC=C3[C@@H]2CCC(=O)[C@@]4([C@@]3(CCC4=O)C)C)C)C
InChI: InChI=1S/C23H32O4/c1-14(24)27-22(4)13-9-16-15-6-7-18(25)23(5)19(26)10-12-21(23,3)17(15)8-11-20(16,22)2/h8,15-16H,6-7,9-13H2,1-5H3/t15-,16-,20+,21-,22+,23+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N[C@@H]2CCCC[C@H]2C)OCC(=O)O
InChI: InChI=1S/C21H26N2O5/c1-3-27-19-11-15(8-9-18(19)28-13-20(24)25)10-16(12-22)21(26)23-17-7-5-4-6-14(17)2/h8-11,14,17H,3-7,13H2,1-2H3,(H,23,26)(H,24,25)/b16-10+/t14-,17-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=CO2
InChI: InChI=1S/C16H23NO4/c1-10-6-4-7-13(11(10)2)17-15(18)12(3)21-16(19)14-8-5-9-20-14/h5,8-13H,4,6-7H2,1-3H3,(H,17,18)/t10-,11+,12+,13-/m0/s1
SMILES: C[NH+]1CCC2=C[C@H]([C@H]3[C@H]([C@H]21)C4=CC5=C(C=C4C(=O)O3)OCO5)O
InChI: InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/p+1/t11-,14+,15+,16+/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCC[C@H]6COC
InChI: InChI=1S/C37H43N3O8/c1-24-32(20-39-17-7-12-30(39)23-45-2)47-36(48-34(24)27-15-13-25(21-41)14-16-27)28-10-6-11-29(18-28)40-33(42)19-31(35(40)43)38-37(44)46-22-26-8-4-3-5-9-26/h3-6,8-11,13-16,18,24,30-32,34,36,41H,7,12,17,19-23H2,1-2H3,(H,38,44)/t24-,30-,31?,32+,34+,36+/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@H]([C@H]1Br)[C@@H]2Br)C4=CC=CC=C34
InChI: InChI=1S/C13H12Br2/c14-9-5-8-10-6-3-1-2-4-7(6)11(10)12(9)13(8)15/h1-4,8-13H,5H2/t8-,9+,10-,11-,12+,13-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=CN=C5)C)(C#C)O
InChI: InChI=1S/C26H36N2O2/c1-4-26(30)12-11-24(2)18(15-26)5-6-19-20-7-8-22(25(20,3)10-9-21(19)24)23(29)16-28-14-13-27-17-28/h1,13-14,17-22,30H,5-12,15-16H2,2-3H3/t18-,19+,20+,21+,22-,24+,25+,26-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@H](C(O1)C2(C3=NC(=CC4=C(C=C(N4)C=C5C(C(=O)C(=N5)C=C6C=C(C(=C3)N6)C)(C)C7[C@H](C[C@H]([C@@H](O7)C)O)OC(=O)C)C)C2=O)C)O)O
InChI: InChI=1S/C38H44N4O9/c1-16-9-22-11-31-38(7,36-30(51-20(5)43)15-28(45)19(4)50-36)33(47)25(41-31)10-21-8-17(2)24(39-21)13-32-37(6,34(48)26(42-32)12-23(16)40-22)35-29(46)14-27(44)18(3)49-35/h8-13,18-19,27-30,35-36,39-40,44-46H,14-15H2,1-7H3/t18-,19+,27+,28-,29-,30+,35?,36?,37?,38?/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C
InChI: InChI=1S/C18H27N3O3S2/c1-12-5-4-6-16(13(12)2)19-18(25)21-20-17(22)15-9-7-14(8-10-15)11-26(3,23)24/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,20,22)(H2,19,21,25)/t12-,13+,16-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@]3([C@@]2(C3CO)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C21H20O/c22-14-19-20(15-7-3-1-4-8-15)17-11-12-18(13-17)21(19,20)16-9-5-2-6-10-16/h1-12,17-19,22H,13-14H2/t17-,18+,19?,20-,21+
SMILES: CCOC(=O)C1(C[C@H]([C@@H](C1)/C=C/C[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C[Si](C)(C)C)C(=O)OCC
InChI: InChI=1S/C20H33O4Si.3C6H5.Sn/c1-7-11-16-14-20(18(21)23-8-2,19(22)24-9-3)15-17(16)12-10-13-25(4,5)6;3*1-2-4-6-5-3-1;/h7,10-12,16-17H,1,8-9,13-15H2,2-6H3;3*1-5H;/b11-7+,12-10+;;;;/t16-,17-;;;;/m1..../s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC([C@@H]5C(=O)C)C6=C(C=CC(=C6)OC)OC)C)C)O)O)O
InChI: InChI=1S/C35H50O8/c1-18(36)29-25(24-16-21(40-5)8-10-28(24)41-6)17-27-23-9-7-20-15-22(43-33-32(39)31(38)30(37)19(2)42-33)11-13-34(20,3)26(23)12-14-35(27,29)4/h7-8,10,16,19,22-23,25-27,29-33,37-39H,9,11-15,17H2,1-6H3/t19-,22-,23+,25?,26-,27-,29-,30+,31+,32-,33+,34-,35-/m0/s1
SMILES: CC(C)[C@@H]1[C@@H]2CC=C[C@H]2C3=C(N1)C=CC(=C3)C(=O)O
InChI: InChI=1S/C16H19NO2/c1-9(2)15-12-5-3-4-11(12)13-8-10(16(18)19)6-7-14(13)17-15/h3-4,6-9,11-12,15,17H,5H2,1-2H3,(H,18,19)/t11-,12-,15-/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)NN=C3C(=O)C4=C(C=CC(=N4)Cl)Cl
InChI: InChI=1S/C17H10Cl2N4O3/c18-9-6-7-10(19)20-12(9)15(24)13-11-14(22-21-13)17(26)23(16(11)25)8-4-2-1-3-5-8/h1-7,11,14,22H/t11-,14-/m1/s1
SMILES: CCCCC#CC1=C2C(=NC(=N1)C#CCCCC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H34N4O7/c1-6-8-10-12-14-21-24-27(31-23(30-21)15-13-11-9-7-2)32(17-29-24)28-26(38-20(5)35)25(37-19(4)34)22(39-28)16-36-18(3)33/h17,22,25-26,28H,6-11,16H2,1-5H3/t22-,25-,26-,28-/m1/s1
SMILES: CCC(=O)OC1=C(C=C2CC[C@H]3[C@@H]4CCC([C@]4(CCC3C2=C1)C)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)O
InChI: InChI=1S/C35H51F5O5S/c1-3-32(42)45-31-23-28-24(22-30(31)41)13-15-27-26(28)17-19-33(2)25(14-16-29(27)33)12-9-7-5-4-6-8-10-20-46(43,44)21-11-18-34(36,37)35(38,39)40/h22-23,25-27,29,41H,3-21H2,1-2H3/t25?,26?,27-,29+,33-/m1/s1
SMILES: CO[C@]12CC3=C(C[C@@H]4[C@]3(CCCC4)C(Cl)Cl)C[C@H]1C2(Cl)Cl
InChI: InChI=1S/C16H20Cl4O/c1-21-15-8-11-9(7-12(15)16(15,19)20)6-10-4-2-3-5-14(10,11)13(17)18/h10,12-13H,2-8H2,1H3/t10-,12-,14+,15-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F
InChI: InChI=1S/C18H19ClF3N3O3/c1-10-5-2-3-8-17(10)15(27)25(16(28)24-17)9-13(26)23-14-11(18(20,21)22)6-4-7-12(14)19/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,23,26)(H,24,28)/t10-,17-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2CC=C([C@@H]([C@@]2(C1=O)Br)C3=CC(=C(C(=C3)Cl)O)OC)C=C
InChI: InChI=1S/C20H18BrClO4/c1-4-11-5-6-13-15(23)7-10(2)19(25)20(13,21)17(11)12-8-14(22)18(24)16(9-12)26-3/h4-5,7-9,13,17,24H,1,6H2,2-3H3/t13-,17+,20-/m0/s1
SMILES: CCOC(=O)CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C28H46F2N4O7/c1-10-40-18(35)11-12-31-22(36)16(13-17(29)30)32-23(37)20-19-15(28(19,8)9)14-34(20)24(38)21(26(2,3)4)33-25(39)41-27(5,6)7/h15-17,19-21H,10-14H2,1-9H3,(H,31,36)(H,32,37)(H,33,39)/t15-,16-,19-,20-,21+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCCN2C3=CC=CC=C3OC2=O
InChI: InChI=1S/C20H28N4O3S/c1-13-7-5-8-15(14(13)2)21-19(28)23-22-18(25)11-6-12-24-16-9-3-4-10-17(16)27-20(24)26/h3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,22,25)(H2,21,23,28)/t13-,14-,15+/m1/s1
SMILES: C[C@@]12CC=C3[C@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(O4)CCC6(C5)OCC(CO6)(C)C
InChI: InChI=1S/C23H32O4/c1-19(2)13-25-22(26-14-19)10-11-23-17-7-8-20(3)16(4-5-18(20)24)15(17)6-9-21(23,12-22)27-23/h7,15-16H,4-6,8-14H2,1-3H3/t15-,16-,20+,21+,23+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]([C@H]2[C@@H]([C@H]([C@@H](O2)O)OCOC)[C@@H](C3=CC=CO3)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C27H40O11SSi/c1-17-11-13-18(14-12-17)39(30,31)37-24(25(28)33-6)22-20(23(26(29)36-22)35-16-32-5)21(19-10-9-15-34-19)38-40(7,8)27(2,3)4/h9-15,20-24,26,29H,16H2,1-8H3/t20-,21+,22+,23+,24+,26+/m0/s1
SMILES: CN1C[C@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21-,23-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N4CCCN4[C@@H]3C2=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H22ClN3O2/c1-2-14-4-10-17(11-5-14)26-21(27)18-19(15-6-8-16(23)9-7-15)24-12-3-13-25(24)20(18)22(26)28/h4-11,18-20H,2-3,12-13H2,1H3/t18-,19-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C2=CC(=C(C(=C2)OC3=C(C=C(C=C3)[C@H]([C@H](NC(=O)[C@H](NC1=O)C4=CC(=C(C=C4)OC)Br)C(=O)OC)O[Si](C)(C)C(C)(C)C)N)OC)O
InChI: InChI=1S/C39H51BrN4O11Si/c1-38(2,3)54-37(49)44-30-22-18-25(45)33(51-8)28(19-22)53-27-15-13-21(17-24(27)41)32(55-56(10,11)39(4,5)6)31(36(48)52-9)43-34(46)29(42-35(30)47)20-12-14-26(50-7)23(40)16-20/h12-19,29-32,45H,41H2,1-11H3,(H,42,47)(H,43,46)(H,44,49)/t29-,30-,31+,32-/m1/s1
SMILES: CC(C)OC(=O)C1(C[C@@H]2CNC[C@H]2C3=C1NC4=CC=CC=C43)C(=O)OC(C)C
InChI: InChI=1S/C22H28N2O4/c1-12(2)27-20(25)22(21(26)28-13(3)4)9-14-10-23-11-16(14)18-15-7-5-6-8-17(15)24-19(18)22/h5-8,12-14,16,23-24H,9-11H2,1-4H3/t14-,16-/m1/s1
SMILES: CCCC1(CCC(N(CC1)C(=O)OCC2=C(OC(=O)O2)C)C(=O)NC([C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)SC)O)O)O)C(C)Cl)F
InChI: InChI=1S/C25H38ClFN2O10S/c1-5-7-25(27)8-6-14(29(10-9-25)23(34)36-11-15-13(3)37-24(35)38-15)21(33)28-16(12(2)26)20-18(31)17(30)19(32)22(39-20)40-4/h12,14,16-20,22,30-32H,5-11H2,1-4H3,(H,28,33)/t12?,14?,16?,17-,18+,19+,20+,22+,25?/m0/s1
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@@H]([C@@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O
InChI: InChI=1S/C36H36O19/c37-12-22-26(43)29(46)31(48)35(53-22)51-17-10-20(41)25-21(11-17)52-33(15-4-7-18(39)19(40)9-15)34(28(25)45)55-36-32(49)30(47)27(44)23(54-36)13-50-24(42)8-3-14-1-5-16(38)6-2-14/h1-11,22-23,26-27,29-32,35-41,43-44,46-49H,12-13H2/b8-3+/t22-,23-,26+,27+,29+,30+,31+,32+,35+,36-/m0/s1
SMILES: C[C@H](CCC(C)C(C)C)[C@H]1CC=C2[C@@]1(CC[C@@]34[C@]25CC[C@@]6([C@@]3(CC[C@@H](C6)OC(=O)C)C)OC(O5)(O4)C)C
InChI: InChI=1S/C32H50O5/c1-20(2)21(3)9-10-22(4)25-11-12-26-27(25,6)15-18-32-28(7)14-13-24(34-23(5)33)19-30(28)16-17-31(26,32)36-29(8,35-30)37-32/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21?,22-,24+,25-,27-,28+,29?,30-,31+,32+/m1/s1
SMILES: C[C@]12CC3=C(C=C1CCC4C2=CC[C@H]([C@@H]4C(=O)NC5=CC(=CC=C5)O)C(F)(F)F)N(N=C3)C6=CC=C(C=C6)F
InChI: InChI=1S/C30H27F4N3O2/c1-29-15-17-16-35-37(21-8-6-19(31)7-9-21)26(17)13-18(29)5-10-23-24(29)11-12-25(30(32,33)34)27(23)28(39)36-20-3-2-4-22(38)14-20/h2-4,6-9,11,13-14,16,23,25,27,38H,5,10,12,15H2,1H3,(H,36,39)/t23?,25-,27-,29+/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC(=O)N(C=C2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)N=[C])C
InChI: InChI=1S/C31H47N3O8SSi2/c1-18(2)44(19(3)4)38-17-25-28(41-45(42-44,20(5)6)21(7)8)27(32-12)30(39-25)34-14-13-26(33-31(34)35)40-43(36,37)29-23(10)15-22(9)16-24(29)11/h13-16,18-21,25,27-28,30H,17H2,1-11H3/t25-,27+,28-,30-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](O[C@@H]2[C@]1(C(=O)OC2)COCC3=CC=CC=C3)CO
InChI: InChI=1S/C22H34O6Si/c1-21(2,3)29(4,5)28-18-11-17(12-23)27-19-14-26-20(24)22(18,19)15-25-13-16-9-7-6-8-10-16/h6-10,17-19,23H,11-15H2,1-5H3/t17-,18+,19-,22-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@@]3([C@@H]([C@H]2OC1=O)C(=CCC3=O)C)C
InChI: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,9-10,12-13H,5-7H2,1-3H3/t9-,10-,12+,13-,15-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H22O4/c1-3-26-22(24)21-19(16-9-11-18(25-2)12-10-16)13-17(14-20(21)23)15-7-5-4-6-8-15/h4-12,14,19,21H,3,13H2,1-2H3/t19-,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[14C](=O)OC)CCC4=CC(=O)CC[C@]34C
InChI: InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1/i19+2
SMILES: C[C@H](CCCC(=O)C(C)(C)C1=CC=CC=C1)C2=CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@@H](C[C@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C46H74O3Si2/c1-33(21-19-25-42(47)45(9,10)37-23-17-16-18-24-37)39-28-29-40-35(22-20-30-46(39,40)11)26-27-36-31-38(48-50(12,13)43(3,4)5)32-41(34(36)2)49-51(14,15)44(6,7)8/h16-18,23-24,26-28,33,38,40-41H,2,19-22,25,29-32H2,1,3-15H3/b35-26+,36-27-/t33-,38+,40+,41-,46-/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CCC(=O)[O-]
InChI: InChI=1S/C20H22ClN3O5/c1-2-3-8-24-17(27)15-13(6-7-14(25)26)23-20(16(15)18(24)28)11-9-10(21)4-5-12(11)22-19(20)29/h4-5,9,13,15-16,23H,2-3,6-8H2,1H3,(H,22,29)(H,25,26)/t13-,15+,16-,20+/m0/s1
SMILES: CCCCCCO[C@H]1[C@@H](OC(C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@]3(CC(=C(O3)[C@@H]([C@@H](OC(=O)[C@@H]2C)[C@@](C)([C@@H](CC)OCCCCCC)O)C)C)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C
InChI: InChI=1S/C49H89NO12/c1-16-19-21-23-25-55-37(18-3)49(12,53)43-32(6)40-30(4)28-48(11,62-40)42(61-46-39(51)36(50(13)14)27-31(5)57-46)33(7)41(34(8)45(52)60-43)59-38-29-47(10,54-15)44(35(9)58-38)56-26-24-22-20-17-2/h31-39,41-44,46,51,53H,16-29H2,1-15H3/t31-,32+,33+,34-,35+,36+,37-,38?,39-,41+,42-,43-,44+,46?,47-,48-,49-/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O6/c1-27-16-9-5-4-8-15(16)21-17(23)12-28-18(24)10-11-22-19(25)13-6-2-3-7-14(13)20(22)26/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,21,23)/t13-,14-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=C(C=C9)N=NC1=CC=C(C=C1)N(C)C)O
InChI: InChI=1S/C49H44ClN7O5S/c1-25-21-27(7-19-39(25)58)43-33-17-18-34-42(47(61)56(45(34)59)32-15-11-30(12-16-32)52-51-29-9-13-31(14-10-29)54(4)5)36(33)23-37-46(60)57(48(62)49(37,43)3)41-24-38(53-55(41)6)44-26(2)35-22-28(50)8-20-40(35)63-44/h7-17,19-22,24,34,36-37,42-43,58H,18,23H2,1-6H3/t34-,36+,37-,42-,43-,49+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3
InChI: InChI=1S/C19H17N5O2S/c1-2-26-18(25)24-6-5-12-13(8-20)17(23)19(10-21,11-22)16(14(12)9-24)15-4-3-7-27-15/h3-5,7,14,16H,2,6,9,23H2,1H3/t14-,16+/m0/s1
SMILES: CC(=C)C[C@]1([C@@H]([C@H]([C@H]2[C@H](O1)CO[Si](O2)(C(C)(C)C)C(C)(C)C)O)OC(=O)CCCOCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C31H50O8Si/c1-21(2)18-31(9)28(37-25(32)12-11-17-35-19-22-13-15-23(34-10)16-14-22)26(33)27-24(38-31)20-36-40(39-27,29(3,4)5)30(6,7)8/h13-16,24,26-28,33H,1,11-12,17-20H2,2-10H3/t24-,26+,27-,28-,31+/m1/s1
SMILES: C1=CC2=C(C=C1F)C3=C4C(=C5C6=C(C=CC(=C6)F)N(C5=C3N2)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CF)O)O)O)C(=O)NC4=O
InChI: InChI=1S/C26H18F3N3O6/c27-7-14-21(33)22(34)23(35)26(38-14)32-13-4-2-9(29)6-11(13)16-18-17(24(36)31-25(18)37)15-10-5-8(28)1-3-12(10)30-19(15)20(16)32/h1-6,14,21-23,26,30,33-35H,7H2,(H,31,36,37)/t14-,21+,22+,23-,26-/m1/s1
SMILES: CCOC(C)O[C@@H]1C=C2C#C[C@]([C@H](C#CC[C@]2([C@H]1O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC)OS(=O)(=O)C)([C@H]3COC(O3)(C)C)O[Si](CC)(CC)CC
InChI: InChI=1S/C40H72O10SSi3/c1-17-43-31(8)45-33-29-32-26-28-40(35-30-44-38(12,13)46-35,50-54(21-5,22-6)23-7)34(47-51(14,41)42)25-24-27-39(32,49-53(18-2,19-3)20-4)36(33)48-52(15,16)37(9,10)11/h29,31,33-36H,17-23,27,30H2,1-16H3/t31?,33-,34+,35-,36+,39+,40+/m1/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C(=CC=C4)Cl)NC3=O)[NH2+][C@@H]2C(C)C
InChI: InChI=1S/C20H24ClN3O3/c1-4-5-9-24-17(25)13-14(18(24)26)20(23-15(13)10(2)3)11-7-6-8-12(21)16(11)22-19(20)27/h6-8,10,13-15,23H,4-5,9H2,1-3H3,(H,22,27)/p+1/t13-,14-,15+,20+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OCC=C)CCCC4=CC=CC=C4
InChI: InChI=1S/C28H29NO3/c1-3-20-32-25-18-14-23(15-19-25)29-27(22-12-16-24(31-2)17-13-22)26(28(29)30)11-7-10-21-8-5-4-6-9-21/h3-6,8-9,12-19,26-27H,1,7,10-11,20H2,2H3/t26-,27-/m1/s1
SMILES: C[C@@H]1[C@H](C2([C@H](CC1=O)C3=CC=CC=C3)C(=O)NC(=S)NC2=O)C4=CC=CC=C4
InChI: InChI=1S/C22H20N2O3S/c1-13-17(25)12-16(14-8-4-2-5-9-14)22(18(13)15-10-6-3-7-11-15)19(26)23-21(28)24-20(22)27/h2-11,13,16,18H,12H2,1H3,(H2,23,24,26,27,28)/t13-,16+,18-/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)O
InChI: InChI=1S/C22H19N3O5/c26-16(27)11-10-15-17-18(20(29)25(19(17)28)12-6-2-1-3-7-12)22(24-15)13-8-4-5-9-14(13)23-21(22)30/h1-9,15,17-18,24H,10-11H2,(H,23,30)(H,26,27)/t15-,17+,18-,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C
InChI: InChI=1S/C30H35NO4S/c1-30-17-16-22-21-13-11-20(18-19(21)10-12-23(22)26(30)14-15-29(30)32)35-36(33,34)28-9-5-6-24-25(28)7-4-8-27(24)31(2)3/h4-9,11,13,18,22-23,26,29,32H,10,12,14-17H2,1-3H3/t22-,23-,26+,29+,30+/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3[C@H](CC4=CC=CC=C43)C
InChI: InChI=1S/C20H25N3O3/c1-13-7-5-6-10-20(13)18(25)22(19(26)21-20)12-17(24)23-14(2)11-15-8-3-4-9-16(15)23/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,26)/t13-,14-,20+/m0/s1
SMILES: CCC(C(=O)OC)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C
InChI: InChI=1S/C22H32O4/c1-6-17(20(23)25-5)21(24)26-19-14-15(2)12-13-18(19)22(3,4)16-10-8-7-9-11-16/h7-11,15,17-19H,6,12-14H2,1-5H3/t15-,17?,18-,19-/m1/s1
SMILES: C1[C@H]([C@@H]1C2=NNC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C17H15N3S/c21-17-19-18-16(20(17)13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H,19,21)/t14-,15+/m0/s1
SMILES: CC1(OC[C@H]([C@@H](O1)CCO[Si](C)(C)C(C)(C)C)OC(=S)SC)C
InChI: InChI=1S/C16H32O4S2Si/c1-15(2,3)23(7,8)18-10-9-12-13(19-14(21)22-6)11-17-16(4,5)20-12/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
SMILES: C[C@H](CO/N=C\1/[C@H]2CCN3C(=O)N(C(=O)N3[C@H]2[C@@H]([C@H]4[C@@H]1O4)O)C5=CC=CC=C5)[C@@H](C(C)C)OCC6=CC=CC=C6
InChI: InChI=1S/C30H36N4O6/c1-18(2)26(38-17-20-10-6-4-7-11-20)19(3)16-39-31-23-22-14-15-32-29(36)33(21-12-8-5-9-13-21)30(37)34(32)24(22)25(35)28-27(23)40-28/h4-13,18-19,22,24-28,35H,14-17H2,1-3H3/b31-23-/t19-,22-,24-,25+,26-,27-,28+/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(=O)C
InChI: InChI=1S/C16H14ClN3O5/c1-3-25-16(24)12-11-13(20(18-12)8(2)21)15(23)19(14(11)22)10-6-4-9(17)5-7-10/h4-7,11,13H,3H2,1-2H3/t11-,13-/m1/s1
SMILES: CC(=O)NC1=NC(C2=C(N1)N(C=N2)[C@H]3[C@]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)(C(F)F)O)OC(=O)N(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H34F2N6O9/c1-24(49)44-38-45-32-30(33(46-38)57-39(52)48(27-18-10-4-11-19-27)28-20-12-5-13-21-28)43-23-47(32)37-40(53,36(41)42)31(56-35(51)26-16-8-3-9-17-26)29(55-37)22-54-34(50)25-14-6-2-7-15-25/h2-21,23,29,31,33,36-37,53H,22H2,1H3,(H2,44,45,46,49)/t29-,31-,33?,37-,40+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@@](O1)(C)COCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)(C)O
InChI: InChI=1S/C25H34O6/c1-6-22-25(3,26)23(30-16-19-9-13-21(28-5)14-10-19)24(2,31-22)17-29-15-18-7-11-20(27-4)12-8-18/h7-14,22-23,26H,6,15-17H2,1-5H3/t22-,23-,24-,25-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)OC2CCCC[C@H]2C3=CC=CC=C3)OC(=O)C
InChI: InChI=1S/C22H28O6/c1-15(23)25-14-21-20(26-16(2)24)12-13-22(28-21)27-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,12-13,18-22H,6-7,10-11,14H2,1-2H3/t18-,19?,20-,21+,22-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@H]2COC(N2C1=O)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO4/c1-4-21-16(20)14-13(11-8-6-5-7-9-11)12-10-22-17(2,3)18(12)15(14)19/h5-9,12-14H,4,10H2,1-3H3/t12-,13-,14+/m1/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CN(C)[C@@H](C)[C@H](C4=CC=CC=C4)O)O)C
InChI: InChI=1S/C25H35NO4/c1-15-9-8-12-18-13-20-21(23(28)25(15,18)3)19(24(29)30-20)14-26(4)16(2)22(27)17-10-6-5-7-11-17/h5-7,10-12,15-16,19-23,27-28H,8-9,13-14H2,1-4H3/t15-,16+,19+,20-,21-,22-,23-,25-/m1/s1