EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]([C@H]([C@@H]([C@@H](N1CCOCC2=CC=CC=C2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H41NO5/c38-24-33-35(41-27-31-17-9-3-10-18-31)36(42-28-32-19-11-4-12-20-32)34(40-26-30-15-7-2-8-16-30)23-37(33)21-22-39-25-29-13-5-1-6-14-29/h1-20,33-36,38H,21-28H2/t33-,34-,35+,36+/m0/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)[C@H](C)OC(=O)C)CSC4=NN=NN4C5=CC=C(C=C5)O
InChI: InChI=1S/C31H33N5O7S/c1-18-27(17-44-31-33-34-35-36(31)25-11-13-26(39)14-12-25)42-30(43-28(18)22-9-7-21(16-37)8-10-22)23-5-4-6-24(15-23)32-29(40)19(2)41-20(3)38/h4-15,18-19,27-28,30,37,39H,16-17H2,1-3H3,(H,32,40)/t18-,19+,27+,28+,30+/m1/s1
SMILES: CC(C)CC(=O)N1C[C@H]([C@H](N(C(=O)N1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)O
InChI: InChI=1S/C30H33N5O7/c1-21(2)16-29(37)32-20-28(36)27(17-22-6-4-3-5-7-22)31(18-23-8-12-25(13-9-23)34(39)40)30(38)33(32)19-24-10-14-26(15-11-24)35(41)42/h3-15,21,27-28,36H,16-20H2,1-2H3/t27-,28-/m1/s1
SMILES: C[C@@H]1C[C@@H]2CC(=O)C(C[C@@]2(C3C1C4CC[C@]([C@]4(CC3)C)(C(F)(F)F)O)C)CO
InChI: InChI=1S/C22H33F3O3/c1-12-8-14-9-17(27)13(11-26)10-19(14,2)15-4-6-20(3)16(18(12)15)5-7-21(20,28)22(23,24)25/h12-16,18,26,28H,4-11H2,1-3H3/t12-,13?,14-,15?,16?,18?,19+,20+,21+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C)O
InChI: InChI=1S/C54H65NO12Si/c1-37(56)55-46-47(58)48(45(65-52(46)59-6)36-63-68(54(3,4)5,42-28-18-10-19-29-42)43-30-20-11-21-31-43)67-53-51(64-38(2)57)50(62-34-41-26-16-9-17-27-41)49(61-33-40-24-14-8-15-25-40)44(66-53)35-60-32-39-22-12-7-13-23-39/h7-31,44-53,58H,32-36H2,1-6H3,(H,55,56)/t44-,45-,46-,47-,48-,49-,50+,51-,52-,53+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3[C@H](O[C@H]([C@H]3O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CN=[N+]=[N-]
InChI: InChI=1S/C41H43N3O4Si/c1-40(2,3)49(34-25-15-7-16-26-34,35-27-17-8-18-28-35)48-39-36(29-43-44-42)47-37(38(39)45)30-46-41(31-19-9-4-10-20-31,32-21-11-5-12-22-32)33-23-13-6-14-24-33/h4-28,36-39,45H,29-30H2,1-3H3/t36-,37+,38-,39-/m1/s1
SMILES: CCOC(=O)C[C@@H]1[C@H]2C=C[C@H]([C@H]([C@@H]2C(=O)O1)C(=O)OCC)C
InChI: InChI=1S/C16H22O6/c1-4-20-12(17)8-11-10-7-6-9(3)13(15(18)21-5-2)14(10)16(19)22-11/h6-7,9-11,13-14H,4-5,8H2,1-3H3/t9-,10-,11-,13-,14-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C3=CC4=C(C=C3)NC(=O)O4)O
InChI: InChI=1S/C22H24N2O8/c1-10(25)16-14-8-12(11-5-6-13-15(7-11)32-21(29)23-13)17(24(14)18(16)26)19(27)30-9-31-20(28)22(2,3)4/h5-7,10,14,16,25H,8-9H2,1-4H3,(H,23,29)/t10-,14+,16+/m1/s1
SMILES: C[C@H]1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
InChI: InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C7=CC=CC=C7C=C6)O)C(=O)C=C(C5=O)Br)[N+](=O)[O-]
InChI: InChI=1S/C34H25BrN4O9/c1-36(2)30-24(38(45)46)11-16(12-25(30)39(47)48)37-33(43)20-10-9-18-21(28(20)34(37)44)13-22-29(26(40)14-23(35)32(22)42)27(18)19-8-7-15-5-3-4-6-17(15)31(19)41/h3-9,11-12,14,20-21,27-28,41H,10,13H2,1-2H3/t20-,21+,27+,28-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C[C]4[CH][CH][CH][CH]4)O)CCC5=C3C=CC(=C5)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C25H27O2.C5H5.Fe/c1-24-13-11-21-20-9-7-19(26)16-18(20)6-8-22(21)23(24)12-15-25(24,27)14-10-17-4-2-3-5-17;1-2-4-5-3-1;/h2-5,7,9,16,21-23,26-27H,6,8,11-13,15H2,1H3;1-5H;/q;;+2/t21-,22-,23+,24+,25+;;/m1../s1
SMILES: CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
InChI: InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15?,16-,17-,18+,19-,20+,22?/m1/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)N[C@H](CN4C(=O)C5=C(C4=O)C=NC=C5)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCC6=CC=C(C=C6)C(=O)OC)C
InChI: InChI=1S/C44H57F2N7O8/c1-43(2,3)31(23-53-38(56)27-17-18-47-21-28(27)39(53)57)50-42(60)51-34(25-10-8-7-9-11-25)40(58)52-22-29-33(44(29,4)5)35(52)37(55)49-30(20-32(45)46)36(54)48-19-16-24-12-14-26(15-13-24)41(59)61-6/h12-15,17-18,21,25,29-35H,7-11,16,19-20,22-23H2,1-6H3,(H,48,54)(H,49,55)(H2,50,51,60)/t29-,30-,31+,33-,34-,35-/m0/s1
SMILES: CC[C@@H](C)CCCCC[C@@H](C)CCCCCC[C@H](C)O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C34H50O6/c1-5-23(2)13-10-8-11-15-24(3)14-9-6-7-12-16-25(4)39-34-32(38)31-29(37)21-28(36)22-30(31)40-33(34)26-17-19-27(35)20-18-26/h17-25,33-37H,5-16H2,1-4H3/t23-,24+,25+,33-,34+/m1/s1
SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)OC
InChI: InChI=1S/C24H30O8/c1-15(19(26)29-4)7-6-11-22(3)18-10-13-23(21(28)32-22)12-8-17(20(27)30-5)9-14-24(18,23)31-16(2)25/h6-8,11,18H,9-10,12-14H2,1-5H3/b11-6+,15-7+/t18-,22+,23+,24-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C3[C@H](C(=NN3C(=O)O2)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)C
InChI: InChI=1S/C31H51N3O9/c1-12-21-31(8)25-17(4)22(32-34(25)29(38)43-31)15(2)14-30(7,39-11)26(18(5)23(35)19(6)27(37)41-21)42-28-24(36)20(33(9)10)13-16(3)40-28/h15-21,24-26,28,36H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,21-,24-,25?,26-,28+,30-,31-/m1/s1
SMILES: CC(=O)O[C@H]1CN([C@@H]([C@H]1OC(=O)C)OC)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C17H21NO7/c1-11(19)24-14-9-18(16(22-3)15(14)25-12(2)20)17(21)23-10-13-7-5-4-6-8-13/h4-8,14-16H,9-10H2,1-3H3/t14-,15-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)[C@@H]4[C@@H]5[C@@H](O5)[C@@H]([C@@H]6[C@H]4OC(O6)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H41NO8SSi/c1-18-9-12-20(13-10-18)40(32,33)31(16-19-11-14-21-22(15-19)35-17-34-21)23-24-26(36-24)28(39-41(7,8)29(2,3)4)27-25(23)37-30(5,6)38-27/h9-15,23-28H,16-17H2,1-8H3/t23-,24-,25+,26-,27+,28+/m1/s1
SMILES: CC1=CC(=CC=C1)N[C@@]23[C@@H]4[C@@H]([C@@H](CO4)O)OC2[C@]5(CO[C@H]6[C@@H]5OC[C@H]6O)NC7=C3C=CC(=C7)C
InChI: InChI=1S/C26H30N2O6/c1-13-4-3-5-15(8-13)27-26-16-7-6-14(2)9-17(16)28-25(12-33-20-18(29)10-31-22(20)25)24(26)34-21-19(30)11-32-23(21)26/h3-9,18-24,27-30H,10-12H2,1-2H3/t18-,19-,20-,21-,22+,23+,24?,25-,26+/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CC[C@@H]4[C@@]3([C@H](CC(=O)C4)CCCCCCN)C
InChI: InChI=1S/C25H43NO2/c1-24-13-12-22-20(21(24)10-11-23(24)28)9-8-18-16-19(27)15-17(25(18,22)2)7-5-3-4-6-14-26/h17-18,20-23,28H,3-16,26H2,1-2H3/t17-,18-,20?,21?,22?,23-,24-,25-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H](CC#N)NCC2=CC=CC=C2)[C@@H](CC#N)NCC3=CC=CC=C3)C
InChI: InChI=1S/C25H30N4O2/c1-25(2)30-23(21(13-15-26)28-17-19-9-5-3-6-10-19)24(31-25)22(14-16-27)29-18-20-11-7-4-8-12-20/h3-12,21-24,28-29H,13-14,17-18H2,1-2H3/t21-,22+,23-,24-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=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=C(C=C(C=C7)OCC8=CC=CC=C8)O)C9=CC=C(C=C9)Cl)NC1=CC=C(C=C1)F
InChI: InChI=1S/C53H44ClFN6O6/c1-59(2)38-20-16-35(17-21-38)56-57-36-18-22-39(23-19-36)60-49(63)43-27-26-41-44(47(43)51(60)65)29-45-50(64)61(58-37-14-12-34(55)13-15-37)52(66)53(45,32-8-10-33(54)11-9-32)48(41)42-25-24-40(28-46(42)62)67-30-31-6-4-3-5-7-31/h3-26,28,43-45,47-48,58,62H,27,29-30H2,1-2H3/t43-,44+,45-,47-,48+,53+/m0/s1
SMILES: C1C[C@@H]2[C@H]([C@@H]3[C@H]1/C(=N/OC[C@H](COCC4=CC=CO4)O)/C[C@H]([C@H]3O)O)C(=O)N(C2=O)C5=C(C=C(C=C5)F)F
InChI: InChI=1S/C26H28F2N2O8/c27-13-3-6-20(18(28)8-13)30-25(34)17-5-4-16-19(9-21(32)24(33)22(16)23(17)26(30)35)29-38-11-14(31)10-36-12-15-2-1-7-37-15/h1-3,6-8,14,16-17,21-24,31-33H,4-5,9-12H2/b29-19+/t14-,16+,17+,21+,22-,23+,24+/m0/s1
SMILES: CC(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC3=CC=CC=C3C=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H26O10/c1-13(25)29-12-20-21(30-14(2)26)22(31-15(3)27)23(32-16(4)28)24(34-20)33-19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-24H,12H2,1-4H3/t20-,21+,22-,23+,24-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)O)C(=O)N(C3=O)C7=CC=C(C=C7)C(=O)O
InChI: InChI=1S/C36H30N2O11/c1-48-25-13-18(14-26(49-2)30(25)39)27-21-11-12-22-28(33(42)37(31(22)40)19-7-3-16(4-8-19)35(44)45)23(21)15-24-29(27)34(43)38(32(24)41)20-9-5-17(6-10-20)36(46)47/h3-11,13-14,22-24,27-29,39H,12,15H2,1-2H3,(H,44,45)(H,46,47)/t22-,23+,24+,27-,28-,29+/m0/s1
SMILES: COC(=O)[C@H](CO[C@H]1C(=O)[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C39H41NO10/c1-44-37(42)32(40-39(43)49-25-31-20-12-5-13-21-31)26-48-38-34(41)36(47-24-30-18-10-4-11-19-30)35(46-23-29-16-8-3-9-17-29)33(50-38)27-45-22-28-14-6-2-7-15-28/h2-21,32-33,35-36,38H,22-27H2,1H3,(H,40,43)/t32-,33+,35+,36+,38+/m0/s1
SMILES: CC(=O)O[C@H](C#CC1=CC=CC=C1)[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C29H22N2O6/c1-18(32)37-24(17-12-19-8-4-3-5-9-19)25-26(29(35)30(25)20-13-15-21(36-2)16-14-20)31-27(33)22-10-6-7-11-23(22)28(31)34/h3-11,13-16,24-26H,1-2H3/t24-,25+,26-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CCC(=O)NC4=CC=C(C=C4)Br
InChI: InChI=1S/C18H19BrN2O3/c19-12-3-5-13(6-4-12)20-14(22)7-8-21-17(23)15-10-1-2-11(9-10)16(15)18(21)24/h3-6,10-11,15-16H,1-2,7-9H2,(H,20,22)/t10-,11+,15-,16+
SMILES: CCCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H25N3O3/c1-2-3-13-27-21(28)19-18(14-15-9-5-4-6-10-15)26-24(20(19)22(27)29)16-11-7-8-12-17(16)25-23(24)30/h4-12,18-20,26H,2-3,13-14H2,1H3,(H,25,30)/t18-,19-,20+,24+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC(=CC=C4)C(=O)O[C@@H]5CC(=C[C@@H]6[C@H]5OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC9=CC(=CC=C9)C(=O)NCCO)CCC1O2
InChI: InChI=1S/C52H56N2O8/c1-50(2)31-41-35(20-21-45-51(3,61-45)23-22-42(41)50)26-33-12-10-15-37(27-33)49(58)59-43-29-38(48(57)54-32-34-13-11-14-36(28-34)47(56)53-24-25-55)30-44-46(43)62-52(60-44,39-16-6-4-7-17-39)40-18-8-5-9-19-40/h4-19,26-28,30,41-46,55H,20-25,29,31-32H2,1-3H3,(H,53,56)(H,54,57)/t41-,42-,43-,44-,45?,46+,51-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC/C=C/CCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H32O10/c1-16(26)31-15-21-22(32-17(2)27)23(33-18(3)28)24(34-19(4)29)25(35-21)30-14-10-6-9-13-20-11-7-5-8-12-20/h5-8,10-12,21-25H,9,13-15H2,1-4H3/b10-6+/t21-,22+,23+,24-,25+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C(=O)O)CSC4=CC=[N+](C=C4)CC(=O)O
InChI: InChI=1S/C23H19Cl2N3O6S3/c24-13-1-2-15(25)16(7-13)36-11-17(29)26-19-21(32)28-20(23(33)34)12(10-37-22(19)28)9-35-14-3-5-27(6-4-14)8-18(30)31/h1-7,19,22H,8-11H2,(H2-,26,29,30,31,33,34)/p+1/t19-,22-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=CC(=C(C=C34)/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H54O3Si2/c1-31(2,3)37(8,9)35-29-22-23-14-15-26-25(27(23)21-24(29)13-12-20-34)18-19-33(7)28(26)16-17-30(33)36-38(10,11)32(4,5)6/h12-13,20-22,25-26,28,30H,14-19H2,1-11H3/b13-12+/t25-,26+,28-,30-,33-/m0/s1
SMILES: CC1=CC(=CC(=C1)P([C@@H]2CCC=C[C@H]2P(C3=CC(=CC(=C3)C)C)C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)C
InChI: InChI=1S/C38H44P2/c1-25-13-26(2)18-33(17-25)39(34-19-27(3)14-28(4)20-34)37-11-9-10-12-38(37)40(35-21-29(5)15-30(6)22-35)36-23-31(7)16-32(8)24-36/h9,11,13-24,37-38H,10,12H2,1-8H3/t37-,38-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C
InChI: InChI=1S/C17H23ClN2O3S/c1-11(17(21)19-16-10-12-3-4-13(16)9-12)20(24(2,22)23)15-7-5-14(18)6-8-15/h5-8,11-13,16H,3-4,9-10H2,1-2H3,(H,19,21)/t11-,12+,13-,16-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H76N2O10/c1-5-8-9-10-11-12-13-14-15-20-31-58-47(54)50(25-32-56-33-28-53)44-36-42(49-55-4)40-34-37(21-16-18-26-51)39(22-17-19-27-52)45-41-35-38(57-29-6-2)23-24-43(41)60-48(44,46(40)45)59-30-7-3/h6-7,23-24,34-35,37,39,44-46,51-53H,2-3,5,8-22,25-33,36H2,1,4H3/t37-,39+,44-,45+,46+,48+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=[15N]C3=C(N=CN=C32)N)CO)O
InChI: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1/i14+1
SMILES: COC(=O)[C@@H]1[C@H](N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)[C@H](C(CO)O)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32N2O6/c1-36-28(34)26-25(27(24(33)19-32)37-20-23-15-9-4-10-16-23)30(17-21-11-5-2-6-12-21)29(35)31(26)18-22-13-7-3-8-14-22/h2-16,24-27,32-33H,17-20H2,1H3/t24?,25-,26-,27-/m0/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)OC)OC(O2)(C)C
InChI: InChI=1S/C35H58N2O7/c1-5-6-7-8-9-10-11-12-15-18-25-40-31-30(42-33-32(31)43-35(2,3)44-33)29(26-37-23-16-13-14-17-24-37)41-34(38)36-27-19-21-28(39-4)22-20-27/h19-22,29-33H,5-18,23-26H2,1-4H3,(H,36,38)/t29?,30-,31+,32-,33-/m1/s1
SMILES: C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H22N2O7/c1-12(19(25)22-13-6-7-16-17(10-13)29-11-28-16)30-18(24)8-9-23-20(26)14-4-2-3-5-15(14)21(23)27/h2-3,6-7,10,12,14-15H,4-5,8-9,11H2,1H3,(H,22,25)/t12-,14-,15+/m1/s1
SMILES: CC(C)OC1=C(C=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C)OC
InChI: InChI=1S/C26H25N3O3/c1-16(2)32-21-11-9-19(13-22(21)31-4)24-25(17(3)30)29-20-8-6-5-7-18(20)10-12-23(29)26(24,14-27)15-28/h5-13,16,23-25H,1-4H3/t23-,24-,25-/m1/s1
SMILES: C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)OC(=O)CCC(=O)[O-]
InChI: InChI=1S/C23H26N2O4/c1-2-15-14-25-12-10-16(15)13-20(25)23(29-22(28)8-7-21(26)27)18-9-11-24-19-6-4-3-5-17(18)19/h2-6,9,11,15-16,20,23H,1,7-8,10,12-14H2,(H,26,27)/t15-,16-,20-,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)NN=C3C(=O)OC)Cl
InChI: InChI=1S/C14H12ClN3O4/c1-6-3-4-7(5-8(6)15)18-12(19)9-10(13(18)20)16-17-11(9)14(21)22-2/h3-5,9-10,16H,1-2H3/t9-,10+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCCOC3=CC=CC=C3
InChI: InChI=1S/C22H25N3O3S/c1-15-19(21(26)28-14-13-27-18-7-5-4-6-8-18)20(24-22(29)23-15)16-9-11-17(12-10-16)25(2)3/h4-12,19-20H,1,13-14H2,2-3H3,(H2,23,24,29)/t19-,20+/m1/s1
SMILES: CC(=CC(=O)OC[C@@]1(C[C@@H]1[Sn](C)(C)C)[Si](C)(C)C)C
InChI: InChI=1S/C12H21O2Si.3CH3.Sn/c1-10(2)8-11(13)14-9-12(6-7-12)15(3,4)5;;;;/h6,8H,7,9H2,1-5H3;3*1H3;/t12-;;;;/m1..../s1
SMILES: CC(=O)N1[C@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H19N3O4/c1-12(24)22-20(14-4-3-5-15(10-14)23(25)26)17-9-7-13-6-8-16(27-2)11-18(13)19(17)21-22/h3-6,8,10-11,17,20H,7,9H2,1-2H3/t17-,20-/m0/s1
SMILES: CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C22H25N5O5S/c1-13-11-19(24-14(2)23-13)26-33(31,32)16-9-7-15(8-10-16)25-20(28)12-27-21(29)17-5-3-4-6-18(17)22(27)30/h7-11,17-18H,3-6,12H2,1-2H3,(H,25,28)(H,23,24,26)/t17-,18-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=C(C=C9)Br
InChI: InChI=1S/C45H34BrClN2O6/c46-28-14-16-30(17-15-28)48-41(51)35-21-20-33-36(39(35)43(48)53)24-37-42(52)49(31-13-7-12-29(47)22-31)44(54)45(37,27-10-5-2-6-11-27)40(33)34-19-18-32(23-38(34)50)55-25-26-8-3-1-4-9-26/h1-20,22-23,35-37,39-40,50H,21,24-25H2/t35-,36+,37-,39-,40+,45+/m0/s1
SMILES: COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCCCCC(CNC(=O)C3=NO[C@]4(C3)C=C(C(=C([C@H]4O)Br)OC)Br)O)C=C1Br)O)Br
InChI: InChI=1S/C27H32Br4N4O9/c1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)/t13?,22-,23+,26+,27-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)OCCNC(CN)CN)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N
InChI: InChI=1S/C23H50N8O9/c24-5-9(6-25)31-1-2-36-21-19(39-22-12(29)4-13(33)14(7-26)37-22)10(27)3-11(28)20(21)40-23-18(35)16(30)17(34)15(8-32)38-23/h9-23,31-35H,1-8,24-30H2/t10-,11+,12+,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23+/m0/s1
SMILES: C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@@H]([C@@H](CO)O)O)C(=O)O
InChI: InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9+,10+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)O)O)O)O
InChI: InChI=1S/C41H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-31-34(42)32-50-41-40(47)39(46)38(45)35(51-41)33-49-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,34-35,38-42,45-47H,3-12,14,16-33H2,1-2H3/b15-13-/t34-,35-,38+,39+,40-,41-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C7=CC=CC=C7C=C6)O)Cl)C8=CC=C(C=C8)F)Cl)Cl
InChI: InChI=1S/C37H26Cl3FN2O5/c1-18-6-10-22(16-28(18)38)42-32(45)25-15-14-24-27(29(25)33(42)46)17-36(39)34(47)43(21-11-8-20(41)9-12-21)35(48)37(36,40)30(24)26-13-7-19-4-2-3-5-23(19)31(26)44/h2-14,16,25,27,29-30,44H,15,17H2,1H3/t25-,27+,29-,30+,36+,37-/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)O)[N+]4=CC=CC5=C4CCCC5
InChI: InChI=1S/C23H24N6O5S/c1-34-27-17(13-11-35-23(24)25-13)20(30)26-18-15-8-9-16(19(22(32)33)29(15)21(18)31)28-10-4-6-12-5-2-3-7-14(12)28/h4,6,10-11,15,18H,2-3,5,7-9H2,1H3,(H3-,24,25,26,30,32,33)/p+1/b27-17-/t15-,18+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C2=CC=C(C=C2)F)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H24FNO10/c1-10(24)29-9-16-17(30-11(2)25)18(31-12(3)26)19(32-13(4)27)21(33-16)23-20(28)14-5-7-15(22)8-6-14/h5-8,16-19,21H,9H2,1-4H3,(H,23,28)/t16-,17-,18+,19-,21-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC(=C(C=C8)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C63H80N2O12/c1-4-6-7-8-9-10-11-12-13-21-35-71-62(69)65(41-46-26-29-57-58(36-46)73-44-72-57)59-40-54(64-75-43-45-22-15-14-16-23-45)52-38-47(24-17-19-32-66)51(25-18-20-33-67)60-53-39-50(76-49-27-30-55(70-3)48(37-49)42-68)28-31-56(53)77-63(59,61(52)60)74-34-5-2/h5,14-16,22-23,26-31,36-39,42,47,51,59-61,66-67H,2,4,6-13,17-21,24-25,32-35,40-41,43-44H2,1,3H3/t47-,51+,59-,60+,61+,63+/m0/s1
SMILES: CCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)CC[C@@H]([C@@H]2CC[C@H](O2)[C@@H](CCC(=O)O)O)O
InChI: InChI=1S/C26H48O7/c1-4-5-6-7-8-9-10-11-12-23-24(33-26(2,3)32-23)15-13-19(27)21-16-17-22(31-21)20(28)14-18-25(29)30/h19-24,27-28H,4-18H2,1-3H3,(H,29,30)/t19-,20+,21-,22-,23+,24+/m0/s1
SMILES: C/C=C\C(=O)O[C@@H]1C[C@@H]2[C@]3(C1([C@@]4([C@H](O2)C=C([C@H]5[C@@H]4O5)C)C)C)CO3
InChI: InChI=1S/C19H24O5/c1-5-6-14(20)23-12-8-13-19(9-21-19)18(12,4)17(3)11(22-13)7-10(2)15-16(17)24-15/h5-7,11-13,15-16H,8-9H2,1-4H3/b6-5-/t11-,12-,13-,15+,16+,17-,18?,19+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC(=O)N
InChI: InChI=1S/C20H26N4O3S/c1-11-7-6-10-16(12(11)2)24-18(26)14-8-4-5-9-15(14)22-20(24)28-13(3)17(25)23-19(21)27/h4-5,8-9,11-13,16H,6-7,10H2,1-3H3,(H3,21,23,25,27)/t11-,12-,13-,16+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)OCC)C#N
InChI: InChI=1S/C19H19N3O4S/c1-3-25-15-8-6-5-7-12(15)17-13(9-20)18(24)22-19(14(17)10-21)27-11-16(23)26-4-2/h5-8,13,17H,3-4,11H2,1-2H3,(H,22,24)/t13-,17-/m1/s1
SMILES: CC(C)C[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O
InChI: InChI=1S/C27H35NO8/c1-16(2)12-27(31,14-22(29)33-4)25(30)36-24-21(32-3)13-26-7-5-8-28(26)9-6-17-10-19-20(35-15-34-19)11-18(17)23(24)26/h10-11,13,16,23-24,31H,5-9,12,14-15H2,1-4H3/t23-,24-,26+,27-/m1/s1
SMILES: CCOC1=CCC[C@H]([C@@H](C1)C(C)C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H31O2P/c1-4-26-20-12-11-17-24(23(18-20)19(2)3)27(25,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,12-16,19,23-24H,4,11,17-18H2,1-3H3/t23-,24+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(OP(=O)(O)OP(=O)(O)O)SCCS)O
InChI: InChI=1S/C12H20N5O10P3S3/c13-11-10-12(15-5-14-11)17(6-16-10)9-3-7(18)8(25-9)4-24-30(32,33-2-1-31)27-29(22,23)26-28(19,20)21/h5-9,18,31H,1-4H2,(H,22,23)(H2,13,14,15)(H2,19,20,21)/t7-,8+,9+,30?/m0/s1
SMILES: CC(C)S(=O)(=O)N1CC[C@@H]2CN(C[C@@H]2CC1)C3=NC4=C(N3)C=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H30N4O2S/c1-17(2)31(29,30)28-12-10-20-15-27(16-21(20)11-13-28)24-25-22-9-8-19(14-23(22)26-24)18-6-4-3-5-7-18/h3-9,14,17,20-21H,10-13,15-16H2,1-2H3,(H,25,26)/t20-,21+
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)C#N)C)O
InChI: InChI=1S/C20H29NO2/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(23)9-12(11-21)18(15)20/h3,12,14-18,22-23H,4-10H2,1-2H3/t12-,14+,15-,16+,17+,18+,19+,20-/m1/s1
SMILES: C1[C@H]2[C@H](C3=C(OC4=CC=CC(=C43)C2=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C61
InChI: InChI=1S/C25H16O3/c26-23-17-11-6-12-19-20(17)22(25(28-19)14-7-2-1-3-8-14)21-18(23)13-15-9-4-5-10-16(15)24(21)27/h1-12,18,21H,13H2/t18-,21+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C/C=C/[76Br]
InChI: InChI=1S/C19H24BrNO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1/i20-4
SMILES: C1CCC2(CC1)O[C@@H]3[C@@H](O[C@@H]4[C@@H]([C@@H]3O2)OC5(O4)CCCCC5)CO
InChI: InChI=1S/C18H28O6/c19-11-12-13-14(22-17(21-13)7-3-1-4-8-17)15-16(20-12)24-18(23-15)9-5-2-6-10-18/h12-16,19H,1-11H2/t12-,13+,14+,15+,16-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC(=C(C=C3O2)OC)O)C4=CC(=CC=C4)OC=O
InChI: InChI=1S/C23H20O6/c1-26-16-8-6-14(7-9-16)23-22(15-4-3-5-17(10-15)28-13-24)18-11-19(25)21(27-2)12-20(18)29-23/h3-13,22-23,25H,1-2H3/t22-,23+/m0/s1
SMILES: C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)[C@@]5(CCC(=O)O5)C
InChI: InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,24+,25-,26-,27+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C16H21ClN2O4/c1-10-5-3-4-6-13(10)18-16(20)11(2)23-15-8-7-12(17)9-14(15)19(21)22/h7-11,13H,3-6H2,1-2H3,(H,18,20)/t10-,11-,13+/m1/s1
SMILES: CC1(N([C@H]([C@@H](O1)CCOS(=O)(=O)C)CC2CCCCC2)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C20H37NO6S/c1-19(2,3)27-18(22)21-16(14-15-10-8-7-9-11-15)17(26-20(21,4)5)12-13-25-28(6,23)24/h15-17H,7-14H2,1-6H3/t16-,17-/m0/s1
SMILES: CC(=O)N[C@@H](CS)C(=O)NCCSC(=O)C.CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
InChI: InChI=1S/C36H47N5O4.C9H16N2O3S2/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-6(12)11-8(5-15)9(14)10-3-4-16-7(2)13/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);8,15H,3-5H2,1-2H3,(H,10,14)(H,11,12)/t28-,29-,31-,32+,33-;8-/m00/s1
SMILES: C[C@@H]([C@@H]1C/C=C/C(=O)N[C@H](C(=O)NCCC(=O)O[C@H](C(=O)O1)CC(C)C)CC2=CC=C(C=C2)OC)[C@@H]3[C@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C34H42N2O8/c1-21(2)19-28-34(40)43-27(22(3)31-32(44-31)24-9-6-5-7-10-24)11-8-12-29(37)36-26(33(39)35-18-17-30(38)42-28)20-23-13-15-25(41-4)16-14-23/h5-10,12-16,21-22,26-28,31-32H,11,17-20H2,1-4H3,(H,35,39)(H,36,37)/b12-8+/t22-,26-,27-,28-,31+,32+/m0/s1
SMILES: C1=CC=C(C(=C1)CC2=NC=CO2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C16H19NO7/c18-8-11-13(19)14(20)15(21)16(24-11)23-10-4-2-1-3-9(10)7-12-17-5-6-22-12/h1-6,11,13-16,18-21H,7-8H2/t11-,13-,14+,15-,16-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C(=C1)CCN[C@]23CS[C@H]4C5[C@H]6C7=C(C[C@H](N6)[C@@H](N5[C@@H](COC3=O)C8=C9C(=C(C(=C48)OC(=O)C)C)OCO9)O)C=C(C(=C7O)OC)C)OC
InChI: InChI=1S/C54H71N3O12S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(59)69-39-25-33-21-22-55-54(35(33)26-38(39)63-5)28-70-51-43-42(50-49(66-29-67-50)31(3)48(43)68-32(4)58)37(27-65-53(54)62)57-45(51)44-41-34(24-36(56-44)52(57)61)23-30(2)47(64-6)46(41)60/h23,25-26,36-37,44-45,51-52,55-56,60-61H,7-22,24,27-29H2,1-6H3/t36-,37-,44+,45?,51+,52-,54+/m0/s1
SMILES: CC(C)CC(=O)C1=C(C(=C2C(=C1O)C[C@H]3C[C@@H](C=C[C@]3(O2)C)C(C)C)C=O)O
InChI: InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3/t14-,15-,23-/m1/s1
SMILES: C[C@]1([C@H](C[C@@H]2[C@@](O1)([C@H](C[C@@H](O2)CCCOCC3=CC=CC=C3)OCC4=CC=CC=C4)C)O[Si](C)(C)C(C)(C)C)C=C
InChI: InChI=1S/C35H52O5Si/c1-9-34(5)30(39-41(7,8)33(2,3)4)24-32-35(6,40-34)31(37-26-28-19-14-11-15-20-28)23-29(38-32)21-16-22-36-25-27-17-12-10-13-18-27/h9-15,17-20,29-32H,1,16,21-26H2,2-8H3/t29-,30-,31-,32+,34+,35-/m0/s1