EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN1C2=CC=CC=C2C(=NO[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)NC(=O)C)C1=O
InChI: InChI=1S/C18H23N3O7/c1-3-21-11-7-5-4-6-10(11)13(17(21)26)20-28-18-14(19-9(2)23)16(25)15(24)12(8-22)27-18/h4-7,12,14-16,18,22,24-25H,3,8H2,1-2H3,(H,19,23)/t12-,14-,15+,16-,18-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C
InChI: InChI=1S/C20H25N3O4S/c1-11-6-3-4-7-13(11)21-15(24)10-27-20(26)17-12(2)16-18(28-17)22-14-8-5-9-23(14)19(16)25/h11,13H,3-10H2,1-2H3,(H,21,24)/t11-,13+/m1/s1
SMILES: CCCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)C)ON1C4=CC=CC=C4
InChI: InChI=1S/C22H24N2O3/c1-3-4-10-18-19-20(27-24(18)17-8-6-5-7-9-17)22(26)23(21(19)25)16-13-11-15(2)12-14-16/h5-9,11-14,18-20H,3-4,10H2,1-2H3/t18-,19+,20-/m0/s1
SMILES: CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C21H30N2O3/c1-14-12-18(15(2)23(14)17-9-10-17)21(25)26-13-20(24)22-11-5-7-16-6-3-4-8-19(16)22/h12,16-17,19H,3-11,13H2,1-2H3/t16-,19-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)OC)N=[N+]=[N-]
InChI: InChI=1S/C21H27N6O8P/c1-13-11-27(21(30)23-19(13)28)18-10-15(24-26-22)17(35-18)12-34-36(31,33-3)25-16(20(29)32-2)9-14-7-5-4-6-8-14/h4-8,11,15-18H,9-10,12H2,1-3H3,(H,25,31)(H,23,28,30)/t15-,16?,17+,18+,36?/m0/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](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
InChI: InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
SMILES: CCCCC[C@H](/C=C/[C@H]\1[C@@H](CC(=O)/C1=C/CCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H62O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-28-27(21-18-15-16-19-22-31(35)36-8)29(34)25-30(28)38-40(11,12)33(5,6)7/h21,23-24,26,28,30H,13-20,22,25H2,1-12H3/b24-23+,27-21+/t26-,28-,30-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC(=O)C6=CC=CC=C6)OC
InChI: InChI=1S/C32H26N2O6/c1-20-13-16-23(17-14-20)33-30(35)27-28(34(40-29(27)31(33)36)24-11-7-4-8-12-24)22-15-18-25(26(19-22)38-2)39-32(37)21-9-5-3-6-10-21/h3-19,27-29H,1-2H3/t27-,28-,29+/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)CN4CCC5(CC4)OCCO5
InChI: InChI=1S/C30H38N2O8/c1-20-25(18-32-13-11-30(12-14-32)37-15-16-38-30)39-29(40-28(20)22-7-5-21(19-33)6-8-22)23-3-2-4-24(17-23)31-26(34)9-10-27(35)36/h2-8,17,20,25,28-29,33H,9-16,18-19H2,1H3,(H,31,34)(H,35,36)/t20-,25+,28+,29+/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@@H]([C@H]1[C@H](O1)CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H52O5Si2/c1-31(2,3)37-29(34)24-28(38-39(10,11)32(4,5)6)30-27(36-30)22-23-35-40(33(7,8)9,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h12-21,27-28,30H,22-24H2,1-11H3/t27-,28+,30-/m1/s1
SMILES: C=CCCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C27H28Cl2N2O5/c1-2-3-8-23(33)31(15-16-9-10-19(28)20(29)13-16)21-14-18(27(35)30-11-12-32)24-17-6-4-5-7-22(17)36-26(24)25(21)34/h2,4-7,9-10,13-14,21,24-26,32,34H,1,3,8,11-12,15H2,(H,30,35)/t21-,24+,25+,26+/m1/s1
SMILES: CCN1CC[C@]([C@@H](C1)C(=O)C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)O
InChI: InChI=1S/C20H23NO4/c1-2-21-12-11-20(25,15-5-9-17(23)10-6-15)18(13-21)19(24)14-3-7-16(22)8-4-14/h3-10,18,22-23,25H,2,11-13H2,1H3/t18-,20+/m0/s1
SMILES: CCC1=C(N=C(C(=N1)N[C@@H]2CN(C[C@@H]2OCCF)C(=O)OCC)CC)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C23H29Cl2FN4O3/c1-4-17-21(15-8-7-14(24)11-16(15)25)27-18(5-2)22(28-17)29-19-12-30(23(31)32-6-3)13-20(19)33-10-9-26/h7-8,11,19-20H,4-6,9-10,12-13H2,1-3H3,(H,28,29)/t19-,20+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C)C[C@@H]3CCS(=O)(=O)C3
InChI: InChI=1S/C17H28N4O3S2/c1-12-5-3-4-6-14(12)18-16(22)10-25-17-20-19-15(21(17)2)9-13-7-8-26(23,24)11-13/h12-14H,3-11H2,1-2H3,(H,18,22)/t12-,13-,14-/m0/s1
SMILES: C=C[C@H]([C@@H]1C[C@@H]([C@@H](O1)CC#CCCCCOCC2=CC=CC=C2)O)O
InChI: InChI=1S/C21H28O4/c1-2-18(22)21-15-19(23)20(25-21)13-9-4-3-5-10-14-24-16-17-11-7-6-8-12-17/h2,6-8,11-12,18-23H,1,3,5,10,13-16H2/t18-,19+,20+,21+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](C=C[C@@H]([C@@H]1Br)O)S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H27BrO4SSi/c1-18(2,3)25(4,5)23-17-15(12-11-14(20)16(17)19)24(21,22)13-9-7-6-8-10-13/h6-12,14-17,20H,1-5H3/t14-,15+,16-,17-/m0/s1
SMILES: C[Si](C)(C)C1=C([C@@H]2CCN3[C@@H]2C(=C1)C4=CC5=C(C=C4C3=O)OCO5)[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Co]
InChI: InChI=1S/C22H29NO3Si2.C5H5.Co/c1-27(2,3)19-11-15-14-9-17-18(26-12-25-17)10-16(14)22(24)23-8-7-13(20(15)23)21(19)28(4,5)6;1-2-4-5-3-1;/h9-11,13,20H,7-8,12H2,1-6H3;1-5H;/t13-,20+;;/m1../s1
SMILES: C1COC2=C(C=C(C=C2)C(=O)COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)OC1
InChI: InChI=1S/C20H24O5/c21-17(15-4-5-18-19(10-15)24-7-1-6-23-18)12-25-20(22)11-16-9-13-2-3-14(16)8-13/h4-5,10,13-14,16H,1-3,6-9,11-12H2/t13-,14+,16-/m0/s1
SMILES: C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)CC/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8C7C=CC=C8O
InChI: InChI=1S/C36H46N4O2/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36/h1,4,7,11-15,18,23,25-26,29,31,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2/b4-1-,12-7-/t25?,26?,29-,31?,34+,35-,36-/m0/s1
SMILES: CC(C)CC(=O)O[C@H]1C2C(C[C@@H]([C@@]2(COC(=O)C)O)OC(=O)C)C(=CO1)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H42O16/c1-13(2)7-22(35)45-27-23-19(8-21(41-15(4)32)29(23,37)12-40-14(3)31)18(10-38-27)11-39-28-26(43-17(6)34)25(42-16(5)33)24(36)20(9-30)44-28/h10,13,19-21,23-28,30,36-37H,7-9,11-12H2,1-6H3/t19?,20-,21+,23?,24-,25+,26-,27+,28-,29-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)N=C3N2C(=CS3)C4=CC5=C(C=C4)OCCCO5
InChI: InChI=1S/C18H20N2O2S/c1-2-5-14-13(4-1)19-18-20(14)15(11-23-18)12-6-7-16-17(10-12)22-9-3-8-21-16/h6-7,10-11,13-14H,1-5,8-9H2/t13-,14+/m1/s1
SMILES: CCOC(=O)N/N=C(\C)/C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H36N2O3/c1-5-29-22(28)26-25-15(2)19-8-9-20-18-7-6-16-14-17(27)10-12-23(16,3)21(18)11-13-24(19,20)4/h6,8,17-18,20-21,27H,5,7,9-14H2,1-4H3,(H,26,28)/b25-15+/t17-,18+,20-,21-,23-,24+/m0/s1
SMILES: CN1[C@@H]2[C@H](CC3=C1C=C(C=N3)Cl)C(=O)N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C17H14ClN3O2/c1-20-14-7-10(18)9-19-13(14)8-12-15(20)17(23)21(16(12)22)11-5-3-2-4-6-11/h2-7,9,12,15H,8H2,1H3/t12-,15+/m0/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OC)O)O
InChI: InChI=1S/C24H38O6/c1-5-15(2)24(28)30-21-8-6-7-17-10-9-16(3)20(23(17)21)12-11-18(25)13-19(26)14-22(27)29-4/h7,9-10,15-16,18-21,23,25-26H,5-6,8,11-14H2,1-4H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES: C1C=CC[C@@]23[C@@]1([C@@H]4C=C[C@H]2C4=C(C5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7S3(=O)=O
InChI: InChI=1S/C30H24O4S2/c31-35(32)25-15-7-8-16-26(25)36(33,34)30-20-10-9-19-29(30,35)23-17-18-24(30)28(23)27(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,23-24H,19-20H2/t23-,24+,29-,30+
SMILES: C[C@@H](CC(=O)C=C(C)C)[C@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI: InChI=1S/C30H46O2/c1-19(2)17-21(31)18-20(3)22-11-15-30(8)24-9-10-25-27(4,5)26(32)13-14-28(25,6)23(24)12-16-29(22,30)7/h9,17,20,22-23,25H,10-16,18H2,1-8H3/t20-,22+,23-,25-,28+,29-,30+/m0/s1
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@H](C(C(=N)S4)C#N)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H23FN2OS/c23-16-3-1-15(2-4-16)18-17(11-24)21(25)27-19(18)20(26)22-8-12-5-13(9-22)7-14(6-12)10-22/h1-4,12-14,17-19,25H,5-10H2/t12?,13?,14?,17?,18-,19+,22?/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)Cl
InChI: InChI=1S/C33H32Cl2N2O8/c1-36-30(42)32(34)16-22-20(9-10-21-26(22)29(41)37(28(21)40)13-12-17-4-7-19(38)8-5-17)23(33(32,35)31(36)43)11-6-18-14-24(44-2)27(39)25(15-18)45-3/h4-9,11,14-15,21-23,26,38-39H,10,12-13,16H2,1-3H3/t21-,22+,23-,26-,32+,33-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@]3(C(=O)O[C@@H](C[C@]3([C@H]4[C@@]2(C(=C(CC4)OC(=O)C)C(=O)OC)C)C)C5=COC=C5)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H46O18/c1-17(38)48-16-25-29(50-19(3)40)30(51-20(4)41)31(52-21(5)42)33(53-25)55-27-14-37(45)34(44)54-24(22-11-12-47-15-22)13-35(37,6)26-10-9-23(49-18(2)39)28(32(43)46-8)36(26,27)7/h11-12,15,24-27,29-31,33,45H,9-10,13-14,16H2,1-8H3/t24-,25+,26-,27-,29+,30-,31+,33-,35-,36-,37+/m0/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3CC=C(C[C@@H]3C2=O)Cl
InChI: InChI=1S/C19H21ClN2O3/c1-3-21(4-2)17(23)12-5-8-14(9-6-12)22-18(24)15-10-7-13(20)11-16(15)19(22)25/h5-9,15-16H,3-4,10-11H2,1-2H3/t15-,16+/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)NC(=O)[C@H](C)OC(=O)C)CSC4=CC=C(C=C4)NC(=O)C
InChI: InChI=1S/C32H36N2O7S/c1-19-29(18-42-28-15-13-26(14-16-28)33-21(3)36)40-32(41-30(19)24-7-5-23(17-35)6-8-24)25-9-11-27(12-10-25)34-31(38)20(2)39-22(4)37/h5-16,19-20,29-30,32,35H,17-18H2,1-4H3,(H,33,36)(H,34,38)/t19-,20-,29+,30+,32+/m0/s1
SMILES: CCN(CC)C1=NS(=O)(=O)[C@@H]([C@@H]1C2=CC=C(C=C2)OC)NC(=O)C(F)(F)F
InChI: InChI=1S/C16H20F3N3O4S/c1-4-22(5-2)13-12(10-6-8-11(26-3)9-7-10)14(27(24,25)21-13)20-15(23)16(17,18)19/h6-9,12,14H,4-5H2,1-3H3,(H,20,23)/t12-,14+/m1/s1
SMILES: C[C@H](COC=C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C24H36O2/c1-5-26-15-16(2)20-8-9-21-19-7-6-17-14-18(25)10-12-23(17,3)22(19)11-13-24(20,21)4/h5,14,16,19-22H,1,6-13,15H2,2-4H3/t16-,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)C)C
InChI: InChI=1S/C19H27NO3/c1-12-9-10-13(2)16(11-12)19(22)23-15(4)18(21)20-17-8-6-5-7-14(17)3/h9-11,14-15,17H,5-8H2,1-4H3,(H,20,21)/t14-,15+,17-/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC(=CC=C4)Cl)(C)C(=O)OCC
InChI: InChI=1S/C24H25ClN2O4/c1-4-27-21(28)18-19(22(27)29)24(3,23(30)31-5-2)26-20(18)15-11-9-14(10-12-15)16-7-6-8-17(25)13-16/h6-13,18-20,26H,4-5H2,1-3H3/t18-,19-,20-,24-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)OC)C(=O)O)C
InChI: InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1
SMILES: CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C23H33N3O2S/c1-3-4-5-10-15-26-22(28)18-12-7-9-14-20(18)25-23(26)29-16-21(27)24-19-13-8-6-11-17(19)2/h7,9,12,14,17,19H,3-6,8,10-11,13,15-16H2,1-2H3,(H,24,27)/t17-,19-/m0/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=C(C(=CC=C3)F)O)C=C)C)C
InChI: InChI=1S/C21H21FO3/c1-5-13-9-10-15-18(23)11(2)12(3)20(25)21(15,4)17(13)14-7-6-8-16(22)19(14)24/h5-9,15,17,24H,1,10H2,2-4H3/t15-,17+,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)CO4)Br
InChI: InChI=1S/C19H29BrO3/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/h11-16,21-22H,2-10H2,1H3/t11-,12-,13-,14-,15-,16+,17-,18-,19-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC=C(C=C6)O)C(=O)N(C5=O)O)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C33H27Cl2N3O7/c1-45-20-9-4-17(5-10-20)33-24(30(41)37(32(33)43)36-26-13-6-18(34)14-25(26)35)15-23-21(28(33)16-2-7-19(39)8-3-16)11-12-22-27(23)31(42)38(44)29(22)40/h2-11,13-14,22-24,27-28,36,39,44H,12,15H2,1H3/t22-,23+,24-,27-,28-,33+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)C[N+](C)(C)CC=C
InChI: InChI=1S/C17H30NO2/c1-7-10-18(5,6)12-15(19)20-14-11-13-8-9-17(14,4)16(13,2)3/h7,13-14H,1,8-12H2,2-6H3/q+1/t13-,14-,17+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2C3=CC4=C(C=C3[C@@H]([C@@H]5[C@@]2(C(=O)OC5)F)O)OCO4
InChI: InChI=1S/C22H21FO8/c1-26-16-4-10(5-17(27-2)20(16)28-3)18-11-6-14-15(31-9-30-14)7-12(11)19(24)13-8-29-21(25)22(13,18)23/h4-7,13,18-19,24H,8-9H2,1-3H3/t13-,18-,19+,22-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C/C(=N\O)/[C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)OC)C
InChI: InChI=1S/C30H51NO4/c1-19(2)9-8-10-20(3)24-11-12-25-23-17-27(31-33)30(34-7)18-22(35-21(4)32)13-16-29(30,6)26(23)14-15-28(24,25)5/h19-20,22-26,33H,8-18H2,1-7H3/b31-27+/t20-,22+,23+,24-,25+,26+,28-,29-,30+/m1/s1
SMILES: C1CN2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C20H22N6OS/c27-19(22-20-21-7-9-28-20)17-12-25-8-6-15(17)10-16(25)11-26-13-18(23-24-26)14-4-2-1-3-5-14/h1-5,7,9,13,15-17H,6,8,10-12H2,(H,21,22,27)/t15-,16+,17-/m0/s1
SMILES: CC(=O)C1=CC[C@@]23[C@@]1(C[C@H]([C@@]45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5)OC)C)OCOC)CNCCO3
InChI: InChI=1S/C26H37NO6/c1-17(28)19-7-8-25-20-6-5-18-13-24(30-4)10-9-22(18,2)26(20,33-24)21(31-16-29-3)14-23(19,25)15-27-11-12-32-25/h6-7,18,21,27H,5,8-16H2,1-4H3/t18-,21-,22+,23+,24+,25+,26+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[14CH2]O)O
InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i4+2
SMILES: C[C@@H]1COC(=O)[C@H](COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]1OC)C
InChI: InChI=1S/C18H27NO6/c1-12-10-24-17(21)13(2)11-25-18(22)14-6-5-9-19(14)16(20)8-4-7-15(12)23-3/h4,7,12-15H,5-6,8-11H2,1-3H3/b7-4+/t12-,13+,14+,15-/m1/s1
SMILES: CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C17H24N2O5S/c1-11(2)19-25(23,24)13-9-7-12(8-10-13)18-16(20)14-5-3-4-6-15(14)17(21)22/h7-11,14-15,19H,3-6H2,1-2H3,(H,18,20)(H,21,22)/t14-,15+/m1/s1
SMILES: C[C@@]12CCCC[C@@]1([C@@H](C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C26H36O2Si/c1-24(2,3)29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28-20-21-19-25(4)17-11-12-18-26(21,25)27/h5-10,13-16,21,27H,11-12,17-20H2,1-4H3/t21-,25-,26-/m0/s1
SMILES: C1CN2CCC1[C@H]([C@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5C(F)(F)F
InChI: InChI=1S/C28H29F3N2/c29-28(30,31)24-14-8-7-13-23(24)19-32-26-22-15-17-33(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,32H,15-19H2/t26-,27-/m1/s1
SMILES: CCOC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H24ClN3O4/c1-2-27-17(24)11-16-18(25)22-14-8-3-4-9-15(14)23(16)19(26)21-13-7-5-6-12(20)10-13/h5-7,10,14-16H,2-4,8-9,11H2,1H3,(H,21,26)(H,22,25)/t14-,15+,16+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4[NH2+]CC[NH3+])C)O
InChI: InChI=1S/C21H38N2O/c1-20-9-7-15(24)13-14(20)3-4-16-17-5-6-19(23-12-11-22)21(17,2)10-8-18(16)20/h14-19,23-24H,3-13,22H2,1-2H3/p+2/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@@H]2COC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)N3C
InChI: InChI=1S/C29H31F2NO/c1-19-3-5-20(6-4-19)26-17-25-15-16-28(32(25)2)27(26)18-33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3-14,25-29H,15-18H2,1-2H3/t25-,26+,27+,28+/m0/s1
SMILES: C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)/C=C\C5=CC=CC=C5)C
InChI: InChI=1S/C23H28O4/c1-15-9-11-19-16(2)20(12-10-17-7-5-4-6-8-17)24-21-23(19)18(15)13-14-22(3,25-21)26-27-23/h4-8,10,12,15,18-19,21H,9,11,13-14H2,1-3H3/b12-10-/t15-,18+,19+,21-,22-,23-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)C[C@@H](C(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OC(=O)C8=CC=C(C=C8)C
InChI: InChI=1S/C50H45N5O9/c1-32-13-19-38(20-14-32)47(56)61-29-42-41(64-48(57)39-21-15-33(2)16-22-39)26-43(63-42)55-31-53-45-44(51-30-52-46(45)55)37-23-17-34(18-24-37)25-40(49(58)60-27-35-9-5-3-6-10-35)54-50(59)62-28-36-11-7-4-8-12-36/h3-24,30-31,40-43H,25-29H2,1-2H3,(H,54,59)/t40-,41-,42+,43+/m0/s1
SMILES: CC1(O[C@@H]2CN([C@@H]([C@H]([C@@H]2O1)OCOC)COCCCCCN)CCC3=CNC4=CC=CC=C43)C
InChI: InChI=1S/C26H41N3O5/c1-26(2)33-23-16-29(13-11-19-15-28-21-10-6-5-9-20(19)21)22(17-31-14-8-4-7-12-27)24(25(23)34-26)32-18-30-3/h5-6,9-10,15,22-25,28H,4,7-8,11-14,16-18,27H2,1-3H3/t22-,23-,24-,25-/m1/s1
SMILES: COCO[C@H]1[C@H]2CC=NC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CC=NC[C@@H](O2)[C@H]([C@@H]1OCC4=CC=CC=C4)OCOC)OCOC)OCC5=CC=CC=C5)OCOC
InChI: InChI=1S/C38H54N2O12/c1-41-23-47-33-29-15-17-39-20-32-36(50-26-44-4)38(46-22-28-13-9-6-10-14-28)34(48-24-42-2)30(52-32)16-18-40-19-31(51-29)35(49-25-43-3)37(33)45-21-27-11-7-5-8-12-27/h5-14,17-18,29-38H,15-16,19-26H2,1-4H3/t29-,30-,31-,32-,33+,34+,35-,36-,37-,38-/m1/s1
SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)C(CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O
InChI: InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35?,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1
SMILES: CC(=CCC1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C
InChI: InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/t19-,20?,23-,24-,25?,26+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H20N2O6/c1-13-5-10-18-19(11-13)21(26)23(20(18)25)15-6-8-17(9-7-15)30-22(27)14-3-2-4-16(12-14)24(28)29/h2-4,6-9,12-13,18-19H,5,10-11H2,1H3/t13-,18-,19-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.C1=CC=C(C=C1)CCOCCCS(=O)(=O)CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl
InChI: InChI=1S/C22H29FO5.C22H28N2O5S2.ClH/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17;/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;1-3,5-8,23,25H,4,9-16H2,(H,24,26);1H/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1
SMILES: B1(O[C@@H]2[C@H]3CC[C@@]([C@@]2(O1)C4=CC=CC=C4)(C3(C)C)C)CC(=C)C(=O)OCC
InChI: InChI=1S/C22H29BO4/c1-6-25-19(24)15(2)14-23-26-18-17-12-13-21(5,20(17,3)4)22(18,27-23)16-10-8-7-9-11-16/h7-11,17-18H,2,6,12-14H2,1,3-5H3/t17-,18-,21-,22-/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H](C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)/C(=C/C)/C
InChI: InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-16-11-15-9-10-19(25)28-17(15)12-18(16)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7+,14-8+/t20-,21+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H](OC(N1C(=O)OC(C)(C)C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C18H25NO4/c1-12(20)14-15(13-10-8-7-9-11-13)22-18(5,6)19(14)16(21)23-17(2,3)4/h7-11,14-15H,1-6H3/t14-,15-/m1/s1
SMILES: CC(C)(C(=O)N[C@H]1[C@H](CC2=CC=CC=C12)O)SCC3=CC=CC=C3Cl
InChI: InChI=1S/C20H22ClNO2S/c1-20(2,25-12-14-8-4-6-10-16(14)21)19(24)22-18-15-9-5-3-7-13(15)11-17(18)23/h3-10,17-18,23H,11-12H2,1-2H3,(H,22,24)/t17-,18+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H]([C@H]2CCC(=O)N2CC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C=O)C
InChI: InChI=1S/C24H37NO5Si/c1-23(2,3)31(6,7)30-21(22-19(16-26)28-24(4,5)29-22)18-13-14-20(27)25(18)15-17-11-9-8-10-12-17/h8-12,16,18-19,21-22H,13-15H2,1-7H3/t18-,19+,21+,22-/m1/s1
SMILES: C[C@@]12CC[C@H]3C(=CCC4[C@@]3(CC[C@H](C4(C)C)O)C)[C@]1(CC[C@@H]2[C@@H]5C[C@H]([C@@H](C(OC5)(C)C)O)O)C
InChI: InChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(33)27(3,4)34-17-18/h8,18-20,22-25,31-33H,9-17H2,1-7H3/t18-,19-,20+,22-,23?,24-,25+,28-,29+,30-/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)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSC8=C(C=CC=N8)C(=O)O
InChI: InChI=1S/C43H47N3O6S/c1-26-37(25-53-39-36(40(48)49)9-4-14-44-39)51-41(52-38(26)32-12-10-27(24-47)11-13-32)35-8-3-7-34(19-35)33-6-2-5-28(18-33)23-45-42(50)46-43-20-29-15-30(21-43)17-31(16-29)22-43/h2-14,18-19,26,29-31,37-38,41,47H,15-17,20-25H2,1H3,(H,48,49)(H2,45,46,50)/t26-,29?,30?,31?,37+,38+,41+,43?/m1/s1
SMILES: CC12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)CC6=CC=CC=C6
InChI: InChI=1S/C26H21NO2/c1-26-19-13-7-5-11-17(19)21(18-12-6-8-14-20(18)26)22-23(26)25(29)27(24(22)28)15-16-9-3-2-4-10-16/h2-14,21-23H,15H2,1H3/t21?,22-,23-,26?/m1/s1
SMILES: CC(C)(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
InChI: InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3C[NH+](C)[C@@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C25H35NO3/c1-16-9-8-12-25(3)14-22-19(13-21(16)25)20(24(28)29-22)15-26(4)17(2)23(27)18-10-6-5-7-11-18/h5-7,10-11,17,19-20,22-23,27H,8-9,12-15H2,1-4H3/p+1/t17-,19+,20+,22+,23+,25+/m0/s1
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=C(C=N2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C16H18N4O9S/c17-7-1-3-9(4-2-7)30(26,27)20-16-18-5-8(6-19-16)28-15-12(23)10(21)11(22)13(29-15)14(24)25/h1-6,10-13,15,21-23H,17H2,(H,24,25)(H,18,19,20)/t10-,11-,12+,13-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=N[C@@H]([C@H](O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O)C(=O)OC
InChI: InChI=1S/C25H23NO6/c1-29-19-11-8-17(9-12-19)24-26-22(25(28)30-2)23(32-24)18-10-13-21(20(27)14-18)31-15-16-6-4-3-5-7-16/h3-14,22-23,27H,15H2,1-2H3/t22-,23+/m0/s1
SMILES: C[C@H]1[C@@H]([Si](O[C@@H]1C(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)CCOC(=O)C
InChI: InChI=1S/C23H30O3Si/c1-17(2)23-18(3)22(15-16-25-19(4)24)27(26-23,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17-18,22-23H,15-16H2,1-4H3/t18-,22-,23+/m0/s1
SMILES: CC1=NC=C(C(=C1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI: InChI=1S/C26H41NO18/c1-8-14(31)10(7-41-24-20(37)17(34)15(32)11(3-28)42-24)9(2-27-8)6-40-25-22(39)19(36)23(13(5-30)44-25)45-26-21(38)18(35)16(33)12(4-29)43-26/h2,11-13,15-26,28-39H,3-7H2,1H3/t11-,12-,13-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]3[C@H]4[C@H]2CCC5=CC(=O)CC[C@]45OC6=C3C=CC(=C6)OC)C)O
InChI: InChI=1S/C28H32O4/c1-4-11-27(30)12-10-23-21-7-5-17-14-18(29)9-13-28(17)25(21)22(16-26(23,27)2)20-8-6-19(31-3)15-24(20)32-28/h6,8,14-15,21-23,25,30H,5,7,9-10,12-13,16H2,1-3H3/t21-,22+,23-,25+,26-,27-,28+/m0/s1
SMILES: C1CC(=O)C[C@H]([C@@H]1O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H20O4/c21-16-11-12-18(22)17(13-16)19(14-7-3-1-4-8-14)24-20(23)15-9-5-2-6-10-15/h1-10,17-19,22H,11-13H2/t17-,18-,19-/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C24H24BrNO8/c1-32-17-5-3-2-4-16(17)26-23(31)15-9-13-8-14(25)7-6-12(13)10-18(15)33-24-22(30)21(29)20(28)19(11-27)34-24/h2-10,19-22,24,27-30H,11H2,1H3,(H,26,31)/t19-,20+,21+,22-,24-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](COC1=CC=CC=C1)[C@@H]2[C@H](OCO2)[C@H](COC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C29H40N2O8/c1-28(2,3)38-26(32)30-22(17-34-20-13-9-7-10-14-20)24-25(37-19-36-24)23(31-27(33)39-29(4,5)6)18-35-21-15-11-8-12-16-21/h7-16,22-25H,17-19H2,1-6H3,(H,30,32)(H,31,33)/t22-,23-,24+,25+/m0/s1
SMILES: CCO[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)OCC2=C
InChI: InChI=1S/C17H32O4Si/c1-8-18-15-9-13-12(2)10-19-16(13)14(21-15)11-20-22(6,7)17(3,4)5/h13-16H,2,8-11H2,1,3-7H3/t13-,14-,15+,16+/m1/s1
SMILES: CC[C@]12CCC3C(C1CCC[C@@H]2OCC)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
InChI: InChI=1S/C23H35NO5S/c1-4-23-12-11-16-17(19(23)7-6-8-22(23)28-5-2)10-9-15-13-21(29-30(24,25)26)20(27-3)14-18(15)16/h13-14,16-17,19,22H,4-12H2,1-3H3,(H2,24,25,26)/t16?,17?,19?,22-,23-/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)C4=CC=C(C=C4)OC)OC)(C)C(=O)OCC
InChI: InChI=1S/C26H30N2O6/c1-6-28-23(29)20-21(24(28)30)26(3,25(31)34-7-2)27-22(20)16-10-13-18(19(14-16)33-5)15-8-11-17(32-4)12-9-15/h8-14,20-22,27H,6-7H2,1-5H3/t20-,21-,22-,26-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H]2C=C)N=[N+]=[N-]
InChI: InChI=1S/C13H16N4O2S/c1-3-13-12(15-16-14)8-9-17(13)20(18,19)11-6-4-10(2)5-7-11/h3-7,12-13H,1,8-9H2,2H3/t12-,13-/m0/s1
SMILES: CC(C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C(=O)N1CC4=CC=C(C=C4)OC)C5=CC=C(C=C5)C(=N)N.Cl
InChI: InChI=1S/C27H34N4O2.ClH/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17;/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29);1H/t21-,22-,23-,24+,25-;/m0./s1