EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCC(C(=O)C(=O)N[C@@H](C)C1=CC=CC=C1)NC(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)C
InChI: InChI=1S/C32H48N4O6/c1-8-13-24(26(37)29(39)33-20(4)21-14-10-9-11-15-21)34-28(38)25-23-17-12-16-22(23)18-36(25)30(40)27(32(5,6)7)35-31(41)42-19(2)3/h9-11,14-15,19-20,22-25,27H,8,12-13,16-18H2,1-7H3,(H,33,39)(H,34,38)(H,35,41)/t20-,22+,23+,24?,25-,27+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=C(C=CC(=C4)OC)OC)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C29H23NO7/c1-15-8-10-16(11-9-15)24-22-23(29(37-24)25(31)18-6-4-5-7-19(18)26(29)32)28(34)30(27(22)33)20-14-17(35-2)12-13-21(20)36-3/h4-14,22-24H,1-3H3/t22-,23+,24-/m1/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC(=O)N(C)C)C=C2)C(=O)NO
InChI: InChI=1S/C24H36N4O6/c1-15(2)12-19-18(23(31)27-33)6-5-11-34-17-9-7-16(8-10-17)13-20(26-22(19)30)24(32)25-14-21(29)28(3)4/h7-10,15,18-20,33H,5-6,11-14H2,1-4H3,(H,25,32)(H,26,30)(H,27,31)/t18-,19+,20-/m0/s1
SMILES: CC1([C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2OC(=O)C=C3)OC(=O)N)O)OC)C
InChI: InChI=1S/C18H21NO8/c1-18(2)15(23-3)12(21)14(26-17(19)22)16(27-18)24-10-6-4-5-9-7-8-11(20)25-13(9)10/h4-8,12,14-16,21H,1-3H3,(H2,19,22)/t12-,14+,15+,16+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
InChI: InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1
SMILES: CC1=CC(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]2C6=CC(=C(C(=C6Br)Br)O)OC)C
InChI: InChI=1S/C29H25Br2N3O6/c1-14-11-21(35)29(2)18(25(14)36)13-19-16(22(29)17-12-20(40-3)26(37)24(31)23(17)30)9-10-32-27(38)33(28(39)34(19)32)15-7-5-4-6-8-15/h4-9,11-12,18-19,22,37H,10,13H2,1-3H3/t18-,19+,22+,29-/m0/s1
SMILES: C[C@@H](C1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,13,15,17-19,22-23H,6-12H2,1-3H3/t13-,15-,17?,18-,19-,20-,21+/m0/s1
SMILES: CC1=C(C(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C10H14N2O7/c1-3-5(14)8(17)12(10(18)11-3)9-7(16)6(15)4(2-13)19-9/h4,6-7,9,13-16H,2H2,1H3,(H,11,18)/t4-,6-,7-,9-/m1/s1
SMILES: CCC[C@H]1[C@@H](C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC6=C(C1=N2)CC7(C6=C5C)OCCO7)N4)CC)C)CC)C)C
InChI: InChI=1S/C35H42N4O2/c1-8-11-24-20(6)28-14-26-18(4)22(9-2)30(36-26)15-27-19(5)23(10-3)31(37-27)16-29-21(7)32-34(39-29)25(33(24)38-28)17-35(32)40-12-13-41-35/h14-16,20,24,36-37H,8-13,17H2,1-7H3/t20-,24-/m0/s1
SMILES: C1CCC(C1)NC(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)O)C=C3
InChI: InChI=1S/C14H19NO3/c16-13(15-10-3-1-2-4-10)11-8-5-6-9(7-8)12(11)14(17)18/h5-6,8-12H,1-4,7H2,(H,15,16)(H,17,18)/t8-,9+,11+,12+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C3([C@@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7F
InChI: InChI=1S/C34H24FNO3/c1-20-14-16-22(17-15-20)31(37)30-29(25-11-5-6-12-26(25)35)34(32(38)23-9-3-4-10-24(23)33(34)39)28-19-18-21-8-2-7-13-27(21)36(28)30/h2-19,28-30H,1H3/t28-,29-,30+/m1/s1
SMILES: CCCC[C@@H]1C[C@]23C[C@]1(CC[C@H]2[C@]45CC=C[C@@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C)OC(=O)C
InChI: InChI=1S/C24H32O6/c1-4-5-7-15-12-22-13-23(15,29-14(2)25)11-8-16(22)24-10-6-9-21(3,20(28)30-24)18(24)17(22)19(26)27/h6,9,15-18H,4-5,7-8,10-13H2,1-3H3,(H,26,27)/t15-,16-,17-,18-,21+,22+,23+,24-/m1/s1
SMILES: CCCN1C[C@@H](C[C@@H]2[C@@H]1CC3=CNC4=CC=CC2=C34)CSC
InChI: InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16+,18+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC(=C3)C#N
InChI: InChI=1S/C17H17N3O3/c18-9-11-4-3-5-12(8-11)19-15(21)10-20-16(22)13-6-1-2-7-14(13)17(20)23/h3-5,8,13-14H,1-2,6-7,10H2,(H,19,21)/t13-,14+
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1C2=CC=C(C=C2)C(C)(C)C)O)Cl
InChI: InChI=1S/C25H37ClO3/c1-17(2)29-23(28)11-9-7-6-8-10-20-21(26)16-22(27)24(20)18-12-14-19(15-13-18)25(3,4)5/h6,8,12-15,17,20-22,24,27H,7,9-11,16H2,1-5H3/b8-6-/t20-,21+,22+,24+/m0/s1
SMILES: C[C@H](CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC[C@H]7[C@@]6(CCC(C7)(F)F)C)C.[Br-]
InChI: InChI=1S/C42H54F2P.BrH/c1-31(14-13-29-45(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35)37-23-24-38-36-22-21-32-30-42(43,44)28-27-40(32,2)39(36)25-26-41(37,38)3;/h4-12,15-20,31-32,36-39H,13-14,21-30H2,1-3H3;1H/q+1;/p-1/t31-,32-,36+,37-,38+,39+,40+,41-;/m1./s1
SMILES: CC(C)C1=CC(=O)C2=C(O1)C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI: InChI=1S/C25H26O13/c1-8(2)15-6-12(29)17-10(27)5-11(28)18(22(17)36-15)23-24(21(34)20(33)16(7-26)37-23)38-25(35)9-3-13(30)19(32)14(31)4-9/h3-6,8,16,20-21,23-24,26-28,30-34H,7H2,1-2H3/t16-,20-,21+,23+,24-/m1/s1
SMILES: CC1=CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)[C@H](CC4=O)CO)C)C
InChI: InChI=1S/C21H28O3/c1-12-8-15(23)10-14-4-5-16-17(21(12,14)3)6-7-20(2)18(24)9-13(11-22)19(16)20/h8,10,13,16-17,19,22H,4-7,9,11H2,1-3H3/t13-,16-,17+,19+,20-,21+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2C=C[C@H]1[C@@H](C(=O)[C@@H]2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C26H29NO3/c1-26(2,3)30-25(29)27-22-14-15-23(27)21(17-19-12-8-5-9-13-19)24(28)20(22)16-18-10-6-4-7-11-18/h4-15,20-23H,16-17H2,1-3H3/t20-,21+,22-,23+
SMILES: CC(C)CC(=O)C1=C(C=C(C(=C1O)[C@@H]2[C@H]3C[C@H]4C[C@@H](C3=CS2(=O)=O)C4(C)C)OC)OC
InChI: InChI=1S/C24H32O6S/c1-12(2)7-17(25)20-18(29-5)10-19(30-6)21(22(20)26)23-14-8-13-9-16(24(13,3)4)15(14)11-31(23,27)28/h10-14,16,23,26H,7-9H2,1-6H3/t13-,14-,16-,23-/m0/s1
SMILES: CCOC(=O)/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OC(C#N)C2=CC=CC=C2)/F
InChI: InChI=1S/C19H20FNO4/c1-4-24-17(22)14(20)10-13-16(19(13,2)3)18(23)25-15(11-21)12-8-6-5-7-9-12/h5-10,13,15-16H,4H2,1-3H3/b14-10+/t13-,15?,16-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](C[C@@]([C@H]([C@@H]1OCC2=CC=CC=C2)OC(=O)C)(COCC3=CC=CC=C3)O)O
InChI: InChI=1S/C25H30O8/c1-17(26)32-22-21(28)13-25(29,16-30-14-19-9-5-3-6-10-19)24(33-18(2)27)23(22)31-15-20-11-7-4-8-12-20/h3-12,21-24,28-29H,13-16H2,1-2H3/t21-,22-,23+,24-,25-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CCC(=C4)O[Si](C)(C)C)C
InChI: InChI=1S/C22H36O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h6,14,17-20,23H,7-13H2,1-5H3/t17-,18-,19-,20-,21-,22-/m0/s1
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-]
InChI: InChI=1S/C24H24N2O4/c27-22(19-8-2-3-9-20(19)24(29)30)25-18-13-11-17(12-14-18)23(28)26-15-5-7-16-6-1-4-10-21(16)26/h1-4,6,10-14,19-20H,5,7-9,15H2,(H,25,27)(H,29,30)/p-1/t19-,20-/m0/s1
SMILES: C1=NN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C8H12N4O5/c9-4-1-10-12(8(16)11-4)7-6(15)5(14)3(2-13)17-7/h1,3,5-7,13-15H,2H2,(H2,9,11,16)/t3-,5+,6-,7+/m0/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)OCC(C)(CO)CO)(C)C=C)O
InChI: InChI=1S/C27H43NO8/c1-7-25(5)12-19(36-23(34)28-22(33)35-15-24(4,13-29)14-30)26(6)16(2)8-10-27(17(3)21(25)32)11-9-18(31)20(26)27/h7,16-17,19-21,29-30,32H,1,8-15H2,2-6H3,(H,28,33,34)/t16?,17-,19+,20-,21-,25+,26+,27-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H21NO5/c1-12-7-8-13(2)16(9-12)17(22)11-26-18(23)10-21-19(24)14-5-3-4-6-15(14)20(21)25/h3-4,7-9,14-15H,5-6,10-11H2,1-2H3/t14-,15+
SMILES: COC1=CC=C(C=C1)COCCC[C@H]2[C@H](COC(O2)C3=CC=CC=C3)OS(=O)(=O)C
InChI: InChI=1S/C22H28O7S/c1-25-19-12-10-17(11-13-19)15-26-14-6-9-20-21(29-30(2,23)24)16-27-22(28-20)18-7-4-3-5-8-18/h3-5,7-8,10-13,20-22H,6,9,14-16H2,1-2H3/t20-,21-,22?/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CC[C@](C(=O)C1)(C)[C@H]2CC[C@]3([C@H]([C@@H]2CC=O)CC[C@@H]3C(=O)OC)C
InChI: InChI=1S/C30H52O5Si/c1-19(2)36(20(3)4,21(5)6)35-22-12-15-30(8,27(32)18-22)25-13-16-29(7)24(23(25)14-17-31)10-11-26(29)28(33)34-9/h17,19-26H,10-16,18H2,1-9H3/t22-,23-,24-,25-,26+,29-,30+/m0/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)F)N5N2CCC5
InChI: InChI=1S/C21H19ClFN3O3/c1-29-16-6-3-2-5-13(16)18-17-19(25-10-4-9-24(18)25)21(28)26(20(17)27)12-7-8-14(22)15(23)11-12/h2-3,5-8,11,17-19H,4,9-10H2,1H3/t17-,18+,19-/m0/s1
SMILES: CC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)O)O)O
InChI: InChI=1S/C18H26O11/c1-8-2-9(20)4-10(3-8)28-16-14(23)13(22)12(21)11(29-16)5-26-17-15(24)18(25,6-19)7-27-17/h2-4,11-17,19-25H,5-7H2,1H3/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)C=CC5=CC(=O)[C@@H](C[C@]35C)C#N
InChI: InChI=1S/C23H27NO3/c1-21-12-14(13-24)19(25)11-15(21)3-4-16-17(21)5-8-22(2)18(16)6-9-23(22)10-7-20(26)27-23/h3-4,11,14,16-18H,5-10,12H2,1-2H3/t14-,16+,17-,18-,21-,22-,23+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H40O5Si2/c1-15(21)24-18-16(25-27(10,11)20(5,6)7)12-13-22-17(18)14-23-26(8,9)19(2,3)4/h12-13,16-18H,14H2,1-11H3/t16-,17-,18+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3C1[C@@H]4C[C@@H](C[C@]4(CC3)C)OC5=CC=C(C=C5)C)C
InChI: InChI=1S/C27H39NO2/c1-17-6-8-19(9-7-17)30-20-15-22-25-18(2)14-23-27(4,13-11-24(29)28(23)5)21(25)10-12-26(22,3)16-20/h6-9,18,20-23,25H,10-16H2,1-5H3/t18-,20-,21-,22-,23+,25?,26+,27+/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NC[C@@H]4COC5=CC=CC=C5O4)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C
InChI: InChI=1S/C29H37FN2O4/c1-28-13-12-20-18(8-11-25-29(20,2)14-22(30)27(34)32(25)3)19(28)9-10-21(28)26(33)31-15-17-16-35-23-6-4-5-7-24(23)36-17/h4-7,14,17-21,25H,8-13,15-16H2,1-3H3,(H,31,33)/t17-,18?,19+,20?,21-,25-,28+,29-/m1/s1
SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CC[C@@H](O5)O)C
InChI: InChI=1S/C24H34O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-21,27H,4-11,13H2,1-3H3/t17-,18-,19+,20+,21+,22-,23-,24+/m0/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H29N3O4/c1-3-24(4-2)20(27)15-9-11-16(12-10-15)23-19(26)13-14-25-21(28)17-7-5-6-8-18(17)22(25)29/h9-12,17-18H,3-8,13-14H2,1-2H3,(H,23,26)/t17-,18+
SMILES: 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=CC6=CC=CC=C6O5
InChI: InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36+/m1/s1
SMILES: C[N+]1=C2C=CC(=NN2C=C1)S/C=C/C3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)O
InChI: InChI=1S/C16H15N5O3S2/c1-19-5-6-20-11(19)3-2-10(18-20)25-7-4-9-8-26-15-12(17)14(22)21(15)13(9)16(23)24/h2-7,12,15H,8,17H2,1H3/p+1/b7-4+/t12-,15-/m1/s1
SMILES: CN1C=CC=C1C(=O)N[C@H]2C[C@H](N(C2)C(=O)CCCC(=O)N3CC[C@@H]([C@H]3C(=O)[O-])NC(=O)C4CC4)C(=O)[O-]
InChI: InChI=1S/C25H33N5O8/c1-28-10-3-4-17(28)23(34)26-15-12-18(24(35)36)30(13-15)20(32)6-2-5-19(31)29-11-9-16(21(29)25(37)38)27-22(33)14-7-8-14/h3-4,10,14-16,18,21H,2,5-9,11-13H2,1H3,(H,26,34)(H,27,33)(H,35,36)(H,37,38)/p-2/t15-,16-,18-,21-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C22H28N2O5/c1-12-9-13(2)19(14(3)10-12)23-18(25)11-29-22(28)15(4)24-20(26)16-7-5-6-8-17(16)21(24)27/h9-10,15-17H,5-8,11H2,1-4H3,(H,23,25)/t15-,16-,17-/m0/s1
SMILES: C1CCCCNC(=O)[C@H](OCCCC1)[C@@H]([C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C31H42N2O7/c34-24-19-22-15-9-10-16-23(22)25(24)33-31(38)29(40-20-21-13-7-6-8-14-21)27(36)26(35)28-30(37)32-17-11-4-2-1-3-5-12-18-39-28/h6-10,13-16,24-29,34-36H,1-5,11-12,17-20H2,(H,32,37)(H,33,38)/t24-,25+,26-,27-,28-,29-/m1/s1
SMILES: COC1=CC=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O
InChI: InChI=1S/C47H38N2O6/c1-55-39-19-11-18-38(50)42(39)43-33-24-25-34-41(46(54)49(45(34)53)32-22-20-31(21-23-32)48-30-16-9-4-10-17-30)36(33)26-37-44(52)35(28-12-5-2-6-13-28)27-40(51)47(37,43)29-14-7-3-8-15-29/h2-24,27,34,36-37,41,43,48,50H,25-26H2,1H3/t34-,36+,37-,41-,43+,47-/m0/s1
SMILES: C[C@@H](CCC=C(C)C)C1[C@H](CC2([C@@]1(CC[C@]34[C@H]2CC(=O)C5[C@]3(C4)CC[C@@H](C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)OC7C(C(C(C(O7)CO)O)O)O
InChI: InChI=1S/C42H68O13/c1-20(2)9-8-10-21(3)28-23(52-36-33(50)31(48)29(46)24(17-43)53-36)16-40(7)26-15-22(45)35-38(4,5)27(55-37-34(51)32(49)30(47)25(18-44)54-37)11-12-42(35)19-41(26,42)14-13-39(28,40)6/h9,21,23-37,43-44,46-51H,8,10-19H2,1-7H3/t21-,23-,24?,25?,26-,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39+,40?,41-,42+/m0/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
InChI: InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21+,22-,23-,24-,25-,26-,27+,28+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C(N=C(N=C43)Cl)N)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C26H24ClN5O5/c1-14-3-7-16(8-4-14)24(33)35-12-19-18(37-25(34)17-9-5-15(2)6-10-17)11-20(36-19)32-13-29-21-22(28)30-26(27)31-23(21)32/h3-10,13,18-20H,11-12H2,1-2H3,(H2,28,30,31)/t18-,19+,20+/m0/s1
SMILES: CC(=CCC/C(=C/1\C[C@H]([C@]([C@H](C1=O)O)(C)O)O)/C)C
InChI: InChI=1S/C15H24O4/c1-9(2)6-5-7-10(3)11-8-12(16)15(4,19)14(18)13(11)17/h6,12,14,16,18-19H,5,7-8H2,1-4H3/b11-10+/t12-,14+,15+/m1/s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C)C
InChI: InChI=1S/C15H18N2O5/c1-4-21-14(20)15(2)10-9(12(18)17(3)13(10)19)11(16-15)8-6-5-7-22-8/h5-7,9-11,16H,4H2,1-3H3/t9-,10+,11-,15+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1SC4=CC=CC=C4)O
InChI: InChI=1S/C21H23NO5S/c1-13(23)22-17-18(24)19-16(26-21(17)28-15-10-6-3-7-11-15)12-25-20(27-19)14-8-4-2-5-9-14/h2-11,16-21,24H,12H2,1H3,(H,22,23)/t16-,17+,18+,19+,20+,21-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)[C@]23C4=CC=CC=C4S(=O)(=O)N2O3)C(C)C
InChI: InChI=1S/C17H23NO3S/c1-11(2)13-9-8-12(3)10-15(13)17-14-6-4-5-7-16(14)22(19,20)18(17)21-17/h4-7,11-13,15H,8-10H2,1-3H3/t12-,13+,15-,17-,18?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC(=O)OCC=C)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI: InChI=1S/C40H47N5O7Si/c1-8-23-49-38(47)44-35-32-36(42-25-41-35)45(26-43-32)37-33(46)34(52-53(6,7)39(2,3)4)31(51-37)24-50-40(27-15-11-9-12-16-27,28-17-13-10-14-18-28)29-19-21-30(48-5)22-20-29/h8-22,25-26,31,33-34,37,46H,1,23-24H2,2-7H3,(H,41,42,44,47)/t31-,33-,34-,37-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@@H]([C@@H]1O)[C@H]2CC[C@@H](CO2)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C21H30O4/c1-14(2)18-9-10-19(21(18)22)20-11-8-17(13-25-20)24-12-15-4-6-16(23-3)7-5-15/h4-7,17-22H,1,8-13H2,2-3H3/t17-,18-,19+,20+,21+/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4C(=O)CCCC(=O)O)N
InChI: InChI=1S/C20H24N4O8/c1-8-14(21)17(29)13-9(7-32-19(22)30)20(31-2)18-10(6-23(20)15(13)16(8)28)24(18)11(25)4-3-5-12(26)27/h9-10,18H,3-7,21H2,1-2H3,(H2,22,30)(H,26,27)/t9-,10+,18+,20-,24?/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)S(=O)(=O)C4=C(C=C(C=C4)Cl)F
InChI: InChI=1S/C19H20ClFN2O2S/c1-12-3-5-17-14(9-12)15-11-22(2)8-7-18(15)23(17)26(24,25)19-6-4-13(20)10-16(19)21/h3-6,9-10,15,18H,7-8,11H2,1-2H3/p+1/t15-,18+/m1/s1
SMILES: CC1=NOP(=S)([C@@]12CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C/C(=N\O)/CC[C@]45C)C)C6=CC=C(C=C6)OC
InChI: InChI=1S/C28H37N2O3PS/c1-18-28(34(35,33-30-18)22-8-6-21(32-4)7-9-22)16-13-25-23-10-5-19-17-20(29-31)11-14-26(19,2)24(23)12-15-27(25,28)3/h6-9,17,23-25,31H,5,10-16H2,1-4H3/b29-20-/t23-,24+,25+,26+,27+,28+,34?/m1/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)C(C)C
InChI: InChI=1S/C26H36N2O8/c1-5-35-10-6-8-28(26(33)15(2)3)19-13-18(25(32)27-7-9-29)21-17-11-16(14-30)12-20(34-4)23(17)36-24(21)22(19)31/h11-15,19,21-22,24,29,31H,5-10H2,1-4H3,(H,27,32)/t19-,21+,22+,24+/m1/s1
SMILES: C[C@H]1[C@@H]([NH2+][C@@H](CC1=O)C2=C(C=CC(=C2)OC)OC)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C22H27NO5/c1-13-19(24)12-18(16-10-14(25-2)6-8-20(16)27-4)23-22(13)17-11-15(26-3)7-9-21(17)28-5/h6-11,13,18,22-23H,12H2,1-5H3/p+1/t13-,18+,22-/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C15H15NO5/c1-20-9-4-2-3-8(7-9)16-14(17)12-10-5-6-11(21-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/t10-,11+,12+,13+/m1/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCCC9=CC=CC=N9
InChI: InChI=1S/C51H44N4O7/c1-60-38-24-21-33(22-25-38)19-20-34-23-26-41-40(32-34)51(50(59)54-41)43(48(57)53-29-27-37-16-10-11-28-52-37)45-49(58)62-46(36-14-6-3-7-15-36)44(35-12-4-2-5-13-35)55(45)47(51)39-17-8-9-18-42(39)61-31-30-56/h2-18,21-26,28,32,43-47,56H,27,29-31H2,1H3,(H,53,57)(H,54,59)/t43-,44-,45-,46+,47+,51-/m0/s1
SMILES: C1=NC(=NN1[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5-,8+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](CC(=O)O1)C(C2=CC(=CC=C2)Cl)(SC3=CC=CC=C3)SC4=CC=CC=C4
InChI: InChI=1S/C25H21ClO4S2/c1-17(27)29-24-22(16-23(28)30-24)25(18-9-8-10-19(26)15-18,31-20-11-4-2-5-12-20)32-21-13-6-3-7-14-21/h2-15,22,24H,16H2,1H3/t22-,24-/m1/s1
SMILES: C1C=C2[C@H](C1=O)[C@H](C3=C(N2)C=CC4=CC=CC=C43)C5=CC=C(C=C5)Br
InChI: InChI=1S/C22H16BrNO/c23-15-8-5-14(6-9-15)20-21-16-4-2-1-3-13(16)7-10-17(21)24-18-11-12-19(25)22(18)20/h1-11,20,22,24H,12H2/t20-,22+/m0/s1
SMILES: CCOC(=O)C1=C(O[C@@]2(CC[C@@H]3[C@@]([C@H]2C1)(CC[C@H](C3(C)C)O)C)C)C
InChI: InChI=1S/C21H34O4/c1-7-24-18(23)14-12-16-20(5)10-9-17(22)19(3,4)15(20)8-11-21(16,6)25-13(14)2/h15-17,22H,7-12H2,1-6H3/t15-,16+,17+,20-,21+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@H]2C[C@H]3[C@@H]1CO[C@H]3[C@@H]2O
InChI: InChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-8-12-9-6-10-11(12)7-17-14(10)13(9)16/h9-14,16H,6-8H2,1-5H3/t9-,10+,11+,12+,13-,14-/m1/s1
SMILES: C[C@@]12CC[C@@]3(C(=C1[C@@H]4C(=C)CO[C@@]4(C2)OC)C[C@@H]5[C@H](C[C@]3(O5)OC)OC(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C28H34O6/c1-17-15-32-27(30-4)16-25(2)11-12-26(3)19(23(25)22(17)27)13-20-21(14-28(26,31-5)34-20)33-24(29)18-9-7-6-8-10-18/h6-10,20-22H,1,11-16H2,2-5H3/t20-,21+,22+,25+,26-,27-,28-/m1/s1
SMILES: CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OC
InChI: InChI=1S/C17H27NO10/c1-8(2)25-16-13(18-17(22)23-6)15(27-11(5)21)14(26-10(4)20)12(28-16)7-24-9(3)19/h8,12-16H,7H2,1-6H3,(H,18,22)/t12-,13-,14-,15-,16-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C#N
InChI: InChI=1S/C17H17N3O2/c1-22-17(21)11-5-13-12-3-2-4-14-16(12)10(7-19-14)6-15(13)20(8-11)9-18/h2-4,7,11,13,15,19H,5-6,8H2,1H3/t11-,13-,15-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C=C)C)OC(=O)C5=CC6=CC=CC=C6C=C5)OC(=O)C)C
InChI: InChI=1S/C41H52O8/c1-7-36(43)48-30-18-19-40(4)29(21-30)22-34(49-39(45)28-14-13-26-10-8-9-11-27(26)20-28)38-32-16-15-31(24(2)12-17-37(44)46-6)41(32,5)35(23-33(38)40)47-25(3)42/h7-11,13-14,20,24,29-35,38H,1,12,15-19,21-23H2,2-6H3/t24-,29+,30-,31-,32+,33+,34-,35+,38+,40+,41-/m1/s1
SMILES: COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3[C@@H]([C@@H](C3=O)OCC4=CC=CC=C4)[C@@H](CO)O
InChI: InChI=1S/C23H24N4O7S/c1-33-17-11-24-23(25-12-17)26-35(31,32)18-9-7-16(8-10-18)27-20(19(29)13-28)21(22(27)30)34-14-15-5-3-2-4-6-15/h2-12,19-21,28-29H,13-14H2,1H3,(H,24,25,26)/t19-,20-,21+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C41H30BrNO7/c42-25-14-17-33(44)31(19-25)36-27-15-16-28-35(39(48)43(38(28)47)26-13-7-10-23(18-26)40(49)50)30(27)20-32-37(46)29(22-8-3-1-4-9-22)21-34(45)41(32,36)24-11-5-2-6-12-24/h1-15,17-19,21,28,30,32,35-36,44H,16,20H2,(H,49,50)/t28-,30+,32-,35-,36+,41-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)CSCC4=NNN=N4
InChI: InChI=1S/C18H19N7O4S2/c19-12(9-4-2-1-3-5-9)15(26)20-13-16(27)25-14(18(28)29)10(7-31-17(13)25)6-30-8-11-21-23-24-22-11/h1-5,12-13,17H,6-8,19H2,(H,20,26)(H,28,29)(H,21,22,23,24)/t12-,13-,17-/m1/s1
SMILES: C1CCCCCC(CCCCC1)NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C24H38N2O3/c27-22(25-19-13-8-6-4-2-1-3-5-7-9-14-19)17-12-18-26-23(28)20-15-10-11-16-21(20)24(26)29/h10-11,19-21H,1-9,12-18H2,(H,25,27)/t20-,21-/m0/s1
SMILES: C(CS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)N
InChI: InChI=1S/C8H15NO6S/c9-1-2-16-8-5(12)3(10)4(11)6(15-8)7(13)14/h3-6,8,10-12H,1-2,9H2,(H,13,14)/t3-,4-,5+,6-,8-/m0/s1
SMILES: CC1=CC=CC=C1CO[N+]2=C(C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C18H21N5O5/c1-10-4-2-3-5-11(10)7-27-23-9-21-17-13(16(23)19)20-8-22(17)18-15(26)14(25)12(6-24)28-18/h2-5,8-9,12,14-15,18-19,24-26H,6-7H2,1H3/p+1/t12-,14-,15-,18-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C51H67N3O12/c1-8-26-63-51-45(54(5)49(58)62-28-27-61-33-34-16-10-9-11-17-34)32-42(53-66-50(2,3)4)39-29-35(18-12-14-24-55)38(19-13-15-25-56)46(47(39)51)40-30-37(21-23-43(40)65-51)64-48(57)52-41-22-20-36(59-6)31-44(41)60-7/h8-11,16-17,20-23,29-31,35,38,45-47,55-56H,1,12-15,18-19,24-28,32-33H2,2-7H3,(H,52,57)/t35-,38+,45-,46+,47+,51+/m0/s1
SMILES: C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)C#N)O
InChI: InChI=1S/C17H18N4O3/c18-8-11-3-4-14-13(6-11)17(24)21(10-20-14)9-12(22)7-15-16(23)2-1-5-19-15/h3-4,6,10,15-16,19,23H,1-2,5,7,9H2/t15-,16+/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CCN=[N+]=[N-])OC)OCC2=CC=CC=C2)O
InChI: InChI=1S/C17H25N3O5/c1-22-11-14-15(21)17(24-10-12-6-4-3-5-7-12)16(23-2)13(25-14)8-9-19-20-18/h3-7,13-17,21H,8-11H2,1-2H3/t13-,14+,15+,16-,17-/m0/s1
SMILES: C[C@H](/C=C/[C@@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12+/t18-,19-,23-,24-,25+,26-,28-/m1/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OC3CC[C@]4([C@H](C3)CC[C@@H]5[C@@H]4CC[C@]6([C@H]5CCC6[C@H](C)CC[C@@H](CC)C(C)C)C)C)O)O)O
InChI: InChI=1S/C52H86O7/c1-10-32(5)50(57)59-47-29-39(54)26-36-15-12-33(6)42(49(36)47)19-17-38(53)28-40(55)30-48(56)58-41-22-24-51(8)37(27-41)16-18-43-45-21-20-44(52(45,9)25-23-46(43)51)34(7)13-14-35(11-2)31(3)4/h12,15,26,31-35,37-47,49,53-55H,10-11,13-14,16-25,27-30H2,1-9H3/t32-,33-,34+,35+,37-,38+,39+,40+,41?,42-,43-,44?,45-,46-,47-,49-,51-,52+/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O
InChI: InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/t19-,23+,24-,25+,28+,31+,32+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](OC2(O1)CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CCC(C5)O[Si](C)(C)C(C)(C)C)C)C)C(=O)OCC
InChI: InChI=1S/C33H54O7Si/c1-10-36-28(34)26-27(29(35)37-11-2)39-33(38-26)19-16-25-23-13-12-21-20-22(40-41(8,9)30(3,4)5)14-17-31(21,6)24(23)15-18-32(25,33)7/h12,22-27H,10-11,13-20H2,1-9H3/t22?,23-,24+,25+,26-,27-,31+,32+/m1/s1
SMILES: CCCCC[C@@H]1CC[C@@H](C[C@@H]1O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C23H30O/c1-2-3-5-10-21-15-16-22(17-23(21)24)20-13-11-19(12-14-20)18-8-6-4-7-9-18/h4,6-9,11-14,21-24H,2-3,5,10,15-17H2,1H3/t21-,22+,23+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OCO[C@H]2C=CC3=C([C@@H]2OCO[C@@H]4C[C@@H](CC[C@H]4C(C)C)C)C=C5C=CC6=C7C5=C3C=CC7=CC=C6)C(C)C
InChI: InChI=1S/C42H54O4/c1-25(2)32-15-10-27(5)20-38(32)44-23-43-37-19-18-34-35-17-14-30-9-7-8-29-12-13-31(41(35)40(29)30)22-36(34)42(37)46-24-45-39-21-28(6)11-16-33(39)26(3)4/h7-9,12-14,17-19,22,25-28,32-33,37-39,42H,10-11,15-16,20-21,23-24H2,1-6H3/t27-,28-,32+,33+,37+,38-,39-,42+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COCC(=O)CCl)OP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C12H17ClN2O13P2/c13-3-6(16)4-25-5-7-10(27-30(23,24)28-29(20,21)22)9(18)11(26-7)15-2-1-8(17)14-12(15)19/h1-2,7,9-11,18H,3-5H2,(H,23,24)(H,14,17,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C16H17NO3/c1-9-4-2-3-5-12(9)17-15(18)13-10-6-7-11(8-10)14(13)16(19)20/h2-7,10-11,13-14H,8H2,1H3,(H,17,18)(H,19,20)/t10-,11+,13-,14-/m0/s1