EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@H](CC[C@]2([C@H]1[C@](CC[C@@H]2O[Si](C)(C)C(C)(C)C)(C)O)C)O
InChI: InChI=1S/C19H38O3Si/c1-13-14(20)9-11-18(5)15(10-12-19(6,21)16(13)18)22-23(7,8)17(2,3)4/h13-16,20-21H,9-12H2,1-8H3/t13-,14+,15+,16+,18-,19-/m1/s1
SMILES: CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@H]4C=C[C@]3([C@H]2OC(=O)C(C)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O
InChI: InChI=1S/C35H30O12/c1-13(2)33(44)47-32-17-9-14(3)10-20(38)23(17)31(43)27-28(40)16-7-8-35(27,32)12-15-11-21(39)26(29(41)22(15)16)30(42)24-18(36)5-6-19(37)25(24)34(45)46-4/h5-11,13,16,32,36-39,41,43H,12H2,1-4H3/t16-,32-,35-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC6=C(C=C5)OCO6)CCOCCOCCO
InChI: InChI=1S/C35H38N2O8S/c1-3-42-35-26(12-14-40-16-17-41-15-13-38)27(24-7-11-29-30(19-24)44-21-43-29)20-31(45-35)33(39)36-25-8-5-23(6-9-25)34-37-28-10-4-22(2)18-32(28)46-34/h4-11,18-20,26-27,35,38H,3,12-17,21H2,1-2H3,(H,36,39)/t26-,27-,35-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4
InChI: InChI=1S/C20H26N6O4/c1-14-5-2-3-6-15(14)26-18(29)17(28)25(20(26)30)13-16(27)23-9-11-24(12-10-23)19-21-7-4-8-22-19/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3/t14-,15+/m0/s1
SMILES: CCOC1=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)NC6=CC=C(C=C6)C)C7=CC=CC=C7)C(=O)N(C4=O)N(C)C8=C(C=CC(=N8)C(F)(F)F)Cl)O
InChI: InChI=1S/C42H37ClF3N5O6/c1-4-57-32-20-23(12-18-31(32)52)35-26-15-16-27-34(39(55)51(37(27)53)49(3)36-30(43)17-19-33(47-36)42(44,45)46)28(26)21-29-38(54)50(48-25-13-10-22(2)11-14-25)40(56)41(29,35)24-8-6-5-7-9-24/h5-15,17-20,27-29,34-35,48,52H,4,16,21H2,1-3H3/t27-,28+,29-,34-,35-,41+/m0/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(C=CC(=C6)Br)O)Cl)C)Cl)Cl
InChI: InChI=1S/C28H22BrCl3N2O5/c1-12-3-5-14(10-19(12)30)34-23(36)16-7-6-15-18(21(16)24(34)37)11-27(31)25(38)33(2)26(39)28(27,32)22(15)17-9-13(29)4-8-20(17)35/h3-6,8-10,16,18,21-22,35H,7,11H2,1-2H3/t16-,18+,21-,22+,27+,28-/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O
InChI: InChI=1S/C15H15NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h1-5,8,11-12H,6-7H2,(H,16,17)(H,18,19)(H,20,21)/t11-,12+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2(CCC[C@]3([C@H]2CCC4=C3C=C(C=C4)OC)C)C
InChI: InChI=1S/C25H32O4S/c1-18-6-11-21(12-7-18)30(26,27)29-17-24(2)14-5-15-25(3)22-16-20(28-4)10-8-19(22)9-13-23(24)25/h6-8,10-12,16,23H,5,9,13-15,17H2,1-4H3/t23-,24+,25+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C(=[N+](O1)[O-])C(=O)OC)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C13H12ClNO6/c1-19-12(16)10-9(7-3-5-8(14)6-4-7)11(13(17)20-2)21-15(10)18/h3-6,9,11H,1-2H3/t9-,11-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C=CC6=C(C=CC(=C6)OC)OC)C7=C(C=CC(=C7)Br)O
InChI: InChI=1S/C39H32BrNO7/c1-20-16-32(43)30-19-28-26(34(36(30)37(20)44)29-18-23(40)8-14-31(29)42)12-13-27-35(28)39(46)41(38(27)45)24-9-5-21(6-10-24)4-7-22-17-25(47-2)11-15-33(22)48-3/h4-12,14-18,27-28,34-35,42H,13,19H2,1-3H3/t27-,28+,34+,35-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCN4CC5=CC=C(C=C5)CN)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C24H31N5O4S/c1-13-19-18(14(2)30)22(31)29(19)20(23(32)33)21(13)34-17-11-28(12-17)24-26-7-8-27(24)10-16-5-3-15(9-25)4-6-16/h3-6,13-14,17-19,30H,7-12,25H2,1-2H3,(H,32,33)/t13-,14-,18-,19-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(O[C@@H]1CS(=O)(=O)C2=CC=C(C=C2)C)(C)C)CC=C
InChI: InChI=1S/C18H26O4S/c1-6-7-16-14(3)17(22-18(4,5)21-16)12-23(19,20)15-10-8-13(2)9-11-15/h6,8-11,14,16-17H,1,7,12H2,2-5H3/t14-,16+,17-/m1/s1
SMILES: CCC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H]3CCC(=O)N([C@@H]3C4=CC=CS4)C5=CC=C(C=C5)C
InChI: InChI=1S/C26H25N3O2S2/c1-3-17-8-12-20-22(15-17)33-26(27-20)28-25(31)19-11-13-23(30)29(18-9-6-16(2)7-10-18)24(19)21-5-4-14-32-21/h4-10,12,14-15,19,24H,3,11,13H2,1-2H3,(H,27,28,31)/t19-,24+/m1/s1
SMILES: CC(C)OC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C19H21NO4/c1-10(2)24-19(23)13-4-3-5-14(9-13)20-17(21)15-11-6-7-12(8-11)16(15)18(20)22/h3-5,9-12,15-16H,6-8H2,1-2H3/t11-,12-,15-,16-/m0/s1
SMILES: C[C@H]([C@H]([C@@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4([C@@H]5[C@@]3(C[C@@H]6[C@H](C5)OC(O6)(C)C)C)OCCO4)C)O)O)OCOC)C(C)C
InChI: InChI=1S/C35H60O8/c1-20(2)21(3)29(39-19-38-9)30(36)34(8,37)27-11-10-23-22-17-35(40-14-15-41-35)28-16-25-26(43-31(4,5)42-25)18-33(28,7)24(22)12-13-32(23,27)6/h20-30,36-37H,10-19H2,1-9H3/t21-,22-,23-,24-,25-,26+,27-,28-,29+,30-,32-,33+,34+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC=CC4)CO
InChI: InChI=1S/C19H30O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h2-3,13-17,20-21H,4-12H2,1H3/t13-,14+,15+,16+,17+,18+,19-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)CO)O
InChI: InChI=1S/C25H25N5O6/c1-34-17-9-7-15(8-10-17)12-35-21-20(32)18(11-31)36-25(21)30-14-28-19-22(26-13-27-23(19)30)29-24(33)16-5-3-2-4-6-16/h2-10,13-14,18,20-21,25,31-32H,11-12H2,1H3,(H,26,27,29,33)/t18-,20-,21-,25-/m1/s1
SMILES: CCC1=CC=C(C=C1)CC2=C(N(N=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4CCCOC4)C
InChI: InChI=1S/C24H34N2O7/c1-3-15-6-8-16(9-7-15)11-18-14(2)26(17-5-4-10-31-13-17)25-23(18)33-24-22(30)21(29)20(28)19(12-27)32-24/h6-9,17,19-22,24,27-30H,3-5,10-13H2,1-2H3/t17?,19-,20-,21+,22-,24+/m1/s1
SMILES: CCOC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(=O)OCC
InChI: InChI=1S/C20H23NO7/c1-3-27-19(25)12-9-13(20(26)28-4-2)11-14(10-12)21-17(22)15-7-5-6-8-16(15)18(23)24/h5-6,9-11,15-16H,3-4,7-8H2,1-2H3,(H,21,22)(H,23,24)/t15-,16+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C\2/C[C@@H]3[C@@H]2CC=C3
InChI: InChI=1S/C18H22N2O/c1-18(2,3)14-9-7-12(8-10-14)17(21)20-19-16-11-13-5-4-6-15(13)16/h4-5,7-10,13,15H,6,11H2,1-3H3,(H,20,21)/b19-16-/t13-,15+/m1/s1
SMILES: CCOC1=C2[C@@H]3C4[C@H]5C6=C(C[C@H](N5C)[C@@H](N4[C@H](C2=C7C(=C1C)OCO7)COC(=O)[C@@]8(CS3)C9=CC(=C(C=C9CCN8)O)OC)C#N)C=C(C(=C6OCC)OC)C
InChI: InChI=1S/C42H48N4O9S/c1-8-51-36-21(4)37-39(55-19-54-37)31-27-17-53-41(48)42(24-15-29(49-6)28(47)14-22(24)10-11-44-42)18-56-40(32(31)36)34-33-30-23(12-20(3)35(50-7)38(30)52-9-2)13-25(45(33)5)26(16-43)46(27)34/h12,14-15,25-27,33-34,40,44,47H,8-11,13,17-19H2,1-7H3/t25-,26-,27-,33+,34?,40+,42+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)[O-]
InChI: InChI=1S/C15H15F3N2O6/c1-2-26-12(23)9-10(7-3-5-8(6-4-7)11(21)22)19-13(24)20-14(9,25)15(16,17)18/h3-6,9-10,25H,2H2,1H3,(H,21,22)(H2,19,20,24)/p-1/t9-,10+,14+/m0/s1
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@H]4[C@@H]5C[C@@H]5[C@H]([C@]4(CC3)C)CO
InChI: InChI=1S/C21H30O2/c1-11-7-12-8-13(23)3-4-14(12)15-5-6-21(2)18(10-22)16-9-17(16)20(21)19(11)15/h8,11,14-20,22H,3-7,9-10H2,1-2H3/t11-,14+,15-,16+,17-,18-,19-,20-,21-/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@]3(CCCC([C@@H]3[C@H](C[C@]2(O1)C)O)(C)C)C)C=C
InChI: InChI=1S/C20H34O2/c1-7-18(4)12-9-15-19(5)11-8-10-17(2,3)16(19)14(21)13-20(15,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15+,16-,18-,19+,20+/m0/s1
SMILES: C[C@@H]1[C@H]([NH2+][C@@H]([C@@H](C1(CC=C)O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H27NO/c1-4-15-22(24)16(2)20(18-11-7-5-8-12-18)23-21(17(22)3)19-13-9-6-10-14-19/h4-14,16-17,20-21,23-24H,1,15H2,2-3H3/p+1/t16-,17+,20-,21-,22?/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CC[C@H]3CCCC[C@H]3C2
InChI: InChI=1S/C19H27N3O4S/c1-14(23)21-17-6-8-18(9-7-17)27(25,26)20-12-19(24)22-11-10-15-4-2-3-5-16(15)13-22/h6-9,15-16,20H,2-5,10-13H2,1H3,(H,21,23)/t15-,16+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O5/c1-12-6-2-5-9-15(12)20-16(22)11-26-17(23)10-21-18(24)13-7-3-4-8-14(13)19(21)25/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,20,22)/t13-,14+
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5)O
InChI: InChI=1S/C24H19ClN2O5/c1-31-19-13-14(11-12-18(19)28)21-20-22(32-27(21)15-7-3-2-4-8-15)24(30)26(23(20)29)17-10-6-5-9-16(17)25/h2-13,20-22,28H,1H3/t20-,21-,22-/m0/s1
SMILES: CC(C)(C)[C@H](C(=O)N(C)CC1=CC=CC=C1)NC(=S)N[C@@H]2CCCC[C@H]2N(C)C
InChI: InChI=1S/C23H38N4OS/c1-23(2,3)20(21(28)27(6)16-17-12-8-7-9-13-17)25-22(29)24-18-14-10-11-15-19(18)26(4)5/h7-9,12-13,18-20H,10-11,14-16H2,1-6H3,(H2,24,25,29)/t18-,19-,20+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC=C(C4)O)C)C
InChI: InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h10,15-16,18-21,25H,4-9,11-14H2,1-3H3,(H,26,27)/t15-,16?,18+,19-,20+,21+,23+,24-/m1/s1
SMILES: C1C[C@H]([C@H](C[C@@H]1CC2=CC=CC=C2)O)CC3=CC=CC=C3
InChI: InChI=1S/C20H24O/c21-20-15-18(13-16-7-3-1-4-8-16)11-12-19(20)14-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20-/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4CC[C@H](C[C@@H]4C3=O)C
InChI: InChI=1S/C24H26N2O3/c1-3-16-7-4-5-10-21(16)25-22(27)17-8-6-9-18(14-17)26-23(28)19-12-11-15(2)13-20(19)24(26)29/h4-10,14-15,19-20H,3,11-13H2,1-2H3,(H,25,27)/t15-,19+,20+/m1/s1
SMILES: CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC2=C(C=C(C=C2)C)C
InChI: InChI=1S/C20H27NO3/c1-5-15(4)24-20(23)17-9-7-6-8-16(17)19(22)21-18-11-10-13(2)12-14(18)3/h6-7,10-12,15-17H,5,8-9H2,1-4H3,(H,21,22)/t15-,16+,17+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)N(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C23H29N3O5/c1-15(26-21(28)18-7-5-6-8-19(18)22(26)29)23(30)31-14-20(27)25(4)13-16-9-11-17(12-10-16)24(2)3/h5-6,9-12,15,18-19H,7-8,13-14H2,1-4H3/t15-,18-,19-/m0/s1
SMILES: CCC/C=[N+](/[C@@H]1C[C@H](O[C@H]1CO[Si](C)(C)C(C)(C)C)N2C=C(C(=O)NC2=O)C)\[O-]
InChI: InChI=1S/C20H35N3O5Si/c1-8-9-10-23(26)15-11-17(22-12-14(2)18(24)21-19(22)25)28-16(15)13-27-29(6,7)20(3,4)5/h10,12,15-17H,8-9,11,13H2,1-7H3,(H,21,24,25)/b23-10-/t15-,16+,17+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4
InChI: InChI=1S/C23H33N3O2/c27-22(16-26-14-13-17-7-1-2-8-18(17)15-26)25-21-12-6-5-11-20(21)23(28)24-19-9-3-4-10-19/h5-6,11-12,17-19H,1-4,7-10,13-16H2,(H,24,28)(H,25,27)/t17-,18-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=C3C(=O)OC)CCC(=O)C
InChI: InChI=1S/C19H21N3O6/c1-4-28-13-7-5-12(6-8-13)22-17(24)14-15(19(26)27-3)20-21(10-9-11(2)23)16(14)18(22)25/h5-8,14,16H,4,9-10H2,1-3H3/t14-,16-/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)CN4CCC[C@H]4CN5CCCC5
InChI: InChI=1S/C30H41N3O4/c1-21-28(19-33-16-6-9-27(33)18-32-14-3-4-15-32)36-30(25-7-5-8-26(17-25)31-22(2)35)37-29(21)24-12-10-23(20-34)11-13-24/h5,7-8,10-13,17,21,27-30,34H,3-4,6,9,14-16,18-20H2,1-2H3,(H,31,35)/t21-,27+,28+,29+,30+/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[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/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/p-1/t15-,17+,18+,19+,20-,21+,23+,24-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2/C=N\NC(=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C19H20N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-7,12-13,15-16H,8-11H2,(H,21,22)/b20-12-/t13-,15-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCCN3[C@@H]([C@H](C(=O)NCCC2)OS3(=O)=O)C4=CC=CC=C4
InChI: InChI=1S/C23H29N3O6S2/c1-18-10-12-20(13-11-18)33(28,29)25-15-5-6-17-26-21(19-8-3-2-4-9-19)22(32-34(26,30)31)23(27)24-14-7-16-25/h2-4,8-13,21-22H,5-7,14-17H2,1H3,(H,24,27)/t21-,22-/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@H]4[C@@H](C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C25H16BrNO4/c26-25-17-10-3-1-8-15(17)19(16-9-2-4-11-18(16)25)20-21(25)23(29)27(22(20)28)14-7-5-6-13(12-14)24(30)31/h1-12,19-21H,(H,30,31)/t19?,20-,21+,25?/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O)C[S@@](=O)/C=C/C(=O)OC)C
InChI: InChI=1S/C14H22O4S/c1-13(2)10-4-6-14(13,11(15)8-10)9-19(17)7-5-12(16)18-3/h5,7,10-11,15H,4,6,8-9H2,1-3H3/b7-5+/t10-,11-,14-,19+/m1/s1
SMILES: C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@@]2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C)O
InChI: InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25,28,30,33,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14-/t17-,23-,25-,28-,30+,32+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)C2(CC[C@H]3[C@@H]2CN([C@@H]3C(=O)OCC)C(=O)OCC4=CC=CC=C4)O
InChI: InChI=1S/C28H35NO6/c1-3-5-17-34-22-13-11-21(12-14-22)28(32)16-15-23-24(28)18-29(25(23)26(30)33-4-2)27(31)35-19-20-9-7-6-8-10-20/h6-14,23-25,32H,3-5,15-19H2,1-2H3/t23-,24-,25-,28?/m0/s1
SMILES: C1=CC2=C(C=C1O)OC(=O)[C@@H]3[C@H]2C4=C(NC(=O)S4)S[C@@H]3C(=O)O
InChI: InChI=1S/C14H9NO6S2/c16-4-1-2-5-6(3-4)21-13(19)8-7(5)9-11(15-14(20)23-9)22-10(8)12(17)18/h1-3,7-8,10,16H,(H,15,20)(H,17,18)/t7-,8+,10-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C20H25N3O7/c1-12-4-2-3-5-14(12)22-20(27)23-17(24)10-28-18(25)9-21-19(26)13-6-7-15-16(8-13)30-11-29-15/h6-8,12,14H,2-5,9-11H2,1H3,(H,21,26)(H2,22,23,24,27)/t12-,14+/m0/s1
SMILES: CN(CC(=O)NOCC1=CC=CC=C1)C(=O)[C@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C18H24N2O5/c1-20(17(22)14-9-5-6-10-15(14)18(23)24)11-16(21)19-25-12-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,19,21)(H,23,24)/t14-,15-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/C=C/C[C@@H]2CCC3([C@@]2(C)C(=O)OC)OCCO3
InChI: InChI=1S/C20H26O6S/c1-15-6-8-17(9-7-15)27(22,23)14-4-5-16-10-11-20(25-12-13-26-20)19(16,2)18(21)24-3/h4,6-9,14,16H,5,10-13H2,1-3H3/b14-4+/t16-,19-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC(=CC=C4)[Si](C(C)C)(C(C)C)Cl)OCC5=CC=CC=C5
InChI: InChI=1S/C35H45ClO5SSi/c1-6-42-35-33(38-21-26-14-9-7-10-15-26)32(31-30(40-35)23-39-34(41-31)28-17-11-8-12-18-28)37-22-27-16-13-19-29(20-27)43(36,24(2)3)25(4)5/h7-20,24-25,30-35H,6,21-23H2,1-5H3/t30-,31-,32+,33-,34-,35+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.CC(C)(C)C(=O)O
InChI: InChI=1S/C18H24O2.C5H10O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-5(2,3)4(6)7/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1-3H3,(H,6,7)/t14-,15-,16+,17+,18+;/m1./s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)[C@@H]4CC5(C[C@@H]6C[C@H]5C=C6)C(=[Cr])O4)C
InChI: InChI=1S/C21H28O6.Cr/c1-19(2)24-15-14(23-18-17(16(15)25-19)26-20(3,4)27-18)13-9-21(10-22-13)8-11-5-6-12(21)7-11;/h5-6,11-18H,7-9H2,1-4H3;/t11-,12+,13-,14+,15-,16-,17+,18+,21?;/m0./s1
SMILES: CC1([C@@H](C[C@H]2[C@H](O[C@@H]1O2)CO)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-8-10-11(9-16)18-13(17-10)15(12,4)5/h10-13,16H,8-9H2,1-7H3/t10-,11+,12+,13-/m0/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)Br)CC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C29H32BrNO5/c1-18-23-9-10-25(35-17-20-6-5-8-22(30)14-20)19(2)27(23)36-28(33)24(18)15-26(32)31-13-12-29(34)11-4-3-7-21(29)16-31/h5-6,8-10,14,21,34H,3-4,7,11-13,15-17H2,1-2H3/t21-,29+/m1/s1
SMILES: C[C@@]1([C@@H](C[C@@H]([C@@](O1)(C)C=O)O[Si](C)(C)C(C)(C)C)OCC2=CC=CC=C2)CCOCC3=CC=CC=C3
InChI: InChI=1S/C30H44O5Si/c1-28(2,3)36(6,7)34-27-20-26(33-22-25-16-12-9-13-17-25)29(4,35-30(27,5)23-31)18-19-32-21-24-14-10-8-11-15-24/h8-17,23,26-27H,18-22H2,1-7H3/t26-,27+,29+,30-/m1/s1
SMILES: C1CC[C@]2([C@H](C1)[C@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)N5CCCC5
InChI: InChI=1S/C23H28N2O/c1-3-11-19(12-4-1)22-21-15-7-8-16-23(21,24-17-9-10-18-24)26-25(22)20-13-5-2-6-14-20/h1-6,11-14,21-22H,7-10,15-18H2/t21-,22-,23+/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)C4=CC=CC(=C4)CNC(=O)[C@H](C)OC(=O)C)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C44H48N2O6/c1-28-41(26-46(5)29(2)38-22-19-34-10-6-7-11-40(34)24-38)51-44(52-42(28)36-15-13-32(27-47)14-16-36)37-20-17-35(18-21-37)39-12-8-9-33(23-39)25-45-43(49)30(3)50-31(4)48/h6-24,28-30,41-42,44,47H,25-27H2,1-5H3,(H,45,49)/t28-,29+,30-,41+,42+,44+/m0/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@]23[C@@]1(C[C@@H]([C@@]2(CC3)C)Br)C)C
InChI: InChI=1S/C15H23BrO/c1-9-7-11(17)10(2)15-6-5-13(15,3)12(16)8-14(9,15)4/h9-10,12H,5-8H2,1-4H3/t9-,10-,12-,13-,14+,15+/m0/s1
SMILES: C1=CC=C(C(=C1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H17NO6/c13-6-3-1-2-4-7(6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: C/C(=C/C=C/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CCC(C3(C)C(=O)O)O)C)C)/C)/C=C/C(C(C)(C)O)OC
InChI: InChI=1S/C31H46O6/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35)/b11-9+,13-12+,19-10-,26-20+/t22-,23+,24?,25?,29+,30+,31?/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CBr)OC(=O)/C=N/N(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C30H31BrN2O6/c1-30(2)38-28-27(35-20-21-12-6-3-7-13-21)26(37-29(28)39-30)24(18-31)36-25(34)19-32-33(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,24,26-29H,18,20H2,1-2H3/b32-19+/t24-,26+,27-,28+,29+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C
InChI: InChI=1S/C33H52O8/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-33(24,25)5)11-12-22-16-23(17-26(34)20(22)4)40-32-29(37)27(35)28(36)30(41-32)31(38)39/h11-12,18-19,23-30,32,34-37H,4,6-10,13-17H2,1-3,5H3,(H,38,39)/b21-11+,22-12+/t19-,23?,24-,25?,26?,27+,28+,29-,30+,32+,33-/m1/s1
SMILES: CC(=O)O[C@@H]([C@H]1COC=C1[C@@]2(CC[C@@H]3[C@H]2C(=C)CCCC3(C)C)C)C(=O)OC
InChI: InChI=1S/C23H34O5/c1-14-8-7-10-22(3,4)17-9-11-23(5,19(14)17)18-13-27-12-16(18)20(21(25)26-6)28-15(2)24/h13,16-17,19-20H,1,7-12H2,2-6H3/t16-,17+,19+,20-,23-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C)[C@@H]5[C@H](OC(O5)(C)C)[C@@H](C)C(C)C
InChI: InChI=1S/C31H50O3/c1-18(2)19(3)27-28(34-29(5,6)33-27)20(4)22-12-13-23-21-17-26(32)25-11-9-10-15-30(25,7)24(21)14-16-31(22,23)8/h9-10,18-25,27-28H,11-17H2,1-8H3/t19-,20-,21-,22+,23-,24-,25+,27+,28+,30+,31+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC34CCC(C3)CC4)N=[N+]=[N-]
InChI: InChI=1S/C17H22N5O6P/c1-10-8-22(16(24)19-15(10)23)14-6-12(20-21-18)13(27-14)9-26-29(25)28-17-4-2-11(7-17)3-5-17/h8,11-14H,2-7,9H2,1H3/p+1/t11?,12-,13+,14+,17?/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@H]1CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)S(=O)(=O)N)S(=O)(=O)N
InChI: InChI=1S/C18H26N2O4S2/c1-18-9-8-17(26(20,23)24)16(18)7-5-14-13-4-3-12(25(19,21)22)10-11(13)2-6-15(14)18/h3-4,10,14-17H,2,5-9H2,1H3,(H2,19,21,22)(H2,20,23,24)/t14-,15-,16+,17+,18-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3C[C@@H]([C@H](O[C@@H]3OC)CO)O
InChI: InChI=1S/C23H32O5Si/c1-23(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)28-20-15-19(25)21(16-24)27-22(20)26-4/h5-14,19-22,24-25H,15-16H2,1-4H3/t19-,20-,21+,22-/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=NC=CC5=C4C=CC(=C5)OC)NC(=O)OC(C)(C)C
InChI: InChI=1S/C37H45Cl2N5O8S2/c1-9-22-18-37(22,33(47)43-54(49,50)28-17-25(38)30(39)53-28)42-31(45)27-15-20(14-26-24-11-10-23(51-8)16-21(24)12-13-40-26)19-44(27)32(46)29(35(2,3)4)41-34(48)52-36(5,6)7/h9-13,16-17,20,22,27,29H,1,14-15,18-19H2,2-8H3,(H,41,48)(H,42,45)(H,43,47)/t20-,22-,27+,29-,37-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CNC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C18H25ClN4O2S/c1-11-6-5-9-15(12(11)2)21-18(26)23-22-16(24)10-20-17(25)13-7-3-4-8-14(13)19/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,20,25)(H,22,24)(H2,21,23,26)/t11-,12+,15-/m0/s1
SMILES: CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
InChI: InChI=1S/C18H23N3O/c1-2-6-21-10-12(18(19)22)7-14-13-4-3-5-15-17(13)11(9-20-15)8-16(14)21/h3-5,9,12,14,16,20H,2,6-8,10H2,1H3,(H2,19,22)/t12-,14-,16-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5)O)OC)Cl)CBr)Cl
InChI: InChI=1S/C21H19BrCl2N4O6/c1-25-18(32)27-6-5-11-13(28(27)19(25)33)8-20(23)16(30)26(9-22)17(31)21(20,24)15(11)12-4-3-10(29)7-14(12)34-2/h3-5,7,13,15,29H,6,8-9H2,1-2H3/t13-,15-,20-,21+/m1/s1
SMILES: C1C(NC(=S)N=C1C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C22H23ClN2O6S/c23-13-3-1-2-12(8-13)16-9-15(24-22(32)25-16)11-4-6-14(7-5-11)30-21-20(29)19(28)18(27)17(10-26)31-21/h1-8,16-21,26-29H,9-10H2,(H,25,32)/t16?,17-,18-,19+,20-,21-/m1/s1
SMILES: C[C@@H](C1CC[C@@]([C@@]2([C@]1(C)C(=O)/C=C/3\C=CC(=O)OC3(C)C)[C@@H](O2)C(=O)OC)(C)C(=O)C4=COC=C4)O
InChI: InChI=1S/C27H32O9/c1-15(28)18-9-11-25(4,21(31)16-10-12-34-14-16)27(22(36-27)23(32)33-6)26(18,5)19(29)13-17-7-8-20(30)35-24(17,2)3/h7-8,10,12-15,18,22,28H,9,11H2,1-6H3/b17-13+/t15-,18?,22-,25-,26-,27+/m0/s1
SMILES: CC[C@H]([C@H]1C[C@@H]([C@H](C[C@@H]([C@@H](O1)C/C=C/C#C)Cl)Cl)OC(=O)C)Br
InChI: InChI=1S/C17H23BrCl2O3/c1-4-6-7-8-15-13(19)9-14(20)17(22-11(3)21)10-16(23-15)12(18)5-2/h1,6-7,12-17H,5,8-10H2,2-3H3/b7-6+/t12-,13+,14+,15+,16-,17+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC#N
InChI: InChI=1S/C18H21N3OS/c1-12-6-5-9-16(13(12)2)21-17(22)14-7-3-4-8-15(14)20-18(21)23-11-10-19/h3-4,7-8,12-13,16H,5-6,9,11H2,1-2H3/t12-,13+,16-/m0/s1
SMILES: CC1=C(C=C(C=C1)/C=C/2\CN3[C@H]4CC[C@@H]3[C@H]([C@@H]2C4)COC(=O)C5=CC=CC=C5)Cl
InChI: InChI=1S/C25H26ClNO2/c1-16-7-8-17(12-23(16)26)11-19-14-27-20-9-10-24(27)22(21(19)13-20)15-29-25(28)18-5-3-2-4-6-18/h2-8,11-12,20-22,24H,9-10,13-15H2,1H3/b19-11+/t20-,21+,22-,24+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CC[NH2+]2)O
InChI: InChI=1S/C16H23NO2/c1-19-13-7-5-12(6-8-13)15-14-4-2-3-9-16(14,18)10-11-17-15/h5-8,14-15,17-18H,2-4,9-11H2,1H3/p+1/t14-,15-,16-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=CC=C2F
InChI: InChI=1S/C20H26FNO3/c1-13-7-6-10-18(14(13)2)22-20(24)15(3)25-19(23)12-11-16-8-4-5-9-17(16)21/h4-5,8-9,11-15,18H,6-7,10H2,1-3H3,(H,22,24)/b12-11+/t13-,14+,15+,18-/m0/s1
SMILES: CC(C)(C)CC1=N[C@H]([C@@H](N1CC2=CC=CC=C2)N(C)C)N(C)C
InChI: InChI=1S/C19H32N4/c1-19(2,3)13-16-20-17(21(4)5)18(22(6)7)23(16)14-15-11-9-8-10-12-15/h8-12,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1
SMILES: CC(=O)[C@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)OC)N2C(=O)OC(C)(C)C
InChI: InChI=1S/C15H23NO5/c1-8(17)11-9-6-7-10(12(11)13(18)20-5)16(9)14(19)21-15(2,3)4/h9-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m0/s1
SMILES: CC(=CCC/C(=C/CC[C@H]1[C@H]2CC[C@@H]3[C@H]2[C@@H](O[C@H]3OC)OC1=O)/C)C
InChI: InChI=1S/C21H32O4/c1-13(2)7-5-8-14(3)9-6-10-16-15-11-12-17-18(15)21(24-19(16)22)25-20(17)23-4/h7,9,15-18,20-21H,5-6,8,10-12H2,1-4H3/b14-9+/t15-,16+,17-,18+,20-,21-/m1/s1
SMILES: C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CC[C@@H]2OC(=O)C5=C(C=CC(=C5)S(=O)(=O)N)Cl
InChI: InChI=1S/C25H30ClNO5S/c1-25-11-10-18-17-6-3-15(28)12-14(17)2-5-19(18)21(25)7-9-23(25)32-24(29)20-13-16(33(27,30)31)4-8-22(20)26/h4,8,12-13,17-19,21,23H,2-3,5-7,9-11H2,1H3,(H2,27,30,31)/t17-,18?,19?,21?,23-,25-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]
InChI: InChI=1S/C20H20N4O6/c25-19-7-5-15(23(27)28)9-13(19)11-21-17-3-1-2-4-18(17)22-12-14-10-16(24(29)30)6-8-20(14)26/h5-12,17-18,25-26H,1-4H2/p-2/t17-,18-/m1/s1
SMILES: C1C2C3=CC=CC=C3C([C@]14[C@@H](C=CC4=O)O)C5=CC=CC=C25
InChI: InChI=1S/C20H16O2/c21-17-9-10-18(22)20(17)11-16-12-5-1-3-7-14(12)19(20)15-8-4-2-6-13(15)16/h1-10,16-17,19,21H,11H2/t16?,17-,19?,20+/m1/s1
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3=CC(=C(C=C3)O[C@@H]4C[C@@H]5CC[C@]4(C5(C)C)C)F
InChI: InChI=1S/C28H27F4NO4/c1-5-36-26(35)17-13-33(24-16(25(17)34)12-19(30)22(31)23(24)32)15-6-7-20(18(29)11-15)37-21-10-14-8-9-28(21,4)27(14,2)3/h6-7,11-14,21H,5,8-10H2,1-4H3/t14-,21+,28+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=NC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC6=C(S5)SC=C6
InChI: InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-18-25-10-15-46-35(25)47-28)13-14-41(30)20-27(42)17-26(16-23-8-11-37-12-9-23)33(44)38-32-29-7-5-4-6-24(29)19-31(32)43/h4-12,15,18,26-27,30-32,42-43H,13-14,16-17,19-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1
SMILES: CC(C)C[C@H]1C(=O)N2[C@H](N1C(=O)OCC3=CC=CC=C3)[C@@](C4=CC=CC=C42)(C[C@H]5C6=NC7=CC=CC=C7C(=O)N6C8=CC=CC=C8C(=O)N5)OC
InChI: InChI=1S/C40H37N5O6/c1-24(2)21-33-37(48)44-32-20-12-9-17-28(32)40(50-3,38(44)45(33)39(49)51-23-25-13-5-4-6-14-25)22-30-34-41-29-18-10-7-15-26(29)36(47)43(34)31-19-11-8-16-27(31)35(46)42-30/h4-20,24,30,33,38H,21-23H2,1-3H3,(H,42,46)/t30-,33-,38+,40-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@H]2[C@@H](CO[Si](O2)(C(C)(C)C)C(C)(C)C)O[C@]3([C@@H]1O)C4=C(CO3)C=C(C=C4O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C48H92O8Si4/c1-29(2)57(30(3)4,31(5)6)53-39-25-38-27-50-48(42(38)40(26-39)54-58(32(7)8,33(9)10)34(11)12)45(49)44(55-59(35(13)14,36(15)16)37(17)18)43-41(52-48)28-51-60(56-43,46(19,20)21)47(22,23)24/h25-26,29-37,41,43-45,49H,27-28H2,1-24H3/t41-,43-,44+,45-,48+/m1/s1