EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C=C\1/C(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@H]5[C@@H]([C@]2(O1)C)OC(=O)O5)(C)C)OC(O3)(C)C)C
InChI: InChI=1S/C22H30O7/c1-8-11-15(23)22-20(6)12(28-19(4,5)29-22)9-10-18(2,3)14(20)13-16(21(22,7)27-11)26-17(24)25-13/h8,12-14,16H,9-10H2,1-7H3/b11-8-/t12-,13-,14-,16-,20-,21+,22-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)NC2=CC=CC=C2)OC(=O)[C@H](CC=C)CC3=NC4=CC=CC=C4O3)OC(=O)[C@H](CC=C)CC5=NC6=CC=CC=C6O5
InChI: InChI=1S/C40H41N3O11/c1-4-13-24(21-32-42-27-17-9-11-19-29(27)49-32)37(45)52-35-34(54-40(47)41-26-15-7-6-8-16-26)31(23-44)51-39(48-3)36(35)53-38(46)25(14-5-2)22-33-43-28-18-10-12-20-30(28)50-33/h4-12,15-20,24-25,31,34-36,39,44H,1-2,13-14,21-23H2,3H3,(H,41,47)/t24-,25-,31-,34-,35+,36-,39+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(C=C2)C#N
InChI: InChI=1S/C21H26N2O3/c1-14-5-4-6-19(15(14)2)23-21(25)16(3)26-20(24)12-11-17-7-9-18(13-22)10-8-17/h7-12,14-16,19H,4-6H2,1-3H3,(H,23,25)/b12-11+/t14-,15+,16+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2C[C@H]([C@H]3[C@@H]([C@]2(C(=O)OC)C(=O)OCC[Si](C)(C)C)O3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H36O9Si/c1-33-21-13-11-19(12-14-21)18-36-23-17-22(37-26(30)20-9-7-6-8-10-20)24-25(38-24)29(23,27(31)34-2)28(32)35-15-16-39(3,4)5/h6-14,22-25H,15-18H2,1-5H3/t22-,23+,24+,25+,29-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C19H20N2O5/c22-17(20-12-7-8-15-16(10-12)26-11-25-15)6-3-9-21-18(23)13-4-1-2-5-14(13)19(21)24/h1-2,7-8,10,13-14H,3-6,9,11H2,(H,20,22)/t13-,14-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CN(C2=C1)C(=O)OC(C)(C)C)CC[C@@H]4C(=O)OC)C)C
InChI: InChI=1S/C34H59NO5Si/c1-21(2)41(22(3)4,23(5)6)40-24-15-17-34(11)27-16-18-33(10)26(13-14-28(33)30(36)38-12)25(27)20-35(29(34)19-24)31(37)39-32(7,8)9/h19,21-28H,13-18,20H2,1-12H3/t24-,25-,26-,27-,28+,33-,34+/m0/s1
SMILES: CC(=O)OC([C@@]12C=C[C@@H](O1)[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4Cl)OC(=O)C
InChI: InChI=1S/C19H16ClNO7/c1-9(22)26-18(27-10(2)23)19-8-7-13(28-19)14-15(19)17(25)21(16(14)24)12-6-4-3-5-11(12)20/h3-8,13-15,18H,1-2H3/t13-,14+,15-,19+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@]2([C@H]([C@H]([C@]1(C)O)OC(=O)[C@H]2OC(=O)C)[C@H]3COC(O3)(C)C)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C20H26Cl3NO10/c1-8(25)31-11-6-19(24-16(28)20(21,22)23)12(10-7-30-17(3,4)34-10)13(18(11,5)29)33-15(27)14(19)32-9(2)26/h10-14,29H,6-7H2,1-5H3,(H,24,28)/t10-,11+,12+,13-,14-,18-,19+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@H](/C=C/CCCCCCCCCCCCC)OCOC
InChI: InChI=1S/C50H89NO13/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44(60-38-57-7)43(51-46(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)36-59-50-49(63-42(6)55)48(62-41(5)54)47(61-40(4)53)45(64-50)37-58-39(3)52/h32,34,43-45,47-50H,8-31,33,35-38H2,1-7H3,(H,51,56)/b34-32+/t43-,44+,45-,47-,48+,49-,50-/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C18H14BrClFN3O2/c1-9-14(17(25)23-11-7-5-10(19)6-8-11)16(24-18(26)22-9)15-12(20)3-2-4-13(15)21/h2-8,14,16H,1H2,(H,23,25)(H2,22,24,26)/t14-,16-/m1/s1
SMILES: CC[C@@H]1[C@@H]([C@H](OCC/C(=C\C[C@H](NC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=COC(=N2)C)/Cl)/C)C)O
InChI: InChI=1S/C26H39ClN2O6/c1-7-19-24(32)16(3)34-11-10-15(2)8-9-21(20(27)12-18-14-35-17(4)28-18)29-23(31)13-22(30)26(5,6)25(19)33/h8,12,14,16,19,21-22,24,30,32H,7,9-11,13H2,1-6H3,(H,29,31)/b15-8-,20-12-/t16-,19-,21+,22+,24-/m1/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N(CC3=COC=C3)[C@@H]4C=C([C@H]5[C@@H]([C@H]4O)OC6=C5C=C(C=C6OC)C=O)C(=O)NCCO
InChI: InChI=1S/C32H30N2O10/c1-40-23-5-3-4-19-12-25(43-28(19)23)32(39)34(14-17-6-9-42-16-17)22-13-21(31(38)33-7-8-35)26-20-10-18(15-36)11-24(41-2)29(20)44-30(26)27(22)37/h3-6,9-13,15-16,22,26-27,30,35,37H,7-8,14H2,1-2H3,(H,33,38)/t22-,26+,27+,30+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)OCC
InChI: InChI=1S/C22H30N2O6/c1-3-28-18-8-7-17(12-19(18)29-4-2)23-22(27)24-20(25)13-30-21(26)11-16-10-14-5-6-15(16)9-14/h7-8,12,14-16H,3-6,9-11,13H2,1-2H3,(H2,23,24,25,27)/t14-,15+,16+/m0/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC(=C(C=C4)OC)OC)C#N
InChI: InChI=1S/C18H18N4O4/c1-10-7-25-18(26-10)17(9-20)14(16(17,8-19)15(21)22-18)11-4-5-12(23-2)13(6-11)24-3/h4-6,10,14H,7H2,1-3H3,(H2,21,22)/p+1/t10-,14+,16+,17+,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC5=NC(=NC=C5C[C@]34C)N
InChI: InChI=1S/C22H31N3O/c1-20-11-13-12-24-19(23)25-18(13)10-14(20)4-5-15-16(20)6-8-21(2)17(15)7-9-22(21,3)26/h10,12,15-17,26H,4-9,11H2,1-3H3,(H2,23,24,25)/t15-,16+,17+,20+,21+,22+/m1/s1
SMILES: CC(C)CC(C(=O)C)NC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C
InChI: InChI=1S/C26H40N2O3/c1-15(2)14-21(16(3)29)27-24(31)20-8-7-18-17-6-9-22-26(5,13-11-23(30)28-22)19(17)10-12-25(18,20)4/h11,13,15,17-22H,6-10,12,14H2,1-5H3,(H,27,31)(H,28,30)/t17-,18-,19-,20+,21?,22+,25-,26+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C33H28ClNO7/c1-16-12-25(36)28-21(9-4-17-13-26(41-2)31(38)27(14-17)42-3)20-10-11-22-29(23(20)15-24(28)30(16)37)33(40)35(32(22)39)19-7-5-18(34)6-8-19/h4-10,12-14,21-23,29,38H,11,15H2,1-3H3/t21-,22-,23+,29-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/[C@H]1[C@@H](OC(O1)(C)C)[C@H]2C(=C)COC(O2)(C)C
InChI: InChI=1S/C14H21O4.3C4H9.Sn/c1-7-10-12(18-14(5,6)16-10)11-9(2)8-15-13(3,4)17-11;3*1-3-4-2;/h1,7,10-12H,2,8H2,3-6H3;3*1,3-4H2,2H3;/t10-,11+,12+;;;;/m0..../s1
SMILES: CCOCCOCCCC1=CCC[C@@H]2[C@@H](O1)CCCC2O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H44O4Si/c1-7-24-17-18-25-16-10-12-19-11-8-13-20-21(26-19)14-9-15-22(20)27-28(5,6)23(2,3)4/h11,20-22H,7-10,12-18H2,1-6H3/t20-,21+,22?/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)NCCCCCCCCCC(=O)OC
InChI: InChI=1S/C43H71NO5/c1-29(2)31-20-25-43(38(47)44-28-16-14-12-10-11-13-15-17-36(46)48-9)27-26-41(7)32(37(31)43)18-19-34-40(6)23-22-35(49-30(3)45)39(4,5)33(40)21-24-42(34,41)8/h31-35,37H,1,10-28H2,2-9H3,(H,44,47)/t31-,32+,33-,34+,35-,37+,40-,41+,42+,43-/m0/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CNS(=O)(=O)C4=CC=CC=C4)O)O)O)O)O)O
InChI: InChI=1S/C24H32N2O13S2/c27-17-15(11-25-40(33,34)13-7-3-1-4-8-13)37-23(21(31)19(17)29)39-24-22(32)20(30)18(28)16(38-24)12-26-41(35,36)14-9-5-2-6-10-14/h1-10,15-32H,11-12H2/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24?/m1/s1
SMILES: C1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC(=O)CC(=O)O)C(=O)OC3=CC=CC=C3
InChI: InChI=1S/C22H22FNO6/c23-17-8-6-15(7-9-17)19-10-11-24(22(28)30-18-4-2-1-3-5-18)13-16(19)14-29-21(27)12-20(25)26/h1-9,16,19H,10-14H2,(H,25,26)/t16-,19-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)C
InChI: InChI=1S/C15H17F3N2O3S/c1-3-23-12(21)10-11(9-6-4-8(2)5-7-9)19-13(24)20-14(10,22)15(16,17)18/h4-7,10-11,22H,3H2,1-2H3,(H2,19,20,24)/t10-,11-,14-/m1/s1
SMILES: C[C@H]1[C@@H](O[C@H]([C@@H]1O)C2=CC=CC=C2)C/C=C/C(=O)N[C@H](CC3=CC(=C(C=C3)OC)Cl)C(=O)NC[C@@H](C)C(=O)OC
InChI: InChI=1S/C30H37ClN2O7/c1-18(30(37)39-4)17-32-29(36)23(16-20-13-14-25(38-3)22(31)15-20)33-26(34)12-8-11-24-19(2)27(35)28(40-24)21-9-6-5-7-10-21/h5-10,12-15,18-19,23-24,27-28,35H,11,16-17H2,1-4H3,(H,32,36)(H,33,34)/b12-8+/t18-,19+,23-,24+,27-,28+/m1/s1
SMILES: CCCN(CCC)C(=O)[C@H]1[C@@H]([C@H](CC(O1)(C(=O)OCC)O)O)O
InChI: InChI=1S/C15H27NO7/c1-4-7-16(8-5-2)13(19)12-11(18)10(17)9-15(21,23-12)14(20)22-6-3/h10-12,17-18,21H,4-9H2,1-3H3/t10-,11+,12+,15?/m0/s1
SMILES: C[C@H](C[C@@H](/C=C/[C@H]1[C@@H](OC(O1)(C)C)CCO[Si](C)(C)C(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C34H49NO9Si/c1-24(40-23-25-10-16-28(39-7)17-11-25)22-29(42-32(36)26-12-14-27(15-13-26)35(37)38)18-19-30-31(44-34(5,6)43-30)20-21-41-45(8,9)33(2,3)4/h10-19,24,29-31H,20-23H2,1-9H3/b19-18+/t24-,29-,30+,31+/m1/s1
SMILES: CCC[C@H]1C[C@@H]([C@H]([C@H](O1)CCC)O)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H26O4/c1-3-8-14-12-16(17(19)15(21-14)9-4-2)22-18(20)13-10-6-5-7-11-13/h5-7,10-11,14-17,19H,3-4,8-9,12H2,1-2H3/t14-,15+,16-,17-/m0/s1
SMILES: [2H]C([2H])([2H])COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1/i1D3
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]([C@@H](C[C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C17H29N5O4Si/c1-17(2,3)27(4,5)25-7-11-14(24)10(23)6-12(26-11)22-9-21-13-15(18)19-8-20-16(13)22/h8-12,14,23-24H,6-7H2,1-5H3,(H2,18,19,20)/t10-,11+,12+,14-/m1/s1
SMILES: CCOC(=O)[C@@]12C[C@H]3[C@H]4[C@H](C4(C)C)[C@H](C[C@]3(O1)[C@@H]5CCC[C@H]5C2=O)OC(=O)C
InChI: InChI=1S/C22H30O6/c1-5-26-19(25)22-9-14-16-17(20(16,3)4)15(27-11(2)23)10-21(14,28-22)13-8-6-7-12(13)18(22)24/h12-17H,5-10H2,1-4H3/t12-,13-,14+,15+,16+,17-,21+,22+/m1/s1
SMILES: C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)[C@@H]4CC=C(C[C@@H]4C3=O)Cl
InChI: InChI=1S/C22H31ClN2O3/c23-15-11-12-18-19(13-15)22(28)24(21(18)27)14-20(26)25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11,16-19H,1-10,12-14H2/t18-,19+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)OCC3=CC=CC=C3)O)O
InChI: InChI=1S/C13H16O5/c14-10-9-7-17-13(18-9)12(11(10)15)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12-,13-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N4CCCN4[C@@H]3C2=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C23H25N3O4/c1-3-30-18-11-7-16(8-12-18)26-22(27)19-20(15-5-9-17(29-2)10-6-15)24-13-4-14-25(24)21(19)23(26)28/h5-12,19-21H,3-4,13-14H2,1-2H3/t19-,20-,21+/m1/s1
SMILES: C[C@H]([C@@H](C(=O)OCCOCCOC)NC(=O)OCC=C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChI: InChI=1S/C18H31NO11/c1-4-5-28-18(24)19-13(16(23)27-9-8-26-7-6-25-3)11(2)30-17-15(22)14(21)12(20)10-29-17/h4,11-15,17,20-22H,1,5-10H2,2-3H3,(H,19,24)/t11-,12-,13+,14+,15-,17+/m1/s1
SMILES: CC(C)C[C@@H]1CC(=O)O[C@@]1(C)C(=O)CSC2=NC3=CC=CC=C3N2
InChI: InChI=1S/C18H22N2O3S/c1-11(2)8-12-9-16(22)23-18(12,3)15(21)10-24-17-19-13-6-4-5-7-14(13)20-17/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)/t12-,18-/m1/s1
SMILES: CCN(C1CCN(CC1)C[C@H]2CC(C[C@@H]2C3=CC=CC=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C35H42F3N3O5S/c1-3-41(34(42)45-25-26-10-6-4-7-11-26)29-18-20-40(21-19-29)24-28-22-30(23-33(28)27-12-8-5-9-13-27)39(2)47(43,44)32-16-14-31(15-17-32)46-35(36,37)38/h4-17,28-30,33H,3,18-25H2,1-2H3/t28-,30?,33-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H21FN2O5/c23-17-11-25(22(28)24-21(17)27)20-10-18(19(12-26)30-20)29-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,18-20,26H,10,12-13H2,(H,24,27,28)/t18-,19+,20+/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]([C@@H]3N1C4=C(C=C3)C=C(C=C4)OC)C(=O)N(C2=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C27H28N2O5/c1-27(2,3)24(30)23-22-21(20-12-6-15-14-18(34-5)11-13-19(15)29(20)23)25(31)28(26(22)32)16-7-9-17(33-4)10-8-16/h6-14,20-23H,1-5H3/t20-,21+,22+,23+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OC(O6)(C)C
InChI: InChI=1S/C29H42O7/c1-15(2)21-9-18-11-27(13-30)20-8-7-16(3)19(20)12-28(18,29(21,27)25(31)32)14-33-23-10-22-24(17(4)34-23)36-26(5,6)35-22/h9,13,15-20,22-24H,7-8,10-12,14H2,1-6H3,(H,31,32)/t16-,17-,18?,19-,20-,22+,23-,24-,27+,28?,29+/m1/s1
SMILES: C/C(=C\C(=O)C)/N1[C@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)F
InChI: InChI=1S/C23H23FN2O2/c1-14(11-15(2)27)26-23(17-5-4-6-18(24)12-17)20-10-8-16-7-9-19(28-3)13-21(16)22(20)25-26/h4-7,9,11-13,20,23H,8,10H2,1-3H3/b14-11+/t20-,23-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3C)C(=O)N(C2=O)C4=CC(=CC=C4)OC)C
InChI: InChI=1S/C24H26N2O5/c1-5-31-23(29)24(3)19-18(20(25-24)17-12-7-6-9-14(17)2)21(27)26(22(19)28)15-10-8-11-16(13-15)30-4/h6-13,18-20,25H,5H2,1-4H3/p+1/t18-,19+,20-,24-/m0/s1
SMILES: C[C@@H]1CO[C@H](O[C@H]1[C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)O)OC)C2=CC=C(C=C2)OC
InChI: InChI=1S/C28H50O6Si/c1-18(17-33-35(10,11)28(5,6)7)24(29)20(3)26(31-9)21(4)25-19(2)16-32-27(34-25)22-12-14-23(30-8)15-13-22/h12-15,18-21,24-27,29H,16-17H2,1-11H3/t18-,19+,20+,21-,24-,25+,26+,27+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=COC=C3
InChI: InChI=1S/C21H25NO4/c1-2-26-21(24)19-13-18(19)14-22(20(23)17-10-12-25-15-17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,15,18-19H,2,6,9,11,13-14H2,1H3/t18-,19+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C17H17NO4/c1-10(11-5-3-2-4-6-11)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h2-8,10,12-14H,9H2,1H3,(H,20,21)/p-1/t10-,12-,13+,14+,17-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2CC=C[C@@H]2C3=C(N1)C=CC(=C3)C(=O)OCC
InChI: InChI=1S/C18H21NO4/c1-3-22-17(20)11-8-9-15-14(10-11)12-6-5-7-13(12)16(19-15)18(21)23-4-2/h5-6,8-10,12-13,16,19H,3-4,7H2,1-2H3/t12-,13-,16+/m0/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CNCCCN4C=CN=C4)C
InChI: InChI=1S/C21H31N3O2/c1-15-5-3-6-21(2)12-19-16(11-18(15)21)17(20(25)26-19)13-22-7-4-9-24-10-8-23-14-24/h8,10-11,14-17,19,22H,3-7,9,12-13H2,1-2H3/t15-,16+,17+,19+,21+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC[C@H]([C@@]4(CC3)C)C5=CC(=O)OC5O)C)C)O
InChI: InChI=1S/C28H36O7/c1-14(29)34-23-21(32)22-25(2,3)19(30)10-12-27(22,5)18-9-11-26(4)16(7-8-17(26)28(18,23)6)15-13-20(31)35-24(15)33/h8,10,12-13,16,18,21-24,32-33H,7,9,11H2,1-6H3/t16-,18+,21+,22-,23+,24?,26-,27+,28?/m0/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)CN=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-]
InChI: InChI=1S/C27H28N6O3S/c1-19-12-14-22(15-13-19)37-27-24(31-33-29)26(35-18-21-10-6-3-7-11-21)25(23(36-27)16-30-32-28)34-17-20-8-4-2-5-9-20/h2-15,23-27H,16-18H2,1H3/t23-,24+,25+,26+,27-/m0/s1
SMILES: CC(C)(C)C(=O)N(C)[C@H]1[C@@H](COC2=C1C3=CC=CC=C3C=C2)CO
InChI: InChI=1S/C20H25NO3/c1-20(2,3)19(23)21(4)18-14(11-22)12-24-16-10-9-13-7-5-6-8-15(13)17(16)18/h5-10,14,18,22H,11-12H2,1-4H3/t14-,18+/m1/s1
SMILES: CCC[C@H]1CC(=O)[C@@H]2[C@@H](CCC[C@H]2N1C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C21H29NO3/c1-3-8-17-13-19(23)20-15(2)9-7-12-18(20)22(17)21(24)25-14-16-10-5-4-6-11-16/h4-6,10-11,15,17-18,20H,3,7-9,12-14H2,1-2H3/t15-,17+,18-,20-/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=C5N=C(C(=N6)C7=CC=CC=C7)C8=CC=CC=C8)O[C@H]([C@H]9C[C@@H]1CCN9C[C@@H]1CC)C1=C2C=C(C=CC2=NC=C1)OC
InChI: InChI=1S/C58H60N8O4/c1-5-35-33-65-27-23-39(35)29-49(65)55(43-21-25-59-47-19-17-41(67-3)31-45(43)47)69-57-53-54(62-52(38-15-11-8-12-16-38)51(61-53)37-13-9-7-10-14-37)58(64-63-57)70-56(50-30-40-24-28-66(50)34-36(40)6-2)44-22-26-60-48-20-18-42(68-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,55-56H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36-,39-,40-,49+,50+,55-,56-/m0/s1
SMILES: C[C@@H](C[C@@]1(CCC(=C[C@@H]1[C@@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)COCOC)C#N)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C46H65NO5Si/c1-34(2)53(35(3)4,36(5)6)52-29-38(8)37(7)28-45(32-47)26-25-39(30-50-33-49-9)27-43(45)44(48)31-51-46(40-19-13-10-14-20-40,41-21-15-11-16-22-41)42-23-17-12-18-24-42/h10-24,27,34-38,43-44,48H,25-26,28-31,33H2,1-9H3/t37-,38-,43+,44+,45-/m0/s1
SMILES: C[C@@H]1CN(C[C@@H]1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI: InChI=1S/C18H20FN3O3/c1-9-6-21(8-14(9)20)16-5-15-11(4-13(16)19)17(23)12(18(24)25)7-22(15)10-2-3-10/h4-5,7,9-10,14H,2-3,6,8,20H2,1H3,(H,24,25)/t9-,14+/m1/s1
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)(C)O)C)C)O)C
InChI: InChI=1S/C37H66O13/c1-14-25-19(3)29(39)20(4)28(38)18(2)15-35(9,43)33(50-27-17-37(11,45-13)32(41)24(8)47-27)21(5)30(22(6)34(42)48-25)49-26-16-36(10,44-12)31(40)23(7)46-26/h18-27,29-33,39-41,43H,14-17H2,1-13H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27+,29+,30+,31+,32+,33-,35-,36-,37-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCCC(=O)C=C
InChI: InChI=1S/C29H42O9/c1-9-18(31)12-11-13-21(34)37-22-23-25(4,5)15-14-19(32)27(23,7)29(35)20(33)16-26(6,10-2)38-28(29,8)24(22)36-17(3)30/h9-10,19,22-24,32,35H,1-2,11-16H2,3-8H3/t19-,22-,23?,24-,26-,27-,28+,29-/m0/s1
SMILES: C[C@H]1CC2=CC=CC=C2N1CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl
InChI: InChI=1S/C15H19ClN2O3S/c1-10-6-11-4-2-3-5-14(11)18(10)7-15(19)17-13-9-22(20,21)8-12(13)16/h2-5,10,12-13H,6-9H2,1H3,(H,17,19)/t10-,12-,13+/m0/s1
SMILES: C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2C(/C=C\C(=O)O1)O)O
InChI: InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7-/t11-,12+,13-,14+,15?/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)[C@H](CC2=CN=CN2)N)CO)O[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)NC(=O)C)O)NC(=O)C)O
InChI: InChI=1S/C30H49N7O16/c1-10(41)34-18-23(46)25(16(7-39)49-28(18)37-27(48)14(31)4-13-5-32-9-33-13)52-30-20(36-12(3)43)24(47)26(17(8-40)51-30)53-29-19(35-11(2)42)22(45)21(44)15(6-38)50-29/h5,9,14-26,28-30,38-40,44-47H,4,6-8,31H2,1-3H3,(H,32,33)(H,34,41)(H,35,42)(H,36,43)(H,37,48)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,28+,29-,30-/m0/s1
SMILES: COC(=O)CC[C@@H]1CN2CCC3=CC4=C(C=C3[C@@H]2C[C@@H]1C[14C](=O)OC)OCO4
InChI: InChI=1S/C21H27NO6/c1-25-20(23)4-3-14-11-22-6-5-13-8-18-19(28-12-27-18)10-16(13)17(22)7-15(14)9-21(24)26-2/h8,10,14-15,17H,3-7,9,11-12H2,1-2H3/t14-,15-,17+/m1/s1/i21+2
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6CCCCC6)Cl
InChI: InChI=1S/C28H30Cl2N2O6/c1-31-25(36)27(29)13-19-16(22(28(27,30)26(31)37)18-12-15(38-2)8-11-20(18)33)9-10-17-21(19)24(35)32(23(17)34)14-6-4-3-5-7-14/h8-9,11-12,14,17,19,21-22,33H,3-7,10,13H2,1-2H3/t17-,19+,21-,22+,27+,28-/m0/s1
SMILES: CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3([C@H]1C(=O)N(C3)C4=CC=C(C=C4)Cl)O2
InChI: InChI=1S/C19H20ClNO4/c1-11(2)9-24-18(23)15-14-7-8-19(25-14)10-21(17(22)16(15)19)13-5-3-12(20)4-6-13/h3-8,11,14-16H,9-10H2,1-2H3/t14-,15+,16+,19-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O5/c1-12-8-9-13(2)17(10-12)22-18(24)11-28-21(27)14(3)23-19(25)15-6-4-5-7-16(15)20(23)26/h4-5,8-10,14-16H,6-7,11H2,1-3H3,(H,22,24)/t14-,15-,16-/m0/s1
SMILES: CCOC(=O)N[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C9H17NO7/c1-2-16-9(15)10-8-7(14)6(13)5(12)4(3-11)17-8/h4-8,11-14H,2-3H2,1H3,(H,10,15)/t4-,5-,6-,7+,8-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4[C@@]3(CC[C@H](C4)O)C
InChI: InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14+,15+,16+,17+,18+,19+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@H]([C@@H](C(C2=CC3=C(C=C2)OCO3)O)OCOC)OCOC)/C=N\OCC4=CC=CC=C4)C
InChI: InChI=1S/C27H35NO10/c1-27(2)37-22(13-28-36-14-18-8-6-5-7-9-18)24(38-27)26(35-16-31-4)25(34-15-30-3)23(29)19-10-11-20-21(12-19)33-17-32-20/h5-13,22-26,29H,14-17H2,1-4H3/b28-13-/t22-,23?,24-,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)NC2=C([C@@H]([C@H]([C@@](C2)(C)O)C(=O)C)C3=CC=C(C=C3)F)C(=O)C
InChI: InChI=1S/C24H26FNO3/c1-14-5-11-19(12-6-14)26-20-13-24(4,29)23(16(3)28)22(21(20)15(2)27)17-7-9-18(25)10-8-17/h5-12,22-23,26,29H,13H2,1-4H3/t22-,23+,24-/m0/s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CF)O)O)OC)O)O)O
InChI: InChI=1S/C21H39FO10/c1-3-4-5-6-7-8-9-29-20-18(27)16(25)15(24)13(32-20)11-30-21-19(28-2)17(26)14(23)12(10-22)31-21/h12-21,23-27H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@@H]3CC4=C(C(=O)[C@H]3CC=O)NC5=CC=CC=C45
InChI: InChI=1S/C32H35NO3Si/c1-32(2,3)37(24-12-6-4-7-13-24,25-14-8-5-9-15-25)36-21-19-23-22-28-27-16-10-11-17-29(27)33-30(28)31(35)26(23)18-20-34/h4-17,20,23,26,33H,18-19,21-22H2,1-3H3/t23-,26+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O
InChI: InChI=1S/C27H30N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,23+,27-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C=C4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C)[C@@H](C(=O)[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O)OC
InChI: InChI=1S/C30H40O10/c1-14-9-21(36-4)30(35)26(38-14)39-19-11-16-5-6-18-23(27(16,2)12-20(19)40-30)24(32)25(33)28(3)17(7-8-29(18,28)34)15-10-22(31)37-13-15/h10-11,14,17-21,23-24,26,32,34-35H,5-9,12-13H2,1-4H3/t14-,17-,18-,19-,20-,21-,23-,24+,26+,27+,28+,29+,30+/m1/s1
SMILES: CC1=CN2[C@@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC2=NC1=O
InChI: InChI=1S/C17H16N2O5/c1-10-8-19-14-7-12(24-17(19)18-15(10)20)13(23-14)9-22-16(21)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3/t12-,13+,14-/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)OC=O)OC=O
InChI: InChI=1S/C31H32O15/c1-13-38-9-22-27(44-13)28(40-10-32)29(41-11-33)31(45-22)46-26-16-7-19-18(42-12-43-19)6-15(16)23(24-17(26)8-39-30(24)35)14-4-20(36-2)25(34)21(5-14)37-3/h4-7,10-11,13,17,22-24,26-29,31,34H,8-9,12H2,1-3H3/t13-,17+,22-,23-,24+,26-,27-,28+,29-,31+/m1/s1
SMILES: CCCC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)C2=CC3=C(C=C2)OC(=N3)C)/C)C)O
InChI: InChI=1S/C31H45NO6/c1-7-8-12-23-29(35)20(3)11-9-10-19(2)13-15-25(22-14-16-26-24(17-22)32-21(4)37-26)38-28(34)18-27(33)31(5,6)30(23)36/h13-14,16-17,20,23,25,27,29,33,35H,7-12,15,18H2,1-6H3/b19-13-/t20-,23+,25-,27-,29-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)I
InChI: InChI=1S/C15H12INO2/c16-10-3-5-11(6-4-10)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2/t8-,9+,12-,13-/m0/s1
SMILES: CCOC1=C(C(=O)C1=O)NCCCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O)O)O)NC(=O)C
InChI: InChI=1S/C25H40N2O17S/c1-3-39-22-14(18(32)20(22)34)26-7-5-4-6-8-40-24-15(27-11(2)29)23(17(31)12(9-28)42-24)44-25-21(35)19(33)16(30)13(43-25)10-41-45(36,37)38/h12-13,15-17,19,21,23-26,28,30-31,33,35H,3-10H2,1-2H3,(H,27,29)(H,36,37,38)/t12-,13-,15-,16-,17+,19+,21-,23-,24-,25+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C17H15NO6/c19-14-12-7-1-2-8(3-7)13(12)15(20)18(14)11-5-9(16(21)22)4-10(6-11)17(23)24/h4-8,12-13H,1-3H2,(H,21,22)(H,23,24)/p-2/t7-,8+,12+,13-
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C20H29NO6/c1-12-7-6-8-15(13(12)2)21-18(22)11-27-20(23)14-9-16(24-3)19(26-5)17(10-14)25-4/h9-10,12-13,15H,6-8,11H2,1-5H3,(H,21,22)/t12-,13-,15-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=NNC3=CC=CC=C32
InChI: InChI=1S/C18H23N3O3/c1-11-6-5-9-14(12(11)2)19-16(22)10-24-18(23)17-13-7-3-4-8-15(13)20-21-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21)/t11-,12-,14-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC(=C8)Cl)O)C(=O)N(C7=O)C(C)(C)C)C
InChI: InChI=1S/C38H36Cl2N4O5S/c1-17-22-13-19(40)8-12-28(22)50-32(17)26-16-29(42(6)41-26)43-34(47)25-15-23-20(9-10-21-30(23)35(48)44(33(21)46)37(2,3)4)31(38(25,5)36(43)49)24-14-18(39)7-11-27(24)45/h7-9,11-14,16,21,23,25,30-31,45H,10,15H2,1-6H3/t21-,23+,25-,30-,31+,38+/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=CC=C4O)C(=O)N(C3=O)C(=O)N)[C@@H]5[C@H]1C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C22H20N4O7/c23-21(32)25-17(28)10-6-5-8-11(15(10)19(25)30)7-12-16(20(31)26(18(12)29)22(24)33)14(8)9-3-1-2-4-13(9)27/h1-5,10-12,14-16,27H,6-7H2,(H2,23,32)(H2,24,33)/t10-,11+,12+,14+,15-,16+/m0/s1
SMILES: CCCCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C(=O)C4=CC5=C(O4)C(=CC=C5)OC
InChI: InChI=1S/C33H40N2O9/c1-4-5-6-7-12-35(33(40)26-16-20-9-8-10-24(41-2)29(20)43-26)23-17-22(32(39)34-11-13-36)27-21-14-19(18-37)15-25(42-3)30(21)44-31(27)28(23)38/h8-10,14-17,23,27-28,31,36-38H,4-7,11-13,18H2,1-3H3,(H,34,39)/t23-,27+,28+,31+/m1/s1
SMILES: CC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)OC(C)C)/C=C/C)NC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O
InChI: InChI=1S/C19H34N2O4.C7H8O3S/c1-8-10-14-11-15(18(23)25-12(3)4)21-16(14)17(20-13(5)22)19(6,9-2)24-7;1-6-2-4-7(5-3-6)11(8,9)10/h8,10,12,14-17,21H,9,11H2,1-7H3,(H,20,22);2-5H,1H3,(H,8,9,10)/b10-8+;/t14-,15-,16-,17-,19+;/m1./s1
SMILES: CCCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C18H25NO5S/c1-4-9-24-18(23)14-10(2)11(3)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h12-13H,4-9H2,1-3H3,(H,19,20)(H,21,22)/t12-,13+/m0/s1