EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C=C[C@@H](O1)C2=CC=C(C=C2)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H41F3O3Si2/c1-23(2,3)32(7,8)29-17-22-21(31-33(9,10)24(4,5)6)16-15-20(30-22)18-11-13-19(14-12-18)25(26,27)28/h11-16,20-22H,17H2,1-10H3/t20-,21+,22-/m1/s1
SMILES: CCC[C@@H]1C=C/C(=C\C)/[C@@H]([C@H]1C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H22O4/c1-5-7-11-9-8-10(6-2)12(14(16)18-3)13(11)15(17)19-4/h6,8-9,11-13H,5,7H2,1-4H3/b10-6+/t11-,12+,13+/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)NC4=O)O
InChI: InChI=1S/C27H17Cl2F5N2O6/c1-42-8-2-3-10(13(37)6-8)15-9-4-5-11-14(23(39)35-22(11)38)12(9)7-26(28)24(40)36(25(41)27(15,26)29)21-19(33)17(31)16(30)18(32)20(21)34/h2-4,6,11-12,14-15,37H,5,7H2,1H3,(H,35,38,39)/t11-,12+,14-,15+,26+,27-/m0/s1
SMILES: C1[C@@H](CN2[C@@H]1[C@@H]([C@H]([C@H]3[C@@H]2CC(=O)O3)O)O)O
InChI: InChI=1S/C10H15NO5/c12-4-1-5-8(14)9(15)10-6(11(5)3-4)2-7(13)16-10/h4-6,8-10,12,14-15H,1-3H2/t4-,5-,6-,8-,9+,10+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=CC(=C2)F)F
InChI: InChI=1S/C16H21F2N3OS/c1-9-4-3-5-14(10(9)2)19-16(23)21-20-15(22)11-6-12(17)8-13(18)7-11/h6-10,14H,3-5H2,1-2H3,(H,20,22)(H2,19,21,23)/t9-,10-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=COC8=C(C7)C=C(C=C8)O)C(=O)N(C5=O)O
InChI: InChI=1S/C36H31N3O7/c1-19-7-9-23(10-8-19)37-38-33(42)28-17-27-25(12-13-26-30(27)34(43)39(45)32(26)41)31(36(28,35(38)44)22-5-3-2-4-6-22)21-15-20-16-24(40)11-14-29(20)46-18-21/h2-12,14,16,18,26-28,30-31,37,40,45H,13,15,17H2,1H3/t26-,27+,28-,30-,31-,36+/m0/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)Br)O)C(=O)N(C7=O)C)C
InChI: InChI=1S/C35H30BrClN4O5S/c1-15-20-12-17(37)6-10-26(20)47-30(15)24-14-27(40(4)38-24)41-32(44)23-13-21-18(7-8-19-28(21)33(45)39(3)31(19)43)29(35(23,2)34(41)46)22-11-16(36)5-9-25(22)42/h5-7,9-12,14,19,21,23,28-29,42H,8,13H2,1-4H3/t19-,21+,23-,28-,29+,35+/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CCN(CC4)C5=CC=CC(=C5)C)O)C
InChI: InChI=1S/C26H36N2O3/c1-17-6-4-9-20(14-17)28-12-10-27(11-13-28)16-21-23-22(31-25(21)30)15-19-8-5-7-18(2)26(19,3)24(23)29/h4,6,8-9,14,18,21-24,29H,5,7,10-13,15-16H2,1-3H3/p+1/t18-,21-,22-,23-,24+,26-/m1/s1
SMILES: B(C1=CC(=CC=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)OC)O)Cl)C)Cl)(O)O
InChI: InChI=1S/C28H25BCl2N2O8/c1-32-25(37)27(30)12-19-16(22(28(27,31)26(32)38)18-11-15(41-2)6-9-20(18)34)7-8-17-21(19)24(36)33(23(17)35)14-5-3-4-13(10-14)29(39)40/h3-7,9-11,17,19,21-22,34,39-40H,8,12H2,1-2H3/t17-,19+,21-,22+,27+,28-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H](C=C[C@H]1[C@@H]2[C@@]([C@@H]3[C@H](C4=CCO[C@]24O3)C(C)(C)OC)(C(=O)CS(=O)(=O)C5=NC6=CC=CC=C6S5)C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C41H61NO10S2Si2/c1-13-56(14-2,15-3)52-33-26(24-50-55(11,12)38(4,5)6)20-21-27(33)34-40(36(44)47-9,35-32(39(7,8)48-10)28-22-23-49-41(28,34)51-35)31(43)25-54(45,46)37-42-29-18-16-17-19-30(29)53-37/h16-22,26-27,32-35H,13-15,23-25H2,1-12H3/t26-,27-,32+,33+,34-,35+,40-,41-/m1/s1
SMILES: CN1CC[C@@]23C/C(=N\N)/C(=C[C@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI: InChI=1S/C19H25N3O3/c1-22-7-6-19-10-13(21-20)16(25-3)9-12(19)14(22)8-11-4-5-15(24-2)18(23)17(11)19/h4-5,9,12,14,23H,6-8,10,20H2,1-3H3/b21-13+/t12-,14-,19+/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C17H25N3O3S/c1-20(2)16-6-5-14(24(18,22)23)10-15(16)19-17(21)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-,12+,13+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]([C@H]1C3=CC(=C(C=C23)F)F)OC(=S)SC
InChI: InChI=1S/C17H19F2NO3S2/c1-17(2,3)23-15(21)20-12-7-13(22-16(24)25-4)14(20)9-6-11(19)10(18)5-8(9)12/h5-6,12-14H,7H2,1-4H3/t12-,13+,14-/m1/s1
SMILES: CC1=CC(=C(C=C1)N[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C12H16N2O6/c1-6-2-3-7(8(4-6)14(18)19)13-12-11(17)10(16)9(15)5-20-12/h2-4,9-13,15-17H,5H2,1H3/t9-,10-,11+,12+/m1/s1
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C19H25NO4/c1-23-16-8-7-13(11-17(16)24-2)9-10-20-18(21)12-14-5-3-4-6-15(14)19(20)22/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-,15+/m1/s1
SMILES: CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C24H29NO3S/c1-24(2,3)15-10-11-16-19(12-15)29-22(20(16)23(27)28-4)25-21(26)18-13-17(18)14-8-6-5-7-9-14/h5-9,15,17-18H,10-13H2,1-4H3,(H,25,26)/t15-,17-,18+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C23H26N6O4/c1-28(2)16-8-4-14(5-9-16)22-25-26-27-29(22)19-13-33-20-18(12-32-21(19)20)24-23(30)15-6-10-17(31-3)11-7-15/h4-11,18-21H,12-13H2,1-3H3,(H,24,30)/t18-,19-,20+,21+/m0/s1
SMILES: CC1=C(C[C@@]2([C@H](C1)C3=CC=CS3)C(=O)OC(=N2)C4=CC=CC=C4)C
InChI: InChI=1S/C20H19NO2S/c1-13-11-16(17-9-6-10-24-17)20(12-14(13)2)19(22)23-18(21-20)15-7-4-3-5-8-15/h3-10,16H,11-12H2,1-2H3/t16-,20-/m1/s1
SMILES: C/C(=C(\CC1=CC=CC=C1)/C(=O)OC)/N[C@@H]2CCCC[C@H]2N3C4C3CCCC4
InChI: InChI=1S/C24H34N2O2/c1-17(19(24(27)28-2)16-18-10-4-3-5-11-18)25-20-12-6-7-13-21(20)26-22-14-8-9-15-23(22)26/h3-5,10-11,20-23,25H,6-9,12-16H2,1-2H3/b19-17-/t20-,21-,22?,23?,26?/m1/s1
SMILES: CCOC(=O)[C@]1([C@H](CC(=O)N1)C2=CC=CC=C2)C(=O)[O-]
InChI: InChI=1S/C14H15NO5/c1-2-20-13(19)14(12(17)18)10(8-11(16)15-14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,15,16)(H,17,18)/p-1/t10-,14+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCC5=CC=CO5
InChI: InChI=1S/C23H27N5O3/c1-30-19-6-4-16(5-7-19)22-15-28(26-25-22)13-18-11-17-8-9-27(18)14-21(17)23(29)24-12-20-3-2-10-31-20/h2-7,10,15,17-18,21H,8-9,11-14H2,1H3,(H,24,29)/t17-,18-,21+/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CS7)O
InChI: InChI=1S/C32H21Cl2F5N2O6S/c1-47-12-4-5-15(18(42)9-12)20-14-6-7-16-19(28(44)40(27(16)43)11-13-3-2-8-48-13)17(14)10-31(33)29(45)41(30(46)32(20,31)34)26-24(38)22(36)21(35)23(37)25(26)39/h2-6,8-9,16-17,19-20,42H,7,10-11H2,1H3/t16-,17+,19-,20+,31+,32-/m0/s1
SMILES: C=CS(=O)(=O)NC[C@H]1CC[C@H]2[C@@H](NC3=C([C@H]2O1)C=C(C=C3)C(F)(F)F)C4=CC=CC=C4
InChI: InChI=1S/C22H23F3N2O3S/c1-2-31(28,29)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)30-16/h2-8,11-12,16-17,20-21,26-27H,1,9-10,13H2/t16-,17+,20+,21+/m1/s1
SMILES: CCCCCCCCCC(=O)N1[C@@H]2CCN(C[C@H]2C3=C1C=CC(=C3)C)C
InChI: InChI=1S/C23H36N2O/c1-4-5-6-7-8-9-10-11-23(26)25-21-13-12-18(2)16-19(21)20-17-24(3)15-14-22(20)25/h12-13,16,20,22H,4-11,14-15,17H2,1-3H3/t20-,22+/m0/s1
SMILES: CC1=C2C=C(C=CC2=NC3=C1C4=CC=CC=C4N3C)OCCO[C@@H]5C[C@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C25H28N2O6/c1-14-17-11-15(31-9-10-32-22-12-20(29)24(30)21(13-28)33-22)7-8-18(17)26-25-23(14)16-5-3-4-6-19(16)27(25)2/h3-8,11,20-22,24,28-30H,9-10,12-13H2,1-2H3/t20-,21-,22+,24+/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@](C2=O)(CC=C)SC3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H22ClNOS/c1-3-17-25(29-22-7-5-4-6-8-22)23(19-11-13-20(26)14-12-19)27(24(25)28)21-15-9-18(2)10-16-21/h3-16,23H,1,17H2,2H3/t23-,25+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H](C=C([C@@H]3[C@H]2OC(O3)(C)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H29NO4S/c1-19-14-16-22(17-15-19)34(30,31)29-25-23(20-10-6-4-7-11-20)18-24(21-12-8-5-9-13-21)26-27(25)33-28(2,3)32-26/h4-18,23,25-27,29H,1-3H3/t23-,25+,26+,27-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H]3CO[C@H]([C@@H]3C(=O)O2)C4=CC(=C(C=C4)O)OC)O
InChI: InChI=1S/C20H20O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-19,21-22H,9H2,1-2H3/t12-,17-,18+,19+/m1/s1
SMILES: CC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)N(C)CC=C)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C21H32N2O3S/c1-6-9-23(5)18(26)10-14-19-15(27-13(2)22-19)11-16-20(14,3)8-7-17(25)21(16,4)12-24/h6,14,16-17,24-25H,1,7-12H2,2-5H3/t14-,16+,17-,20+,21+/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1SC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)(C(=O)O)N
InChI: InChI=1S/C21H18F3NO4S/c22-12-5-1-10(2-6-12)16(11-3-7-13(23)8-4-11)30-15-9-14-17(20(14,24)18(26)27)21(15,25)19(28)29/h1-8,14-17H,9,25H2,(H,26,27)(H,28,29)/t14-,15-,17+,20-,21+/m1/s1
SMILES: C=C1C[C@@H](CC2C1C[C@H]3[C@@H](C2)OC(=O)C3=C)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H22O4/c1-12-8-16(24-21(23)14-6-4-3-5-7-14)9-15-10-19-18(11-17(12)15)13(2)20(22)25-19/h3-7,15-19H,1-2,8-11H2/t15?,16-,17?,18+,19+/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)NC4=O
InChI: InChI=1S/C36H33ClN4O5S/c1-15-10-18(11-16(2)30(15)42)29-20-7-8-21-28(33(44)38-32(21)43)23(20)13-24-34(45)41(35(46)36(24,29)4)27-14-25(39-40(27)5)31-17(3)22-12-19(37)6-9-26(22)47-31/h6-7,9-12,14,21,23-24,28-29,42H,8,13H2,1-5H3,(H,38,43,44)/t21-,23+,24-,28-,29-,36+/m0/s1
SMILES: CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C[NH+]2CC[C@H]3CCCC[C@@H]3C2)N
InChI: InChI=1S/C22H37N5O4/c1-3-4-10-27-20(23)19(21(29)24-22(27)30)26(12-13-31-2)18(28)15-25-11-9-16-7-5-6-8-17(16)14-25/h16-17H,3-15,23H2,1-2H3,(H,24,29,30)/p+1/t16-,17-/m1/s1
SMILES: C/C=C(/C)\O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)N=[N+]=[N-]
InChI: InChI=1S/C41H49N3O6Si/c1-7-30(2)49-40-37(43-44-42)39(47-27-31-17-11-8-12-18-31)38(46-28-32-23-25-33(45-6)26-24-32)36(50-40)29-48-51(41(3,4)5,34-19-13-9-14-20-34)35-21-15-10-16-22-35/h7-26,36-40H,27-29H2,1-6H3/b30-7-/t36-,37-,38-,39-,40-/m1/s1
SMILES: C/C=C\O[C@H]([C@H]1[C@@H]2CCCC[C@@]2(OC1=O)CCCBr)C(C)C
InChI: InChI=1S/C18H29BrO3/c1-4-12-21-16(13(2)3)15-14-8-5-6-9-18(14,10-7-11-19)22-17(15)20/h4,12-16H,5-11H2,1-3H3/b12-4-/t14-,15+,16-,18+/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H]([C@H](N2C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=CC=C5Cl
InChI: InChI=1S/C22H18ClFN2O3/c23-14-4-1-2-5-15(14)26-21(28)17-16-6-3-11-25(16)19(18(17)22(26)29)20(27)12-7-9-13(24)10-8-12/h1-2,4-5,7-10,16-19H,3,6,11H2/t16-,17+,18-,19-/m0/s1
SMILES: C[NH+]1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CN=CC=C3
InChI: InChI=1S/C18H16N6/c1-24-6-4-13-14(7-19)17(22)18(10-20,11-21)16(15(13)9-24)12-3-2-5-23-8-12/h2-5,8,14-16,22H,6,9H2,1H3/p+1/t14?,15-,16-/m1/s1
SMILES: C=CCC1=C2C(=CC(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=C(O2)C4=CC(=C(C=C4)OS(=O)(=O)O)F
InChI: InChI=1S/C22H20FNO12S/c1-2-3-9-6-11(33-22-17(27)15(25)16(26)19(35-22)21(28)29)8-13-18(9)34-20(24-13)10-4-5-14(12(23)7-10)36-37(30,31)32/h2,4-8,15-17,19,22,25-27H,1,3H2,(H,28,29)(H,30,31,32)/t15-,16-,17+,19-,22+/m0/s1
SMILES: CC1(OC[C@]2(O1)[C@]([C@H]3[C@@H](CO2)OC(O3)(C)C)(/C(=N\O)/N)OC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H26N2O8/c1-17(2)26-11-19(30-17)20(16(21)22-24,29-15(23)12-8-6-5-7-9-12)14-13(10-25-19)27-18(3,4)28-14/h5-9,13-14,24H,10-11H2,1-4H3,(H2,21,22)/t13-,14-,19+,20+/m1/s1
SMILES: CCOC(=O)C1=C(NC(=C1C)CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C
InChI: InChI=1S/C21H25N3O8S/c1-5-31-21(30)15-9(2)13(22-10(15)3)6-14(26)23-16-18(27)24-17(20(28)29)12(7-32-11(4)25)8-33-19(16)24/h16,19,22H,5-8H2,1-4H3,(H,23,26)(H,28,29)/t16-,19-/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=C4CNC(=O)C5=CN=CC=C5)CN(C)[C@@H](C)C6=CC=CC=C6
InChI: InChI=1S/C41H43N3O4/c1-28-38(26-44(3)29(2)31-10-5-4-6-11-31)47-41(48-39(28)33-17-15-30(27-45)16-18-33)34-21-19-32(20-22-34)37-14-8-7-12-35(37)25-43-40(46)36-13-9-23-42-24-36/h4-24,28-29,38-39,41,45H,25-27H2,1-3H3,(H,43,46)/t28-,29-,38+,39+,41+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OCC3=CC=C(C=C3)Cl)N
InChI: InChI=1S/C21H25ClFN3O6/c1-11(2)18(24)20(28)31-10-16-15(30-9-12-3-5-13(22)6-4-12)7-17(32-16)26-8-14(23)19(27)25-21(26)29/h3-6,8,11,15-18H,7,9-10,24H2,1-2H3,(H,25,27,29)/t15-,16+,17+,18-/m0/s1
SMILES: C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)N2C[C@@]([C@@H]2C3=CC(=C(C=C3)OC)OC)(C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H41NO4/c1-24-16-18-28(29(36)20-24)33(2,3)35-23-34(27-14-10-7-11-15-27,39-22-25-12-8-6-9-13-25)32(35)26-17-19-30(37-4)31(21-26)38-5/h6-15,17,19,21,24,28,32H,16,18,20,22-23H2,1-5H3/t24-,28-,32+,34+/m1/s1
SMILES: CC(C)N(CC(=O)NCC(=O)NC1=CC=C(C=C1)OC)C(=O)[C@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C24H29N3O4/c1-16(2)27(24(30)21-13-20(21)17-7-5-4-6-8-17)15-23(29)25-14-22(28)26-18-9-11-19(31-3)12-10-18/h4-12,16,20-21H,13-15H2,1-3H3,(H,25,29)(H,26,28)/t20-,21-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=C(C=C3)F)(C4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C23H23FN2O4/c1-3-26-20(27)17-18(21(26)28)23(22(29)30-4-2,15-8-6-5-7-9-15)25-19(17)14-10-12-16(24)13-11-14/h5-13,17-19,25H,3-4H2,1-2H3/p+1/t17-,18-,19+,23+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H]([C@@H]3CC[C@@H]4[C@H]([C@H]3CN2C1)C[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C
InChI: InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22+,23+,24-,25+,26-,27-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N
InChI: InChI=1S/C23H24N2O3/c1-16-8-2-7-13-21(16)25-22(26)15-28-23(27)20-12-6-5-11-19(20)18-10-4-3-9-17(18)14-24/h3-6,9-12,16,21H,2,7-8,13,15H2,1H3,(H,25,26)/t16-,21+/m0/s1
SMILES: CC1=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=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O)O
InChI: InChI=1S/C40H29Cl2F3N4O7/c1-18-4-2-7-26(32(18)50)31-24-12-13-25-30(36(53)48(34(25)51)23-6-3-5-19(14-23)37(54)55)27(24)16-28-35(52)49(38(56)39(28,31)20-8-10-22(41)11-9-20)47-33-29(42)15-21(17-46-33)40(43,44)45/h2-12,14-15,17,25,27-28,30-31,50H,13,16H2,1H3,(H,46,47)(H,54,55)/t25-,27+,28-,30-,31+,39+/m0/s1
SMILES: C[C@@H]1[C@@H](C(=C(O[C@H]1C2=C(C(=C(C(=C2OC)OC)C)OC)OC)C(=O)OC)C)O
InChI: InChI=1S/C20H28O8/c1-9-13(21)10(2)17(20(22)27-8)28-14(9)12-18(25-6)15(23-4)11(3)16(24-5)19(12)26-7/h9,13-14,21H,1-8H3/t9-,13+,14-/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN(CCCOC)C(=O)OC5=CC6=CC=CC=C6C=C5)O)C)O
InChI: InChI=1S/C35H45NO5/c1-33-16-13-27(37)22-26(33)10-12-29-30(33)14-17-34(2)31(29)15-18-35(34,39)23-36(19-6-20-40-3)32(38)41-28-11-9-24-7-4-5-8-25(24)21-28/h4-5,7-12,21,27,30-31,37,39H,6,13-20,22-23H2,1-3H3/t27-,30-,31-,33-,34-,35+/m0/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)[C@@H]([C@H](C(=O)C(/C=C/[C@H]([C@H]2OC(=O)C)C)(C)C)OC(=O)C(C)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C37H48O12/c1-19(2)34(42)49-31-30(46-24(7)39)22(5)29(45-23(6)38)27-28(48-35(43)26-14-12-11-13-15-26)21(4)18-37(27,44)33(47-25(8)40)20(3)16-17-36(9,10)32(31)41/h11-17,19-21,27-31,33,44H,5,18H2,1-4,6-10H3/b17-16+/t20-,21+,27-,28+,29+,30+,31-,33-,37-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)Cl)CBr)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C31H22BrCl3N2O5/c32-14-36-28(41)30(34)13-22-19(11-12-20-23(22)27(40)37(26(20)39)17-8-6-16(33)7-9-17)24(31(30,35)29(36)42)21-10-5-15-3-1-2-4-18(15)25(21)38/h1-11,20,22-24,38H,12-14H2/t20-,22+,23-,24+,30+,31-/m0/s1
SMILES: C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-13-4-2-1-3-10(13)14-7-12(25)17-11(24)5-9(23)6-15(17)29-14/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OS(=O)(=O)O2)[C@H]3COC(O3)(C)C)C
InChI: InChI=1S/C12H20O8S/c1-11(2)15-5-7(17-11)9-10(20-21(13,14)19-9)8-6-16-12(3,4)18-8/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
SMILES: C[NH+](CC1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)F)[C@H]3CS(=O)(=O)C[C@@H]3O
InChI: InChI=1S/C15H16F3N3O4S/c1-21(11-7-26(23,24)8-12(11)22)6-13-19-14(20-25-13)9-2-4-10(5-3-9)15(16,17)18/h2-5,11-12,22H,6-8H2,1H3/p+1/t11-,12-/m0/s1
SMILES: C[C@@]12C=C[C@H]3[C@H]([C@@H]1C(=O)[C@@](C(C[C@@H]4[C@H]2O4)(C)C)(/C=C/C5(OCCO5)C)OC)COC(O3)(C)C
InChI: InChI=1S/C26H38O7/c1-22(2)14-18-21(32-18)24(5)9-8-17-16(15-31-23(3,4)33-17)19(24)20(27)26(22,28-7)11-10-25(6)29-12-13-30-25/h8-11,16-19,21H,12-15H2,1-7H3/b11-10+/t16-,17+,18-,19-,21-,24-,26-/m1/s1
SMILES: CC1=C(N(C(=O)NC1=O)C[C@@H]2[C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3F)O)C
InChI: InChI=1S/C19H23FN2O6/c1-10-11(2)22(19(25)21-17(10)24)8-14-15(23)16(18(26-3)28-14)27-9-12-6-4-5-7-13(12)20/h4-7,14-16,18,23H,8-9H2,1-3H3,(H,21,24,25)/t14-,15+,16-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=CC(=NC6=O)N)NC(=O)O5
InChI: InChI=1S/C31H30N4O7/c1-38-22-12-8-20(9-13-22)31(19-6-4-3-5-7-19,21-10-14-23(39-2)15-11-21)40-18-24-27-26(34-30(37)42-27)28(41-24)35-17-16-25(32)33-29(35)36/h3-17,24,26-28H,18H2,1-2H3,(H,34,37)(H2,32,33,36)/t24-,26-,27-,28-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)OCOCCOC)OCOCCOC)OCOCCOC)C
InChI: InChI=1S/C39H68O9/c1-29(2)11-9-12-30(3)34-16-17-35-32(13-10-18-39(34,35)5)14-15-33-25-36(46-26-43-22-19-40-6)38(48-28-45-24-21-42-8)37(31(33)4)47-27-44-23-20-41-7/h14-15,29-30,34-38H,4,9-13,16-28H2,1-3,5-8H3/b32-14+,33-15-/t30-,34-,35+,36-,37-,38-,39-/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NCC7=CC(=CC=C7)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C53H56N2O13/c1-51(2,3)67-44(58)26-24-40(31-56)55-48(60)36-14-12-13-34(27-36)30-54-47(59)37-28-41(45-42(29-37)66-53(68-45,38-15-8-6-9-16-38)39-17-10-7-11-18-39)64-49(61)35-22-19-33(20-23-35)21-25-43(57)65-46-50(62)63-32-52(46,4)5/h6-23,25,27,29,40-42,45-46,56H,24,26,28,30-32H2,1-5H3,(H,54,59)(H,55,60)/t40-,41+,42+,45-,46-/m0/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]3C[C@H](CC(=O)O3)O)C.C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C
InChI: InChI=1S/C24H36O5.C20H23N3O2/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19;1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3;4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t14-,15-,16-,18+,19+,20-,21-,23-;18-,20+/m01/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CCSC
InChI: InChI=1S/C24H25N3O3S/c1-3-14-8-10-15(11-9-14)27-21(28)19-18(12-13-31-2)26-24(20(19)22(27)29)16-6-4-5-7-17(16)25-23(24)30/h4-11,18-20,26H,3,12-13H2,1-2H3,(H,25,30)/t18-,19-,20-,24-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCNC(=O)C(F)(F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)CP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-]
InChI: InChI=1S/C47H54F3N6O12P3/c1-36-28-56(46(59)55(44(36)57)26-16-6-15-25-52-45(58)47(48,49)50)43-27-41(53-54-51)42(68-43)33-63-69(60,34-70(61,64-29-37-17-7-2-8-18-37)65-30-38-19-9-3-10-20-38)35-71(62,66-31-39-21-11-4-12-22-39)67-32-40-23-13-5-14-24-40/h2-5,7-14,17-24,28,41-43H,6,15-16,25-27,29-35H2,1H3,(H,52,58)/t41-,42+,43+/m0/s1
SMILES: C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)Cl
InChI: InChI=1S/C19H21ClO8/c20-11-5-10-8-3-1-2-4-9(8)18(25)26-12(10)6-13(11)27-19-17(24)16(23)15(22)14(7-21)28-19/h5-6,14-17,19,21-24H,1-4,7H2/t14-,15+,16+,17-,19-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=C(C=C7)OC(F)(F)F)C)C(=C3)C(=O)C8=CC(=C(C=C8)F)F)O
InChI: InChI=1S/C38H38F5NO5/c1-33-12-9-24(45)18-35(33)15-16-37(26(19-35)31(46)23-5-8-27(39)28(40)17-23)29(33)10-13-34(2)30(37)11-14-36(34)21-44(32(47)49-36)20-22-3-6-25(7-4-22)48-38(41,42)43/h3-8,15-17,19,24,29-30,45H,9-14,18,20-21H2,1-2H3/t24-,29+,30+,33+,34-,35-,36+,37-/m0/s1
SMILES: CC(=O)OC[C@H]1CN(C[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C32H41NO16/c1-17(34)41-15-24-12-33(32(40)43-14-23-10-8-7-9-11-23)13-25(44-19(3)36)27(24)49-31-30(47-22(6)39)29(46-21(5)38)28(45-20(4)37)26(48-31)16-42-18(2)35/h7-11,24-31H,12-16H2,1-6H3/t24-,25-,26-,27-,28-,29+,30-,31+/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)NC4=CC=C(C=C4)OC5=CC=CC=C5)CN6CCCCC6
InChI: InChI=1S/C37H41N3O5/c1-26-34(24-40-22-6-3-7-23-40)44-36(45-35(26)28-12-10-27(25-41)11-13-28)29-14-16-30(17-15-29)38-37(42)39-31-18-20-33(21-19-31)43-32-8-4-2-5-9-32/h2,4-5,8-21,26,34-36,41H,3,6-7,22-25H2,1H3,(H2,38,39,42)/t26-,34+,35+,36+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=CN2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C[C@@H](C(=O)O)N
InChI: InChI=1S/C17H22N2O7/c18-10(17(24)25)5-8-6-19(11-4-2-1-3-9(8)11)16-15(23)14(22)13(21)12(7-20)26-16/h1-4,6,10,12-16,20-23H,5,7,18H2,(H,24,25)/t10-,12+,13+,14-,15+,16+/m0/s1
SMILES: CC[C@]1(C[C@@H]([NH+](C[C@@H]1C)C)C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H25NO2/c1-5-17(11-14(3)18(4)12-13(17)2)20-16(19)15-9-7-6-8-10-15/h6-10,13-14H,5,11-12H2,1-4H3/p+1/t13-,14-,17+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3
InChI: InChI=1S/C20H31N3O/c1-16-7-6-10-19(17(16)2)21-20(24)15-22-11-13-23(14-12-22)18-8-4-3-5-9-18/h3-5,8-9,16-17,19H,6-7,10-15H2,1-2H3,(H,21,24)/p+1/t16-,17+,19-/m0/s1
SMILES: C1[C@@H]([C@H](CS1(=O)=O)SC2=NN=C(O2)C3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C12H11ClN2O4S2/c13-8-3-1-7(2-4-8)11-14-15-12(19-11)20-10-6-21(17,18)5-9(10)16/h1-4,9-10,16H,5-6H2/t9-,10-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)COC2=CC=C(C=C2)F
InChI: InChI=1S/C18H24FNO4/c1-12-4-3-5-16(13(12)2)20-17(21)10-24-18(22)11-23-15-8-6-14(19)7-9-15/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)/t12-,13+,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H29NO6S/c1-15-9-11-19(12-10-15)32-24-23(30-17(3)27)22(29-16(2)26)21(25)20(31-24)14-28-13-18-7-5-4-6-8-18/h4-12,20-24H,13-14,25H2,1-3H3/t20-,21+,22+,23-,24+/m1/s1
SMILES: CC(C)[C@@H]1COC(=O)N1C(=O)[C@@H]([C@@H]2C(=O)C=CC(=CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)OC
InChI: InChI=1S/C38H47NO12/c1-24(2)28-23-49-38(43)39(28)36(42)34(44-3)31-29(41)18-17-27(50-31)16-11-19-46-35-33(48-22-26-14-9-6-10-15-26)32(30(20-40)51-37(35)45-4)47-21-25-12-7-5-8-13-25/h5-10,12-18,24,28,30-35,37,40H,11,19-23H2,1-4H3/t28-,30+,31-,32+,33-,34+,35-,37-/m0/s1
SMILES: CC(=O)OCC(=O)[C@]12[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C23H32O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h4,15-18,20,25H,5-12H2,1-3H3/t15-,16+,17-,18-,20-,21-,22-,23+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)O)O)C)OC(=O)C
InChI: InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(39-25(34)16-9-7-6-8-10-16)22-27(5,18(32)11-19-28(22,35)13-37-19)23(33)21(38-15(2)30)20(14)26(29,3)4/h6-10,17-19,21-22,24,31-32,35-36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C
InChI: InChI=1S/C21H20N2O3S/c1-12-3-8-17-18(9-12)27-20(23-17)14-4-6-15(7-5-14)22-19(24)11-26-21(25)16-10-13(16)2/h3-9,13,16H,10-11H2,1-2H3,(H,22,24)/t13-,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@](C4)(C#CC5=CC=C(C=C5)Cl)O)C)C
InChI: InChI=1S/C35H51ClO/c1-24(2)7-6-8-25(3)30-15-16-31-29-14-11-27-23-35(37,20-17-26-9-12-28(36)13-10-26)22-21-33(27,4)32(29)18-19-34(30,31)5/h9-10,12-13,24-25,27,29-32,37H,6-8,11,14-16,18-19,21-23H2,1-5H3/t25-,27+,29-,30-,31+,32-,33+,34-,35+/m1/s1
SMILES: CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O
InChI: InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H5,28,29,30,34,42,43,44,45,46,47)/p+1/t14-,15+,16+,19-,20+,21+,26?/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCC(=O)O
InChI: InChI=1S/C21H17NO4/c23-15(24)9-10-22-20(25)18-16-11-5-1-2-6-12(11)17(19(18)21(22)26)14-8-4-3-7-13(14)16/h1-8,16-19H,9-10H2,(H,23,24)/t16?,17?,18-,19-/m1/s1
SMILES: C1[C@@H]([C@H](CO1)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C24H24OS/c1-4-10-19(11-5-1)16-21-17-25-18-23(21)24(20-12-6-2-7-13-20)26-22-14-8-3-9-15-22/h1-15,21,23-24H,16-18H2/t21-,23-,24?/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C[NH+](C)C)C)[C@H](C)C(=O)N4CCSCC4)O
InChI: InChI=1S/C24H38N4O3S2/c1-14(22(31)28-8-10-32-11-9-28)16-6-7-24(3)12-17-20(15(2)19(24)21(16)30)26-23(33-17)25-18(29)13-27(4)5/h14-16,19,21,30H,6-13H2,1-5H3,(H,25,26,29)/p+1/t14-,15-,16+,19+,21-,24-/m0/s1