EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CCC5=CC=CO5)C=C1
InChI: InChI=1S/C23H29NO2/c1-25-19-8-7-17-15-22-20-6-2-3-10-23(20,21(17)16-19)11-13-24(22)12-9-18-5-4-14-26-18/h4-5,7-8,14,16,20,22H,2-3,6,9-13,15H2,1H3/t20-,22+,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC=CO6)C
InChI: InChI=1S/C27H22N2O4/c1-15-9-10-18(14-16(15)2)29-26(31)21-22(27(29)32)24(25(30)20-8-5-13-33-20)28-12-11-17-6-3-4-7-19(17)23(21)28/h3-14,21-24H,1-2H3/t21-,22-,23-,24+/m1/s1
SMILES: C#CC[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H38O5/c1-2-15-33-35(39-25-30-18-9-4-10-19-30)37(41-27-32-22-13-6-14-23-32)36(40-26-31-20-11-5-12-21-31)34(42-33)28-38-24-29-16-7-3-8-17-29/h1,3-14,16-23,33-37H,15,24-28H2/t33-,34+,35-,36-,37+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CN4CCN(CC4)C(=O)[C@H](CC5=CC=CC=C5)NC(=O)CCC6CCCC6)O)CCC7=C3C=CC(=C7)OS(=O)(=O)N
InChI: InChI=1S/C40H56N4O6S/c1-39-19-17-33-32-15-13-31(50-51(41,48)49)26-30(32)12-14-34(33)35(39)18-20-40(39,47)27-43-21-23-44(24-22-43)38(46)36(25-29-9-3-2-4-10-29)42-37(45)16-11-28-7-5-6-8-28/h2-4,9-10,13,15,26,28,33-36,47H,5-8,11-12,14,16-25,27H2,1H3,(H,42,45)(H2,41,48,49)/t33-,34-,35+,36+,39+,40-/m1/s1
SMILES: CC1=C([C@]23CCC4=C([C@@]2(CC[C@H]1[C@H]3N(C)CC5CC5)C)C=C(C=C4)OC)C
InChI: InChI=1S/C25H35NO/c1-16-17(2)25-13-10-19-8-9-20(27-5)14-22(19)24(25,3)12-11-21(16)23(25)26(4)15-18-6-7-18/h8-9,14,18,21,23H,6-7,10-13,15H2,1-5H3/t21-,23-,24+,25+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)NC(=O)OC)N=[N+]=[N-]
InChI: InChI=1S/C16H20N4O6/c1-22-15-12(19-20-17)11(18-16(21)23-2)13-10(25-15)8-24-14(26-13)9-6-4-3-5-7-9/h3-7,10-15H,8H2,1-2H3,(H,18,21)/t10-,11+,12+,13-,14-,15+/m1/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)C(=C(C5=O)C)C)C)C(=O)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C33H39NO8/c1-5-42-25-15-19(10-13-24(25)35)28-20-11-12-21-27(32(41)34(31(21)40)14-8-6-7-9-26(36)37)22(20)16-23-29(38)17(2)18(3)30(39)33(23,28)4/h10-11,13,15,21-23,27-28,35H,5-9,12,14,16H2,1-4H3,(H,36,37)/t21-,22+,23-,27-,28-,33+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C
InChI: InChI=1S/C24H33N3O3/c1-15-10-9-13-22(16(15)2)25-24(29)19(5)30-23(28)14-21-17(3)26-27(18(21)4)20-11-7-6-8-12-20/h6-8,11-12,15-16,19,22H,9-10,13-14H2,1-5H3,(H,25,29)/t15-,16-,19+,22-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C19H28N2O/c1-14-7-5-8-15(2)19(14)20-18(22)13-21-12-6-10-16-9-3-4-11-17(16)21/h5,7-8,16-17H,3-4,6,9-13H2,1-2H3,(H,20,22)/p+1/t16-,17-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2[C@H]3[C@@H]([C@H]1C4=CC=CC=C24)ON=C3C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H21ClN2O3/c1-22(2,3)27-21(26)25-18-14-6-4-5-7-15(14)19(25)20-16(18)17(24-28-20)12-8-10-13(23)11-9-12/h4-11,16,18-20H,1-3H3/t16-,18-,19+,20-/m0/s1
SMILES: COC1=CC=CC(=C1OC)[C@@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)F
InChI: InChI=1S/C26H25FN2O4S/c1-32-24-8-4-7-21(26(24)33-2)25-20-6-3-5-19(20)22-15-18(13-14-23(22)28-25)34(30,31)29-17-11-9-16(27)10-12-17/h3-5,7-15,19-20,25,28-29H,6H2,1-2H3/t19-,20-,25-/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C[C@]34[C@]25C(=O)O[C@@H]3[C@@H]([C@H]([C@@]46[C@H](C(=O)O[C@@H]6O5)O)C(C)(C)C)OC(=O)C)OC1=O
InChI: InChI=1S/C22H26O10/c1-7-10-9(29-15(7)25)6-20-14-11(28-8(2)23)12(19(3,4)5)21(20)13(24)16(26)31-18(21)32-22(10,20)17(27)30-14/h7,9-14,18,24H,6H2,1-5H3/t7-,9-,10-,11+,12-,13-,14+,18+,20-,21-,22+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](CCCCO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C19H30N2O12/c22-7-9-11(25)12(26)15(29)18(32-9)31-6-2-1-3-8(23)16-13(27)14(28)17(33-16)21-5-4-10(24)20-19(21)30/h4-5,8-9,11-18,22-23,25-29H,1-3,6-7H2,(H,20,24,30)/t8-,9-,11+,12+,13+,14-,15-,16-,17-,18+/m1/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-
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=CC=C7O)Cl)CBr)Cl
InChI: InChI=1S/C37H31BrCl2N2O7/c1-48-23-13-16-29(49-2)21(17-23)10-7-20-8-11-22(12-9-20)42-32(44)26-15-14-24-27(30(26)33(42)45)18-36(39)34(46)41(19-38)35(47)37(36,40)31(24)25-5-3-4-6-28(25)43/h3-14,16-17,26-27,30-31,43H,15,18-19H2,1-2H3/t26-,27+,30-,31+,36+,37-/m0/s1
SMILES: C[C@H]1[C@H]([NH2+][C@@H]([C@@H](C1=O)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H19F2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3/p+1/t11-,12-,17-,18-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H28N2O4/c1-17-7-5-6-10-21(17)26-22(27)16-30-23(28)15-25-24(29)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-4,8-9,11-14,17,21H,5-7,10,15-16H2,1H3,(H,25,29)(H,26,27)/t17-,21-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C(=O)[C@@]4([C@@]3(CC[C@@H](C4)Cl)C)O)Br)C
InChI: InChI=1S/C27H44BrClO2/c1-16(2)7-6-8-17(3)19-9-10-20-22-21(12-13-25(19,20)4)26(5)14-11-18(29)15-27(26,31)24(30)23(22)28/h16-23,31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,23+,25-,26-,27+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H29N5OS/c1-15-7-5-12-20(16(15)2)25-22(29)14-30-23-27-26-21(28(23)24)13-18-10-6-9-17-8-3-4-11-19(17)18/h3-4,6,8-11,15-16,20H,5,7,12-14,24H2,1-2H3,(H,25,29)/t15-,16+,20+/m1/s1
SMILES: CCN1C=C(C=C(C1=O)F)C2=N[C@H]([C@@](N2)(C3=CC=C(C=C3)Cl)C4=CC(=NC=C4)F)C
InChI: InChI=1S/C22H19ClF2N4O/c1-3-29-12-14(10-18(24)21(29)30)20-27-13(2)22(28-20,15-4-6-17(23)7-5-15)16-8-9-26-19(25)11-16/h4-13H,3H2,1-2H3,(H,27,28)/t13-,22+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@@H]([N@+]1(CC3=CC=CC=C3)[O-])CC(C)C)OC(O2)(C)C
InChI: InChI=1S/C19H29NO3/c1-13(2)11-16-18-17(22-19(4,5)23-18)14(3)20(16,21)12-15-9-7-6-8-10-15/h6-10,13-14,16-18H,11-12H2,1-5H3/t14-,16+,17-,18+,20-/m1/s1
SMILES: CC(C)COC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C25H37NO6/c1-15(2)13-31-23(28)21-19(27)12-25(5,30)22(24(29)32-14-16(3)4)20(21)17-8-10-18(11-9-17)26(6)7/h8-11,15-16,20-22,30H,12-14H2,1-7H3/t20-,21+,22+,25-/m1/s1
SMILES: CS(=O)(=O)CCCCC(=NOS(=O)(=O)[O-])S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/p-1/t7-,9-,10+,11-,12+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](S1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C19H22O3S/c20-17-14-23-18(13-21-11-15-7-3-1-4-8-15)19(17)22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O)O
InChI: InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]1C6=C(C=CC7=CC=CC=C76)O)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C35H28N4O5/c1-35-26(31(41)37(32(35)42)22-11-4-2-5-12-22)20-27-25(30(35)29-24-15-9-8-10-21(24)16-17-28(29)40)18-19-36-33(43)38(34(44)39(27)36)23-13-6-3-7-14-23/h2-18,26-27,30,40H,19-20H2,1H3/t26-,27+,30+,35+/m0/s1
SMILES: C/C=C/[C@H]1C[C@@H]2C=C[C@@H]([C@@H]([C@H]2[C@H](C1)O)CO)C
InChI: InChI=1S/C15H24O2/c1-3-4-11-7-12-6-5-10(2)13(9-16)15(12)14(17)8-11/h3-6,10-17H,7-9H2,1-2H3/b4-3+/t10-,11-,12-,13-,14-,15-/m0/s1
SMILES: CCSC1=CC(=O)O[C@]12C[C@H]([C@@H](C[C@H]2C3OCCO3)C(=O)OC)C
InChI: InChI=1S/C17H24O6S/c1-4-24-13-8-14(18)23-17(13)9-10(2)11(15(19)20-3)7-12(17)16-21-5-6-22-16/h8,10-12,16H,4-7,9H2,1-3H3/t10-,11-,12+,17+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6)Br)O)OC)C(=O)N(C5=O)CC7=CC=CC=C7)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H34BrCl2N3O7/c1-53-25-11-8-23(9-12-25)41-29(38(50)47(40(41)52)45-32-15-10-24(43)18-31(32)44)19-28-26(35(41)22-16-30(42)36(48)33(17-22)54-2)13-14-27-34(28)39(51)46(37(27)49)20-21-6-4-3-5-7-21/h3-13,15-18,27-29,34-35,45,48H,14,19-20H2,1-2H3/t27-,28+,29-,34-,35-,41+/m0/s1
SMILES: CC1=CC2=C(O1)C(=O)[C@H]3[C@@]45[C@@]2(C(CC6=C4C(=C(C=C6)O)O3)N(CC5)C)O
InChI: InChI=1S/C20H19NO5/c1-9-7-11-16(25-9)15(23)18-19-5-6-21(2)13(20(11,19)24)8-10-3-4-12(22)17(26-18)14(10)19/h3-4,7,13,18,22,24H,5-6,8H2,1-2H3/t13?,18-,19-,20+/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5)OC)O)OC)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C32H31Cl2FN2O7/c1-30(2,3)37-26(39)19-11-10-18-20(23(19)27(37)40)14-31(33)28(41)36(17-8-6-16(35)7-9-17)29(42)32(31,34)24(18)15-12-21(43-4)25(38)22(13-15)44-5/h6-10,12-13,19-20,23-24,38H,11,14H2,1-5H3/t19-,20+,23-,24-,31+,32-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C20H26O/c1-14-8-11-18(19(21)12-14)20(2,3)17-10-9-15-6-4-5-7-16(15)13-17/h4-7,9-10,13-14,18-19,21H,8,11-12H2,1-3H3/t14-,18-,19-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC3=C(C(=C2)Cl)OCO3)/C#N
InChI: InChI=1S/C18H19ClN2O3/c1-11-4-2-3-5-15(11)21-18(22)13(9-20)6-12-7-14(19)17-16(8-12)23-10-24-17/h6-8,11,15H,2-5,10H2,1H3,(H,21,22)/b13-6+/t11-,15+/m0/s1
SMILES: C/C=C\1/CN2[C@H]3CC1[C@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)OC)CO
InChI: InChI=1S/C20H24N2O2/c1-3-11-9-22-18-8-15-14-6-12(24-2)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23H,7-10H2,1-2H3/b11-3-/t13?,16-,18+,19+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCC2=CN(N=N2)CCOCCN3C=C(N=N3)CO[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O)O)N)N)O)O)N
InChI: InChI=1S/C22H40N10O7/c23-13-5-15(25)21(19(35)17(13)33)38-9-11-7-31(29-27-11)1-3-37-4-2-32-8-12(28-30-32)10-39-22-16(26)6-14(24)18(34)20(22)36/h7-8,13-22,33-36H,1-6,9-10,23-26H2/t13-,14-,15+,16+,17+,18+,19-,20-,21-,22-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4
InChI: InChI=1S/C22H32N2O3/c1-16-6-2-3-7-18(16)23-22(25)15-24-11-4-8-19(24)17-9-10-20-21(14-17)27-13-5-12-26-20/h9-10,14,16,18-19H,2-8,11-13,15H2,1H3,(H,23,25)/p+1/t16-,18-,19+/m0/s1
SMILES: COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H29N5O3/c1-28-10-8-22-21(27)19-13-25-9-7-16(19)11-17(25)12-26-14-20(23-24-26)15-3-5-18(29-2)6-4-15/h3-6,14,16-17,19H,7-13H2,1-2H3,(H,22,27)/t16-,17-,19+/m1/s1
SMILES: C=CCC1=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)C8CCCCC8)O
InChI: InChI=1S/C41H37Cl2F3N4O5/c1-2-7-21-8-6-11-28(34(21)51)33-26-16-17-27-32(38(54)49(36(27)52)25-9-4-3-5-10-25)29(26)19-30-37(53)50(39(55)40(30,33)22-12-14-24(42)15-13-22)48-35-31(43)18-23(20-47-35)41(44,45)46/h2,6,8,11-16,18,20,25,27,29-30,32-33,51H,1,3-5,7,9-10,17,19H2,(H,47,48)/t27-,29+,30-,32-,33+,40+/m0/s1
SMILES: C[C@@]1/2CCC3(C[C@H]1C(=O)CC([C@H](/C=C2)O[Si](C)(C)C(C)(C)C)(C)C)OCCO3
InChI: InChI=1S/C23H40O4Si/c1-20(2,3)28(7,8)27-19-9-10-22(6)11-12-23(25-13-14-26-23)15-17(22)18(24)16-21(19,4)5/h9-10,17,19H,11-16H2,1-8H3/b10-9-/t17-,19-,22+/m0/s1
SMILES: C[C@@H]1[C@@H](OC(O[C@H]1[C@@H](C)[C@H]2[C@@H]([C@@H](OC(O2)(C)C)[C@@H](COC(=O)C(C)(C)C)C=O)C)(C)C)[C@@H](C)/C=C/COC(=O)C(C)(C)C
InChI: InChI=1S/C34H58O9/c1-20(16-15-17-38-29(36)31(5,6)7)25-21(2)26(41-33(11,12)40-25)22(3)27-23(4)28(43-34(13,14)42-27)24(18-35)19-39-30(37)32(8,9)10/h15-16,18,20-28H,17,19H2,1-14H3/b16-15+/t20-,21+,22+,23-,24+,25-,26+,27-,28+/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H21ClN2O3/c1-27-17-6-4-5-16(13-17)24-21(26)19-8-3-2-7-18(19)20(25)23-15-11-9-14(22)10-12-15/h2-6,9-13,18-19H,7-8H2,1H3,(H,23,25)(H,24,26)/t18-,19+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@@H](OC23C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H17NO5/c26-22-17-13-7-8-14-18(17)23(27)24(22)19(15-9-3-1-4-10-15)20(25(28)29)21(30-24)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20-,21+/m1/s1
SMILES: C[C@@H]1CC(=O)[C@]2([C@@]13CC(=O)[C@](C2(COC(=O)C3)C)(C)O)O
InChI: InChI=1S/C15H20O6/c1-8-4-9(16)15(20)12(2)7-21-11(18)6-14(8,15)5-10(17)13(12,3)19/h8,19-20H,4-7H2,1-3H3/t8-,12?,13+,14-,15+/m1/s1
SMILES: CCCCCCCCOC(=O)C1=C[C@@H]([C@H]([C@@H](O1)[C@H]2[C@@H]([C@@H](CCO2)O)O)NC(=O)C)N=C(N)N
InChI: InChI=1S/C22H38N4O7/c1-3-4-5-6-7-8-10-32-21(30)16-12-14(26-22(23)24)17(25-13(2)27)19(33-16)20-18(29)15(28)9-11-31-20/h12,14-15,17-20,28-29H,3-11H2,1-2H3,(H,25,27)(H4,23,24,26)/t14-,15+,17+,18+,19+,20+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C21H30N2O4/c1-13-6-5-7-18(14(13)2)23-12-15(10-20(23)24)21(25)22-17-9-8-16(26-3)11-19(17)27-4/h8-9,11,13-15,18H,5-7,10,12H2,1-4H3,(H,22,25)/t13-,14-,15-,18-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4
InChI: InChI=1S/C21H25N5O2/c1-14-7-6-10-18(15(14)2)24-19(27)12-25-13-22-20-17(21(25)28)11-23-26(20)16-8-4-3-5-9-16/h3-5,8-9,11,13-15,18H,6-7,10,12H2,1-2H3,(H,24,27)/t14-,15+,18-/m0/s1
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)[O-])N2[C@H]3[C@@H](NC(=O)N3)NC2=O
InChI: InChI=1S/C13H14N4O4/c18-11(19)8(6-7-4-2-1-3-5-7)17-10-9(15-13(17)21)14-12(20)16-10/h1-5,8-10H,6H2,(H,15,21)(H,18,19)(H2,14,16,20)/p-1/t8-,9+,10+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC(C)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC)O)(C)OC)C)C)N(C(=O)O2)CCC4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C45H71ClN2O11/c1-14-34-45(11)39(48(43(53)59-45)21-20-31-16-18-32(46)19-17-31)28(7)36(50)26(5)24-44(10,54-13)40(58-42-37(51)33(47(12)15-2)23-27(6)55-42)29(8)38(30(9)41(52)56-34)57-35(49)22-25(3)4/h16-19,25-30,33-34,37-40,42,51H,14-15,20-24H2,1-13H3/t26-,27-,28-,29+,30-,33+,34-,37-,38+,39-,40-,42+,44+,45-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=CC4=C(C=C23)C(=O)C5=CC=CC=C5C4=O)(C(=O)CO[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OCC=C)O)NC(=O)C(F)(F)F)O
InChI: InChI=1S/C43H46F3NO17/c1-6-11-57-39-38(62-22(5)50)37(61-21(4)49)31(17-58-20(3)48)64-40(39)59-18-32(51)42(56)15-23-12-27-28(36(54)25-10-8-7-9-24(25)35(27)53)13-26(23)30(16-42)63-33-14-29(34(52)19(2)60-33)47-41(55)43(44,45)46/h6-10,12-13,19,29-31,33-34,37-40,52,56H,1,11,14-18H2,2-5H3,(H,47,55)/t19-,29-,30-,31+,33-,34-,37-,38-,39+,40-,42-/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)N[C@H](C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C18H23N3O4/c22-17(19-11-5-6-15-16(9-11)25-8-7-24-15)10-14-18(23)21-13-4-2-1-3-12(13)20-14/h5-6,9,12-14,20H,1-4,7-8,10H2,(H,19,22)(H,21,23)/t12-,13+,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]3COS(=O)(=O)O3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C16H20O8S/c1-16(2)22-14-13(19-8-10-6-4-3-5-7-10)12(21-15(14)23-16)11-9-20-25(17,18)24-11/h3-7,11-15H,8-9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: C[C@]1(C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=C(C=C4)OC)OC)O
InChI: InChI=1S/C18H16O8/c1-18(22)13-12(17-9(26-18)6-10(19)25-17)14(20)7-4-5-8(23-2)16(24-3)11(7)15(13)21/h4-5,9,17,22H,6H2,1-3H3/t9-,17+,18+/m1/s1
SMILES: C[C@@]1([C@H](OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)Cl)Br
InChI: InChI=1S/C14H14BrClO3/c1-13(2)11(17)14(3,15)10(19-12(13)18)8-4-6-9(16)7-5-8/h4-7,10H,1-3H3/t10-,14+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H](CO1)OC(=O)C2=CC=CC=C2)OC)OC
InChI: InChI=1S/C15H20O5/c1-10-13(17-2)14(18-3)12(9-19-10)20-15(16)11-7-5-4-6-8-11/h4-8,10,12-14H,9H2,1-3H3/t10-,12+,13+,14-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C=C4)O)OC)OC
InChI: InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m1/s1
SMILES: C[N@+]12CCCC[C@H]1[C@H](CCC2)COC(=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H28NO3/c1-20-12-4-3-7-18(20)16(6-5-13-20)14-23-19(21)15-8-10-17(22-2)11-9-15/h8-11,16,18H,3-7,12-14H2,1-2H3/q+1/t16-,18+,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)[C@H]2C[C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H39NO6S/c1-27-18-20-31(21-19-27)43(37,38)36(2)34-22-32(40-24-29-14-8-4-9-15-29)35(41-25-30-16-10-5-11-17-30)33(42-34)26-39-23-28-12-6-3-7-13-28/h3-21,32-35H,22-26H2,1-2H3/t32-,33-,34-,35-/m1/s1
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@H]3C=CC4)C5=CC=C(C=C5)C(=O)OC)C
InChI: InChI=1S/C28H28N2O4S/c1-17-7-13-25(18(2)15-17)30-35(32,33)21-12-14-26-24(16-21)22-5-4-6-23(22)27(29-26)19-8-10-20(11-9-19)28(31)34-3/h4-5,7-16,22-23,27,29-30H,6H2,1-3H3/t22-,23-,27-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4F
InChI: InChI=1S/C21H20FN5O3/c1-12(2)13-7-9-14(10-8-13)27-20(29)18-19(21(27)30)26(25-24-18)11-17(28)23-16-6-4-3-5-15(16)22/h3-10,12,18-19H,11H2,1-2H3,(H,23,28)/t18-,19-/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)CSC4=NC=CC=N4
InChI: InChI=1S/C25H27N3O4S/c1-16-22(15-33-25-26-11-4-12-27-25)31-24(20-5-3-6-21(13-20)28-17(2)30)32-23(16)19-9-7-18(14-29)8-10-19/h3-13,16,22-24,29H,14-15H2,1-2H3,(H,28,30)/t16-,22+,23+,24+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCCC3=CC=CC=C3OC
InChI: InChI=1S/C21H27N3O5/c1-14-7-3-5-9-16(14)24-20(27)19(26)23(21(24)28)13-18(25)22-12-11-15-8-4-6-10-17(15)29-2/h4,6,8,10,14,16H,3,5,7,9,11-13H2,1-2H3,(H,22,25)/t14-,16+/m1/s1
SMILES: CC[NH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P+](=O)[O-])OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H47O19PSi.C6H15N/c1-14(31)39-12-20-23(25(43-17(4)34)27(45-19(6)36)29(47-20)49-50(37)38)48-28-26(44-18(5)35)24(42-16(3)33)22(41-15(2)32)21(46-28)13-40-51(10,11)30(7,8)9;1-4-7(5-2)6-3/h20-29H,12-13H2,1-11H3;4-6H2,1-3H3/p+1/t20-,21-,22+,23-,24+,25+,26-,27+,28+,29-;/m1./s1
SMILES: C1CC1C(=O)[C@@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5
InChI: InChI=1S/C24H19N3O/c25-14-24(15-26)20-13-12-16-6-4-5-9-19(16)27(20)22(23(28)18-10-11-18)21(24)17-7-2-1-3-8-17/h1-9,12-13,18,20-22H,10-11H2/t20-,21+,22+/m1/s1
SMILES: CCOC(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI: InChI=1S/C21H25N5O6/c1-3-30-12(2)31-17-16(28)14(9-27)32-21(17)26-11-24-15-18(22-10-23-19(15)26)25-20(29)13-7-5-4-6-8-13/h4-8,10-12,14,16-17,21,27-28H,3,9H2,1-2H3,(H,22,23,25,29)/t12?,14-,16-,17-,21-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4[C@@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=COC=C5)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C27H34O11/c1-12-15(29)9-27(34)22(37-23(33)14-6-7-35-10-14)20-25(5,21(32)19(31)18(12)24(27,3)4)16(30)8-17-26(20,11-36-17)38-13(2)28/h6-7,10,15-17,19-20,22,29-31,34H,8-9,11H2,1-5H3/t15-,16-,17?,19+,20-,22-,25+,26+,27+/m0/s1
SMILES: C[C@@H]1[C@H](OC2(O1)CCC[C@H]3[C@@]2(CC=C(C3)O[Si](C)(C)C)C)C
InChI: InChI=1S/C18H32O3Si/c1-13-14(2)20-18(19-13)10-7-8-15-12-16(21-22(4,5)6)9-11-17(15,18)3/h9,13-15H,7-8,10-12H2,1-6H3/t13-,14-,15-,17+/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)F
InChI: InChI=1S/C17H17FN2O3/c1-10-6-7-11(8-14(10)18)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h2-3,6-8,12-13H,4-5,9H2,1H3,(H,19,21)/t12-,13-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)CC=C)C
InChI: InChI=1S/C30H52O2/c1-7-9-22-18-24-26-13-12-25(21(4)11-8-10-20(2)3)28(26,5)16-15-27(24)29(6)17-14-23(31)19-30(22,29)32/h7,20-27,31-32H,1,8-19H2,2-6H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)(OC(=O)C)P(=O)(O)O
InChI: InChI=1S/C28H35N2O9PSi/c1-19-17-30(26(33)29-25(19)32)24-16-28(39-20(2)31,40(34,35)36)23(38-24)18-37-41(27(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,17,23-24H,16,18H2,1-5H3,(H,29,32,33)(H2,34,35,36)/t23-,24-,28+/m1/s1
SMILES: CC(=O)O[C@@H]1CC(=C)[C@]23[C@@H]1[C@H](C(=O)C=C2)C(C3)(C)C
InChI: InChI=1S/C16H20O3/c1-9-7-12(19-10(2)17)14-13-11(18)5-6-16(9,14)8-15(13,3)4/h5-6,12-14H,1,7-8H2,2-4H3/t12-,13+,14+,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CO)CCC4=C[C@H](CC[C@]34C)OS(=O)(=O)O
InChI: InChI=1S/C20H32O5S/c1-19-9-7-15(25-26(22,23)24)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h11,14-18,21H,3-10,12H2,1-2H3,(H,22,23,24)/t14-,15+,16+,17+,18+,19+,20-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC5=CC=C(C=C5)[N+](=O)[O-])C)C
InChI: InChI=1S/C34H49NO5/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(17-19-33(24,4)31(28)18-20-34(29,30)5)40-32(36)39-26-12-10-25(11-13-26)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3/t23-,27+,28+,29-,30+,31+,33+,34-/m1/s1
SMILES: CCCNC(=O)CN1CC[C@@]2(CCCC[C@@H]2[C@H]1C3=CC4=C(C=C3)OCO4)O
InChI: InChI=1S/C21H30N2O4/c1-2-10-22-19(24)13-23-11-9-21(25)8-4-3-5-16(21)20(23)15-6-7-17-18(12-15)27-14-26-17/h6-7,12,16,20,25H,2-5,8-11,13-14H2,1H3,(H,22,24)/t16-,20-,21-/m1/s1
SMILES: CC(=O)OC[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H37O15P/c1-19(32)38-18-26(41-20(2)33)27-28(42-21(3)34)29(43-22(4)35)30(44-23(5)36)31(45-27)46-47(37,39-16-24-12-8-6-9-13-24)40-17-25-14-10-7-11-15-25/h6-15,26-31H,16-18H2,1-5H3/t26-,27+,28+,29-,30-,31+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC(=C(C=C2)C)Cl
InChI: InChI=1S/C18H21ClN2O6/c1-10-3-4-12(6-15(10)19)20-17(23)9-27-18(24)7-13-14(8-21(25)26)11(2)5-16(13)22/h3-4,6,11,13-14H,5,7-9H2,1-2H3,(H,20,23)/t11-,13-,14+/m1/s1
SMILES: C[C@@H](CCC/C(=C\CO)/C)C(=O)OC1CC2C(C(OC=C2C(=O)O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C
InChI: InChI=1S/C26H38O12/c1-4-15-16-10-19(36-23(32)14(3)7-5-6-13(2)8-9-27)37-24(33)17(16)12-34-25(15)38-26-22(31)21(30)20(29)18(11-28)35-26/h4,8,12,14-16,18-22,25-31H,1,5-7,9-11H2,2-3H3/b13-8-/t14-,15?,16?,18+,19?,20+,21-,22+,25?,26-/m0/s1
SMILES: C1[C@@H]([C@H](N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)O
InChI: InChI=1S/C25H26N2O2/c28-24-19-26(17-21-12-6-2-7-13-21)25(29)27(18-22-14-8-3-9-15-22)23(24)16-20-10-4-1-5-11-20/h1-15,23-24,28H,16-19H2/t23-,24+/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H41NO3/c1-31-39(43-29-33-19-9-3-10-20-33)40(44-30-34-21-11-4-12-22-34)37(42-28-32-17-7-2-8-18-32)27-41(31)38(35-23-13-5-14-24-35)36-25-15-6-16-26-36/h2-26,31,37-40H,27-30H2,1H3/t31-,37-,39+,40+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C23H23N5O4/c1-4-32-22(29)28-8-7-15-17(10-24)21(27)23(12-25,13-26)20(18(15)11-28)16-9-14(30-2)5-6-19(16)31-3/h5-7,9,18,20H,4,8,11,27H2,1-3H3/t18-,20+/m0/s1
SMILES: C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CSC(=S)N(C)C)C(=O)O)O
InChI: InChI=1S/C12H16N2O4S3/c1-5(15)7-9(16)14-8(11(17)18)6(21-10(7)14)4-20-12(19)13(2)3/h5,7,10,15H,4H2,1-3H3,(H,17,18)/t5-,7-,10+/m0/s1
SMILES: C[C@]1(CC[C@@H]2[C@@H](C1)C=C[C@@H]3[C@@]2(CC[C@@H]([C@H]3C(=O)OC)OCOC)C)CO
InChI: InChI=1S/C21H34O5/c1-20(12-22)9-7-15-14(11-20)5-6-16-18(19(23)25-4)17(26-13-24-3)8-10-21(15,16)2/h5-6,14-18,22H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20-,21-/m1/s1
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19+,21-,22+/m1/s1
SMILES: CCOC(=O)C(=CN[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC
InChI: InChI=1S/C22H31NO13/c1-7-30-20(28)15(21(29)31-8-2)9-23-17-19(34-13(5)26)18(33-12(4)25)16(10-32-11(3)24)36-22(17)35-14(6)27/h9,16-19,22-23H,7-8,10H2,1-6H3/t16-,17-,18-,19-,22+/m1/s1
SMILES: CCOP(=O)(OCC)OC1=C[C@H]([C@H]([C@@H](C1)C)C(=O)C)C
InChI: InChI=1S/C14H25O5P/c1-6-17-20(16,18-7-2)19-13-8-10(3)14(12(5)15)11(4)9-13/h8,10-11,14H,6-7,9H2,1-5H3/t10-,11-,14-/m1/s1
SMILES: C[C@@H]1[C@H](OC(O1)C[C@@H]2COC3([C@H]2CC4=CC=CC=C4)O[C@@H]([C@H](O3)C)C)C
InChI: InChI=1S/C21H30O5/c1-13-14(2)24-20(23-13)11-18-12-22-21(25-15(3)16(4)26-21)19(18)10-17-8-6-5-7-9-17/h5-9,13-16,18-20H,10-12H2,1-4H3/t13-,14-,15-,16-,18-,19+/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)NCC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C48H58N4O8/c1-6-26-57-48-42(52(5)45(55)34-20-18-32(30-49)19-21-34)29-40(51-60-47(2,3)4)38-27-35(16-10-12-24-53)37(17-11-13-25-54)43(44(38)48)39-28-36(22-23-41(39)59-48)58-46(56)50-31-33-14-8-7-9-15-33/h6-9,14-15,18-23,27-28,35,37,42-44,53-54H,1,10-13,16-17,24-26,29,31H2,2-5H3,(H,50,56)/t35-,37+,42-,43+,44+,48+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NN2C(=NN=C2S1)C)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C16H20N4O4S/c1-5-24-15(21)14-13(19-20-9(2)17-18-16(20)25-14)10-6-7-11(22-3)12(8-10)23-4/h6-8,13-14,19H,5H2,1-4H3/t13-,14-/m1/s1