EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=CC(=C1OC)OC)[C@]23[C@@H]4[C@@H](COC4=O)[C@H](C5=CC6=C(C=C52)OCO6)C(=O)O3
InChI: InChI=1S/C23H20O9/c1-26-16-4-10(5-17(27-2)20(16)28-3)23-13-7-15-14(30-9-31-15)6-11(13)18(21(24)32-23)12-8-29-22(25)19(12)23/h4-7,12,18-19H,8-9H2,1-3H3/t12-,18-,19+,23+/m0/s1
SMILES: CC(C)CC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO
InChI: InChI=1S/C28H33IN2O7/c1-17(2)11-26(33)31(15-18-7-8-23-24(12-18)37-16-36-23)21-13-19(28(35)30-9-10-32)14-25(27(21)34)38-22-6-4-3-5-20(22)29/h3-8,12,14,17,21,25,27,32,34H,9-11,13,15-16H2,1-2H3,(H,30,35)/t21-,25+,27+/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=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C6CCC(CC6)CN7C(=O)CC(C7=O)SCC(=O)O)O
InChI: InChI=1S/C41H46N2O16S/c1-17-34(49)22(42-39(54)19-8-6-18(7-9-19)14-43-27(46)11-25(40(43)55)60-16-28(47)48)10-29(58-17)59-24-13-41(56,26(45)15-44)12-21-31(24)38(53)33-32(36(21)51)35(50)20-4-3-5-23(57-2)30(20)37(33)52/h3-5,17-19,22,24-25,29,34,44,49,51,53,56H,6-16H2,1-2H3,(H,42,54)(H,47,48)/t17-,18?,19?,22-,24-,25?,29-,34+,41-/m0/s1
SMILES: C[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4F)C(=O)OC
InChI: InChI=1S/C21H19FN2O5/c1-21(20(28)29-2)16-15(17(23-21)11-7-9-12(25)10-8-11)18(26)24(19(16)27)14-6-4-3-5-13(14)22/h3-10,15-17,23,25H,1-2H3/p+1/t15-,16+,17-,21+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=CC=CS2
InChI: InChI=1S/C12H13F3N2O3S2/c1-2-20-9(18)7-8(6-4-3-5-22-6)16-10(21)17-11(7,19)12(13,14)15/h3-5,7-8,19H,2H2,1H3,(H2,16,17,21)/t7-,8+,11+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1/C(=N\NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])/C2
InChI: InChI=1S/C14H12F3N3O2/c15-14(16,17)9-4-5-11(13(7-9)20(21)22)18-19-12-6-8-2-1-3-10(8)12/h1-2,4-5,7-8,10,18H,3,6H2/b19-12-/t8-,10+/m1/s1
SMILES: B1(O[C@@H]2C3CC(C3(C)C)C[C@@]2(O1)C)[C@H](CC)NC(=O)[C@@H]4C[C@@](C5=NC=C(C(=O)N45)NCC6=CC(=CC=C6)C(F)(F)F)(C)NC(=O)NC7=CC=CC(=C7)C(=O)OC
InChI: InChI=1S/C39H46BF3N6O7/c1-7-29(40-55-30-26-16-24(36(26,2)3)17-38(30,5)56-40)47-31(50)28-18-37(4,48-35(53)46-25-13-9-11-22(15-25)33(52)54-6)34-45-20-27(32(51)49(28)34)44-19-21-10-8-12-23(14-21)39(41,42)43/h8-15,20,24,26,28-30,44H,7,16-19H2,1-6H3,(H,47,50)(H2,46,48,53)/t24?,26?,28-,29-,30+,37+,38-/m0/s1
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC(=CC=C4)Br.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C24H29BrN2O3.C2HF3O2/c1-27-14-18-12-20(26-23(28)16-5-4-6-19(25)11-16)9-10-24(18,15-27)17-7-8-21(29-2)22(13-17)30-3;3-2(4,5)1(6)7/h4-8,11,13,18,20H,9-10,12,14-15H2,1-3H3,(H,26,28);(H,6,7)/t18-,20-,24+;/m1./s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4F)[C@@]([NH2+]2)(C)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-12-8-10-13(11-9-12)18-16-17(22(2,24-18)21(28)29-3)20(27)25(19(16)26)15-7-5-4-6-14(15)23/h4-11,16-18,24H,1-3H3/p+1/t16-,17+,18-,22+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCSCCN)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C19H34N2O12S/c1-8(23)21-10-15(32-19-14(27)12(25)13(26)16(33-19)17(28)29)11(24)9(7-22)31-18(10)30-4-2-5-34-6-3-20/h9-16,18-19,22,24-27H,2-7,20H2,1H3,(H,21,23)(H,28,29)/t9-,10-,11+,12+,13+,14-,15-,16+,18-,19-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@H]4C5=CC(=CC2=C53)C(=O)O)C6=CC=CC=C6
InChI: InChI=1S/C25H23NO2/c27-25(28)17-12-21-18-9-4-8-16(18)14-26-23(15-6-2-1-3-7-15)20-11-5-10-19(20)22(13-17)24(21)26/h1-7,9-10,12-13,16,18-20,23H,8,11,14H2,(H,27,28)/t16-,18-,19-,20+,23+/m1/s1
SMILES: CC1(N2[C@H](CO1)[C@H]([C@@H](C2=O)S(=O)(=O)C3=CC=CC=C3)CC(=O)OC)C
InChI: InChI=1S/C17H21NO6S/c1-17(2)18-13(10-24-17)12(9-14(19)23-3)15(16(18)20)25(21,22)11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-,15+/m1/s1
SMILES: C[C@@H]1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)[C@H]1C4=CC=CC=C4)C=C3
InChI: InChI=1S/C17H18O/c1-10-14-12-7-8-13(9-12)16(14)17(18)15(10)11-5-3-2-4-6-11/h2-8,10,12-16H,9H2,1H3/t10-,12-,13+,14+,15-,16-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@H](CC[C@@]23[C@](O3)([C@@]4([C@@H]1C[C@]5(CC(=O)[C@@H]([C@@H]5C4)C(C)C)C)O)C)C
InChI: InChI=1S/C25H40O3/c1-14(2)21-19-12-24(27)18(11-22(19,5)13-20(21)26)15(3)7-8-17-16(4)9-10-25(17)23(24,6)28-25/h14-19,21,27H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,21+,22-,23+,24+,25-/m0/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+](C)CCC4=CC=CC=N4
InChI: InChI=1S/C23H32N2O2/c1-16-7-6-10-23(2)14-21-18(13-20(16)23)19(22(26)27-21)15-25(3)12-9-17-8-4-5-11-24-17/h4-5,8,11,18-21H,1,6-7,9-10,12-15H2,2-3H3/p+1/t18-,19-,20-,21-,23-/m1/s1
SMILES: C1[C@H]2C[C@H]([C@@H]1C[C@H]2Br)[Si](C3=CC=CC=C3)(Cl)Cl
InChI: InChI=1S/C13H15BrCl2Si/c14-12-7-10-6-9(12)8-13(10)17(15,16)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2/t9-,10-,12+,13+/m0/s1
SMILES: C1CSC(SC1)[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2O)OCC3=CC=CC=C3)O)O)[N+](=O)[O-]
InChI: InChI=1S/C17H23NO6S2/c19-13-11(17-25-7-4-8-26-17)12(18(22)23)14(20)15(21)16(13)24-9-10-5-2-1-3-6-10/h1-3,5-6,11-17,19-21H,4,7-9H2/t11-,12-,13+,14-,15-,16-/m0/s1
SMILES: CCC(CC1=C(C=C(C=C1I)I)I)C(=O)OC2=C(C=C(C(=C2I)CC(CC)C(=O)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CCC6C5CC=C4C3)[C@H](C)CCCC(=O)OC7=C(C=C(C=C7I)I)I)C)C)I)I
InChI: InChI=1S/C53H59I9O6/c1-6-28(19-35-40(56)22-31(54)23-41(35)57)51(65)68-49-45(61)26-42(58)36(47(49)62)20-29(7-2)50(64)66-33-15-17-52(4)30(21-33)11-12-34-38-14-13-37(53(38,5)18-16-39(34)52)27(3)9-8-10-46(63)67-48-43(59)24-32(55)25-44(48)60/h11,22-29,33-34,37-39H,6-10,12-21H2,1-5H3/t27-,28?,29?,33+,34?,37-,38?,39?,52+,53-/m1/s1
SMILES: CC1=CC=C(C=C1)C(C)C.CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N3[CH-]N(N=C3)C4=CC=CC=[C-]4)C.Cl[Ru+2]
InChI: InChI=1S/C20H21N3O2.C10H14.ClH.Ru/c1-20(2)24-13-18(19(25-20)16-9-5-3-6-10-16)22-14-21-23(15-22)17-11-7-4-8-12-17;1-8(2)10-6-4-9(3)5-7-10;;/h3-11,14-15,18-19H,13H2,1-2H3;4-8H,1-3H3;1H;/q-2;;;+3/p-1/t18-,19-;;;/m0.../s1
SMILES: C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)Cl
InChI: InChI=1S/C18H23ClN2O3S/c19-15-6-5-14(11-17(15)25(23,24)21-7-1-2-8-21)18(22)20-16-10-12-3-4-13(16)9-12/h5-6,11-13,16H,1-4,7-10H2,(H,20,22)/t12-,13+,16+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1C3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C
InChI: InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23?,24-,25?,26-,27+,29+,30-,31+,32+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24C1CC[C@](O3)(OO4)C)OC5=CC=C(C=C5)C(F)(F)F)C
InChI: InChI=1S/C22H27F3O5/c1-12-4-9-17-13(2)18(26-15-7-5-14(6-8-15)22(23,24)25)27-19-21(17)16(12)10-11-20(3,28-19)29-30-21/h5-8,12-13,16-19H,4,9-11H2,1-3H3/t12-,13-,16?,17+,18+,19-,20-,21-/m1/s1
SMILES: C1CCNC(=O)/C=C\[C@]23CCC(=O)C[C@H]2OC4=C3C=C(C=C4)/C=C\C(=O)NCCCNC1
InChI: InChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/b7-5-,11-9-/t22-,25+/m1/s1
SMILES: C1[C@H]([C@H]2[C@H]([C@@H]([C@@]1([C@@H]2O)O)O)N3C=NC4=C3N=CN=C4Cl)O
InChI: InChI=1S/C12H13ClN4O4/c13-10-6-11(15-2-14-10)17(3-16-6)7-5-4(18)1-12(21,8(5)19)9(7)20/h2-5,7-9,18-21H,1H2/t4-,5+,7-,8-,9+,12-/m1/s1
SMILES: C1[C@H]2[C@@]1([C@H]([C@@H]([C@H]([C@H]2N)O)O)O)CO
InChI: InChI=1S/C8H15NO4/c9-4-3-1-8(3,2-10)7(13)6(12)5(4)11/h3-7,10-13H,1-2,9H2/t3-,4+,5+,6-,7+,8+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C(=O)C=C(C3=O)Br)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C35H25BrN2O8/c36-27-16-29(40)32-26(33(27)41)15-25-22(30(32)23-11-10-21(14-28(23)39)46-17-18-4-2-1-3-5-18)12-13-24-31(25)35(43)37(34(24)42)19-6-8-20(9-7-19)38(44)45/h1-12,14,16,24-25,30-31,39H,13,15,17H2/t24-,25+,30+,31-/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC
InChI: InChI=1S/C19H18N2O3/c1-12-9-17(12)18-8-7-16(24-18)10-13(11-20)19(22)21-14-3-5-15(23-2)6-4-14/h3-8,10,12,17H,9H2,1-2H3,(H,21,22)/b13-10+/t12-,17+/m0/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)C(Cl)(Cl)Cl)CN4CCOCC4
InChI: InChI=1S/C25H29Cl3N2O5/c1-16-21(14-30-10-12-33-13-11-30)34-23(35-22(16)18-4-2-17(15-31)3-5-18)19-6-8-20(9-7-19)29-24(32)25(26,27)28/h2-9,16,21-23,31H,10-15H2,1H3,(H,29,32)/t16-,21+,22+,23+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OC)/C)[C@H](C)O
InChI: InChI=1S/C18H30O7/c1-9(6-15(20)23-4)5-13-17(22)16(21)12(8-24-13)7-14-18(25-14)10(2)11(3)19/h6,10-14,16-19,21-22H,5,7-8H2,1-4H3/b9-6+/t10-,11-,12-,13-,14-,16+,17-,18-/m0/s1
SMILES: C1[C@H]([C@H](C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)O)CC5=CN=CC=C5
InChI: InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H]2[C@@H](O2)[C@@H](O1)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C16H20O6/c1-10(17)19-9-12-13(14-15(22-14)16(18-2)21-12)20-8-11-6-4-3-5-7-11/h3-7,12-16H,8-9H2,1-2H3/t12-,13-,14+,15+,16+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C23H36N2O2/c26-21(13-23-10-16-7-17(11-23)9-18(8-16)12-23)24-14-22(27)25-6-5-19-3-1-2-4-20(19)15-25/h16-20H,1-15H2,(H,24,26)/t16?,17?,18?,19-,20+,23?/m1/s1
SMILES: CC[C@H]1[C@@H]2CCN([C@H]1C3=C(C2=C)NC4=CC=CC=C43)C
InChI: InChI=1S/C18H22N2/c1-4-12-13-9-10-20(3)18(12)16-14-7-5-6-8-15(14)19-17(16)11(13)2/h5-8,12-13,18-19H,2,4,9-10H2,1,3H3/t12-,13+,18+/m0/s1
SMILES: CCCCOC(=O)CSC1=C([C@H]([C@@H](C(=O)N1)C#N)C2=CC=CC=C2OC)C#N
InChI: InChI=1S/C20H21N3O4S/c1-3-4-9-27-17(24)12-28-20-15(11-22)18(14(10-21)19(25)23-20)13-7-5-6-8-16(13)26-2/h5-8,14,18H,3-4,9,12H2,1-2H3,(H,23,25)/t14-,18-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)NCCCCCCO[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C47H54N4O7/c1-51(2)38-24-22-37(23-25-38)49-50-42-17-11-10-16-41(42)46(53)48-30-12-5-6-13-31-56-45-32-43(52)44(58-45)33-57-47(34-14-8-7-9-15-34,35-18-26-39(54-3)27-19-35)36-20-28-40(55-4)29-21-36/h7-11,14-29,43-45,52H,5-6,12-13,30-33H2,1-4H3,(H,48,53)/t43-,44+,45+/m0/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)OCC5=CC=CC=C5F)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C54H61F2N3O9/c1-5-30-66-54-49(58(34-37-16-21-40(55)22-17-37)50(62)27-20-36-18-23-41(24-19-36)59(63)64)33-47(57-68-53(2,3)4)44-31-38(12-8-10-28-60)43(14-9-11-29-61)51(52(44)54)45-32-42(25-26-48(45)67-54)65-35-39-13-6-7-15-46(39)56/h5-7,13,15-27,31-32,38,43,49,51-52,60-61H,1,8-12,14,28-30,33-35H2,2-4H3/t38-,43+,49-,51+,52+,54+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C
InChI: InChI=1S/C17H21NO5/c1-3-21-17(20)14-7-13(14)9-18(11(2)19)8-12-4-5-15-16(6-12)23-10-22-15/h4-6,13-14H,3,7-10H2,1-2H3/t13-,14+/m0/s1
SMILES: CC1=C2C(C/C(=C\[C@H]3[C@@](C2(C)C)(CC1)OC(O3)(C)C)/C)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H32O4S/c1-16-14-19(29(25,26)18-10-8-7-9-11-18)21-17(2)12-13-24(22(21,3)4)20(15-16)27-23(5,6)28-24/h7-11,15,19-20H,12-14H2,1-6H3/b16-15-/t19?,20-,24+/m0/s1
SMILES: CCC=CC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C27H29ClN2O5/c1-2-3-8-23(32)30(16-17-9-11-18(28)12-10-17)21-15-20(27(34)29-13-14-31)24-19-6-4-5-7-22(19)35-26(24)25(21)33/h3-12,15,21,24-26,31,33H,2,13-14,16H2,1H3,(H,29,34)/t21-,24+,25+,26+/m1/s1
SMILES: C[C@]12[C@@H]3[C@@H]4[C@H](O1)O[C@H]5[C@H]([C@H]3[C@](O5)(O2)C)C4C(OC)OC
InChI: InChI=1S/C14H20O6/c1-13-8-6-5(10(15-3)16-4)7-9(8)14(2,20-13)19-12(7)17-11(6)18-13/h5-12H,1-4H3/t5?,6-,7+,8-,9-,11+,12-,13+,14-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C35H56IN3O8/c1-3-4-5-6-7-8-9-10-11-12-32(42)39(15-14-38-16-19-46-20-17-38)29-23-27(35(44)37-13-18-40)24-30(33(29)43)47-34-28(36)21-26(25-41)22-31(34)45-2/h21-22,24,29-30,33,40-41,43H,3-20,23,25H2,1-2H3,(H,37,44)/t29-,30+,33+/m1/s1
SMILES: C1CC=C2[C@@H](C1)[C@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C20H15F3N4/c21-20(22,23)16-8-4-3-7-14(16)17-13-6-2-1-5-12(13)15(9-24)18(27)19(17,10-25)11-26/h3-5,7-8,13,15,17,27H,1-2,6H2/t13-,15+,17+/m1/s1
SMILES: COC1=C(C=C2C(=C1)CC(N3[C@]24CCCC[C@H]4CC3=O)C=O)OC
InChI: InChI=1S/C19H23NO4/c1-23-16-8-12-7-14(11-21)20-18(22)9-13-5-3-4-6-19(13,20)15(12)10-17(16)24-2/h8,10-11,13-14H,3-7,9H2,1-2H3/t13-,14?,19-/m0/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN[C@@]4(CCS(=O)(=O)C4)C
InChI: InChI=1S/C20H31NO4S/c1-13-5-4-6-19(2)10-17-14(9-16(13)19)15(18(22)25-17)11-21-20(3)7-8-26(23,24)12-20/h14-17,21H,1,4-12H2,2-3H3/t14-,15-,16-,17-,19-,20-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H]2[C@@H]3[C@]2([C@@H]([C@]1(C=C3C)C)C4=CC=C(C=C4)[N+](=O)[O-])C
InChI: InChI=1S/C20H23NO4/c1-5-25-18(22)16-15-14-11(2)10-19(16,3)17(20(14,15)4)12-6-8-13(9-7-12)21(23)24/h6-10,14-17H,5H2,1-4H3/t14-,15+,16-,17-,19+,20-/m1/s1
SMILES: CC(=O)OC[C@@]12[C@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)C1CC([C@H]([C@@H]2O)OC(=O)C7=CC=CC=C7)(C)C)C)O
InChI: InChI=1S/C45H64O14/c1-23(47)56-22-45-26(19-40(2,3)36(35(45)52)59-38(55)24-11-9-8-10-12-24)25-13-14-28-41(4)17-16-30(57-39-33(51)31(49)32(50)34(58-39)37(53)54)42(5,21-46)27(41)15-18-43(28,6)44(25,7)20-29(45)48/h8-13,26-36,39,46,48-52H,14-22H2,1-7H3,(H,53,54)/t26?,27?,28?,29-,30-,31-,32-,33+,34-,35-,36-,39+,41-,42-,43+,44+,45-/m0/s1
SMILES: CC1(C(=O)C2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4C)OC)COC(=O)N)C(=O)C15OCCO5)[Se]C6=CC=CC=C6
InChI: InChI=1S/C24H27N3O7Se/c1-22(35-13-7-5-4-6-8-13)20(29)17-16(19(28)24(22)33-9-10-34-24)14(12-32-21(25)30)23(31-3)18-15(26(18)2)11-27(17)23/h4-8,14-15,18H,9-12H2,1-3H3,(H2,25,30)/t14-,15+,18+,22?,23-,26?/m1/s1
SMILES: C[C@@H]1[C@H](OC2=CC(=C(C=C12)O)OC)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C18H20O5/c1-10-12-8-13(19)16(21-3)9-15(12)23-18(10)11-5-6-14(20-2)17(7-11)22-4/h5-10,18-19H,1-4H3/t10-,18-/m0/s1
SMILES: C1CN(CCC1C2=CC=CC=C2)[C@@H]3CC4=C(C[C@H]3O)C=CC=C4OC/C=C/I
InChI: InChI=1S/C24H28INO2/c25-12-5-15-28-24-9-4-8-20-16-23(27)22(17-21(20)24)26-13-10-19(11-14-26)18-6-2-1-3-7-18/h1-9,12,19,22-23,27H,10-11,13-17H2/b12-5+/t22-,23-/m1/s1
SMILES: CCOC(=O)/C=C(\C)/[C@H]([C@H]1[C@H]2[C@@H]([C@H](CO1)C/C=C/[C@@H](C)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)OC(O2)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C40H76O7Si2/c1-19-42-35(41)23-32(15)36(47-49(28(8)9,29(10)11)30(12)13)38-39-37(44-40(17,18)45-39)34(24-43-38)22-20-21-31(14)33(16)46-48(25(2)3,26(4)5)27(6)7/h20-21,23,25-31,33-34,36-39H,19,22,24H2,1-18H3/b21-20+,32-23+/t31-,33+,34+,36-,37-,38+,39-/m1/s1
SMILES: C1CCC2(CC1)OCC(O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C14H22O9/c15-8-9(16)11(12(18)19)22-13(10(8)17)21-7-6-20-14(23-7)4-2-1-3-5-14/h7-11,13,15-17H,1-6H2,(H,18,19)/t7?,8-,9-,10+,11-,13+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)Cl)N[C@@H]2C(=O)O
InChI: InChI=1S/C19H16Cl2N2O4S/c20-9-5-6-12-10(7-9)16-11(18(22-12)19(24)25)8-15(17(16)21)28-14-4-2-1-3-13(14)23(26)27/h1-7,11,15-18,22H,8H2,(H,24,25)/t11-,15-,16-,17+,18-/m0/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)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=CC=C(C=C5)C(=O)O
InChI: InChI=1S/C34H28F5NO6S/c1-17-24(16-47-23-12-10-21(11-13-23)33(43)44)45-34(46-31(17)20-6-4-19(15-41)5-7-20)22-8-2-18(3-9-22)14-40-32(42)25-26(35)28(37)30(39)29(38)27(25)36/h2-13,17,24,31,34,41H,14-16H2,1H3,(H,40,42)(H,43,44)/t17-,24+,31+,34+/m0/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C16H17FN2O4/c1-16(15(22)23-3)11-10(13(20)19(2)14(11)21)12(18-16)8-5-4-6-9(17)7-8/h4-7,10-12,18H,1-3H3/p+1/t10-,11+,12-,16-/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C52H59N3O12/c1-3-26-64-52-48(54(2)51(59)63-28-27-62-34-36-12-5-4-6-13-36)32-46(53-65-35-37-18-20-40(21-19-37)55(60)61)44-30-39(15-7-9-24-56)43(17-8-10-25-57)49(50(44)52)45-31-42(22-23-47(45)67-52)66-41-16-11-14-38(29-41)33-58/h3-6,11-14,16,18-23,29-31,33,39,43,48-50,56-57H,1,7-10,15,17,24-28,32,34-35H2,2H3/t39-,43+,48-,49+,50+,52+/m0/s1
SMILES: CC[C@@H]1CCCCN1C(=O)COC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C20H31N3O5/c1-3-15-9-5-7-11-22(15)16(24)13-28-17(25)12-23-18(26)20(21-19(23)27)10-6-4-8-14(20)2/h14-15H,3-13H2,1-2H3,(H,21,27)/t14-,15+,20-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@]3(COC([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI: InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23?,24-,25+,26-/m1/s1
SMILES: CC1([C@@H]2COC3=C([C@@H]2NO1)C=C(C=C3)[N+](=O)[O-])C
InChI: InChI=1S/C12H14N2O4/c1-12(2)9-6-17-10-4-3-7(14(15)16)5-8(10)11(9)13-18-12/h3-5,9,11,13H,6H2,1-2H3/t9-,11+/m1/s1
SMILES: C[C@@H]1CC[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)C4=CC(=C(N=C4)OC)N)C)O
InChI: InChI=1S/C28H39N3O7/c1-7-26(4)12-19(38-25(36)31-23(35)16-10-17(29)24(37-6)30-13-16)27(5)14(2)8-9-28(15(3)22(26)34)11-18(32)20(33)21(27)28/h7,10,13-15,18-19,21-22,32,34H,1,8-9,11-12,29H2,2-6H3,(H,31,35,36)/t14-,15+,18+,19-,21+,22+,26-,27+,28+/m1/s1
SMILES: C[C@H](CC(C(=O)O)(Br)Br)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)C
InChI: InChI=1S/C25H36Br2O5/c1-14(11-25(26,27)22(30)31)18-6-7-19-17-5-4-15-10-16(32-13-28)8-9-23(15,2)21(17)20(29)12-24(18,19)3/h13-19,21H,4-12H2,1-3H3,(H,30,31)/t14-,15-,16-,17+,18-,19+,21-,23+,24-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C
InChI: InChI=1S/C22H29N3O4/c1-14-7-3-5-9-18(14)25-21(27)13-29-22(28)20(24-15(2)26)11-16-12-23-19-10-6-4-8-17(16)19/h4,6,8,10,12,14,18,20,23H,3,5,7,9,11,13H2,1-2H3,(H,24,26)(H,25,27)/t14-,18+,20-/m0/s1
SMILES: C[C@H]1[C@H](C[C@@H](N([C@@H]1CO)S(=O)(=O)C2=CC=C(C=C2)C)C=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H37NO4SSi/c1-9-18-14-21(27-29(7,8)22(4,5)6)17(3)20(15-24)23(18)28(25,26)19-12-10-16(2)11-13-19/h9-13,17-18,20-21,24H,1,14-15H2,2-8H3/t17-,18+,20-,21+/m1/s1
SMILES: C1[C@H]2C=C[C@@H]([C@@H]1N3C(=O)N(C(=O)N3)C4=CC=CC=C4)N5N2C(=O)N(C5=O)C6=CC=CC=C6
InChI: InChI=1S/C22H18N6O4/c29-19-23-26(20(30)24(19)14-7-3-1-4-8-14)18-13-16-11-12-17(18)28-22(32)25(21(31)27(16)28)15-9-5-2-6-10-15/h1-12,16-18H,13H2,(H,23,29)/t16-,17+,18-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3OC)OC)O
InChI: InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,17-18,20H,1-3H3/t17-,18+/m0/s1
SMILES: CC(=O)OC[C@]1([C@@H](C[C@H]([C@H]2[C@]1([C@H](C(=O)[C@]3([C@@]2(CCC4=C3OC=C4)C)C)O)COC(=O)C)O)OC(=O)C)O
InChI: InChI=1S/C26H34O11/c1-13(27)35-11-25-19(17(30)10-18(37-15(3)29)26(25,33)12-36-14(2)28)23(4)8-6-16-7-9-34-22(16)24(23,5)20(31)21(25)32/h7,9,17-19,21,30,32-33H,6,8,10-12H2,1-5H3/t17-,18-,19-,21+,23-,24-,25+,26-/m1/s1
SMILES: CN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16-,17-;1-,2-/m01/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N=C3N2C(=CS3)C4=CC=C(C=C4)OC(F)F
InChI: InChI=1S/C16H16F2N2OS/c17-15(18)21-11-7-5-10(6-8-11)14-9-22-16-19-12-3-1-2-4-13(12)20(14)16/h5-9,12-13,15H,1-4H2/t12-,13-/m1/s1
SMILES: CC1=CC2=C(C=C1C)N(C(=S)N2CC3=CC=CC=C3Cl)[C@H]4CC(=O)[C@H]5OC[C@H]4O5
InChI: InChI=1S/C22H21ClN2O3S/c1-12-7-16-17(8-13(12)2)25(18-9-19(26)21-27-11-20(18)28-21)22(29)24(16)10-14-5-3-4-6-15(14)23/h3-8,18,20-21H,9-11H2,1-2H3/t18-,20+,21-/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/t19-,20-,23+,25-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C26H20BrNO3/c1-2-31-16-13-11-15(12-14-16)28-24(29)22-21-17-7-3-5-9-19(17)26(27,23(22)25(28)30)20-10-6-4-8-18(20)21/h3-14,21-23H,2H2,1H3/t21?,22-,23+,26?/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)O)O)OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H22O7/c1-12-3-7-14(8-4-12)19(23)26-11-16-18(17(22)21(25)27-16)28-20(24)15-9-5-13(2)6-10-15/h3-10,16-18,21-22,25H,11H2,1-2H3/t16-,17+,18-,21-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)O[C@H]1CC(O[C@@H]1CO)N2C=C(C(=O)NC2=O)F)N
InChI: InChI=1S/C15H22FN3O6/c1-7(2)3-9(17)14(22)25-10-4-12(24-11(10)6-20)19-5-8(16)13(21)18-15(19)23/h5,7,9-12,20H,3-4,6,17H2,1-2H3,(H,18,21,23)/t9-,10-,11+,12?/m0/s1
SMILES: CCN1C[C@H]([C@@H](C1)C(=O)N2CC[C@@H]([C@]([C@@H]2C)(C3=CC=CC=C3)O)C)C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C26H32F2N2O2/c1-4-29-15-22(21-11-10-20(27)14-24(21)28)23(16-29)25(31)30-13-12-17(2)26(32,18(30)3)19-8-6-5-7-9-19/h5-11,14,17-18,22-23,32H,4,12-13,15-16H2,1-3H3/t17-,18-,22-,23+,26-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2C[NH+](CC3)C)C(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C24H24N2O/c1-16-7-10-22-20(13-16)21-15-25(2)12-11-23(21)26(22)24(27)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21,23H,11-12,15H2,1-2H3/p+1/t21-,23+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+](C)(C)CCOCC2(COC2)COCC[N+](C)(C)CC(=O)O[C@@H]3C[C@@H](CC[C@@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C37H70N2O7/c1-27(2)31-13-11-29(5)19-33(31)45-35(40)21-38(7,8)15-17-42-23-37(25-44-26-37)24-43-18-16-39(9,10)22-36(41)46-34-20-30(6)12-14-32(34)28(3)4/h27-34H,11-26H2,1-10H3/q+2/t29-,30-,31-,32+,33-,34-/m1/s1
SMILES: C1CN(CCN1C2=CC=CC=C2Cl)C(=O)[C@H]3C[C@@H]3C4=CC=C(C=C4)F
InChI: InChI=1S/C20H20ClFN2O/c21-18-3-1-2-4-19(18)23-9-11-24(12-10-23)20(25)17-13-16(17)14-5-7-15(22)8-6-14/h1-8,16-17H,9-13H2/t16-,17+/m1/s1
SMILES: CN1C2=C([C@@H]([C@@H]([C@H](C2)C(=O)OC)C(=O)OC)NC3=CC=CC=C3)C(=O)N(C1=O)C
InChI: InChI=1S/C20H23N3O6/c1-22-13-10-12(18(25)28-3)14(19(26)29-4)16(21-11-8-6-5-7-9-11)15(13)17(24)23(2)20(22)27/h5-9,12,14,16,21H,10H2,1-4H3/t12-,14+,16+/m0/s1
SMILES: C1CC2=C(C=C3C(=C2)C=CC4=CC=CC=C43)[C@H]([C@H]1OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C32H24O4/c33-31(22-10-3-1-4-11-22)35-29-18-17-25-19-24-16-15-21-9-7-8-14-26(21)27(24)20-28(25)30(29)36-32(34)23-12-5-2-6-13-23/h1-16,19-20,29-30H,17-18H2/t29-,30+/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5
InChI: InChI=1S/C21H15ClN2O3S/c22-13-8-10-15(11-9-13)24-18(16-7-4-12-28-16)17-19(27-24)21(26)23(20(17)25)14-5-2-1-3-6-14/h1-12,17-19H/t17-,18-,19-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](NC2=CC=CC=C12)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C18H16N2O/c1-11(21)17-13-7-3-5-9-16(13)20-18(17)14-10-19-15-8-4-2-6-12(14)15/h2-10,17-20H,1H3/t17-,18+/m1/s1
SMILES: CCCCCCNC1=NC(=C2C(=N1)N(C(=N2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C17H28N6O4/c1-3-4-5-6-7-19-17-21-14(18)11-15(22-17)23(9(2)20-11)16-13(26)12(25)10(8-24)27-16/h10,12-13,16,24-26H,3-8H2,1-2H3,(H3,18,19,21,22)/t10-,12-,13-,16-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@H]4C=CO[C@H]4O3)C[C@H](C[C@]25CO5)O)COC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H46O12/c1-17-9-26(43-21(5)34)32(16-39-27(36)10-19(3)42-28(37)11-18(2)41-20(4)33)24(13-23(35)14-31(32)15-40-31)30(17,6)25-12-22-7-8-38-29(22)44-25/h7-8,17-19,22-26,29,35H,9-16H2,1-6H3/t17-,18+,19+,22-,23-,24-,25+,26+,29+,30+,31+,32+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@H]([C@@H](C(O2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C19H22O5/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2/t16-,17-,18+,19?/m0/s1
SMILES: COC(=O)[C@H]1C[C@]23[C@H]1C4=CC=CC=C4C(=O)N2C5=CC=CC=C5S3
InChI: InChI=1S/C19H15NO3S/c1-23-18(22)13-10-19-16(13)11-6-2-3-7-12(11)17(21)20(19)14-8-4-5-9-15(14)24-19/h2-9,13,16H,10H2,1H3/t13-,16-,19-/m0/s1
SMILES: COC(=O)C([C@H]1C[C@@H]2[C@]3(CCN2C=C1C=C(C(=O)OC)C(=O)OC)C4=CC=CC=C4NC3=O)C(=O)OC
InChI: InChI=1S/C26H28N2O9/c1-34-21(29)16(22(30)35-2)11-14-13-28-10-9-26(17-7-5-6-8-18(17)27-25(26)33)19(28)12-15(14)20(23(31)36-3)24(32)37-4/h5-8,11,13,15,19-20H,9-10,12H2,1-4H3,(H,27,33)/t15-,19+,26-/m0/s1
SMILES: C[C@@H]1C[C@H](CN(C1)C(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3[NH2+]2)C
InChI: InChI=1S/C17H29N3O2/c1-11-7-12(2)10-20(9-11)16(21)8-15-17(22)19-14-6-4-3-5-13(14)18-15/h11-15,18H,3-10H2,1-2H3,(H,19,22)/p+1/t11-,12-,13-,14+,15+/m1/s1
SMILES: CC(=O)[C@H]1[C@H]2[C@@H]3CCCC[C@]3(NC1=O)OC4=CC=CC=C24
InChI: InChI=1S/C17H19NO3/c1-10(19)14-15-11-6-2-3-8-13(11)21-17(18-16(14)20)9-5-4-7-12(15)17/h2-3,6,8,12,14-15H,4-5,7,9H2,1H3,(H,18,20)/t12-,14-,15+,17-/m0/s1