EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C[C@@]2([C@H](C1(C)C)C[C@H]3[C@@]4([C@@H]2[C@H](CC[C@H]4OC(O3)(C)C)O[Si](C)(C)C(C)(C)C)C)CCCOCOC
InChI: InChI=1S/C31H56O5Si/c1-21-19-31(16-13-17-33-20-32-10)23(28(21,5)6)18-25-30(9)24(34-29(7,8)35-25)15-14-22(26(30)31)36-37(11,12)27(2,3)4/h19,22-26H,13-18,20H2,1-12H3/t22-,23-,24+,25-,26-,30+,31+/m0/s1
SMILES: CN1C2=C(N=N1)N(C(=O)C=C2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C11H14N4O5/c1-14-5-2-3-7(17)15(10(5)12-13-14)11-9(19)8(18)6(4-16)20-11/h2-3,6,8-9,11,16,18-19H,4H2,1H3/t6-,8+,9-,11-/m0/s1
SMILES: C[NH+](C)[C@@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C21H28ClN3O3/c1-24(2)18(16-9-5-6-10-17(16)22)13-23-19(26)11-12-25-20(27)14-7-3-4-8-15(14)21(25)28/h5-6,9-10,14-15,18H,3-4,7-8,11-13H2,1-2H3,(H,23,26)/p+1/t14-,15-,18-/m0/s1
SMILES: CC(=C1[C@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C#N)C
InChI: InChI=1S/C19H16N2O2/c1-10(2)15-13-7-8-14(15)17-16(13)18(22)21(19(17)23)12-5-3-11(9-20)4-6-12/h3-8,13-14,16-17H,1-2H3/t13-,14-,16-,17+/m1/s1
SMILES: C1CCC(C1)O/N=C(/C2=NSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C[N+]5=C6C=CC=NN6C(=C5)NC(=O)N)C(=O)[O-]
InChI: InChI=1S/C24H25N11O6S2/c25-23(40)28-13-9-33(14-6-3-7-27-35(13)14)8-11-10-42-21-16(20(37)34(21)17(11)22(38)39)29-19(36)15(18-30-24(26)43-32-18)31-41-12-4-1-2-5-12/h3,6-7,9,12,16,21H,1-2,4-5,8,10H2,(H6-,25,26,27,28,29,30,32,36,38,39,40)/b31-15-/t16-,21-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI: InChI=1S/C16H16O6/c1-8(17)20-14-12-10(22-16(2,3)15(14)19)6-4-9-5-7-11(18)21-13(9)12/h4-7,14-15,19H,1-3H3/t14-,15+/m0/s1
SMILES: C1C[C@@H]2C=C[C@H]1[C@H]([C@@H]2C3=CC=C(C=C3)Cl)C#N
InChI: InChI=1S/C15H14ClN/c16-13-7-5-12(6-8-13)15-11-3-1-10(2-4-11)14(15)9-17/h1,3,5-8,10-11,14-15H,2,4H2/t10-,11+,14-,15+/m1/s1
SMILES: C[C@]12C=C[C@H](O1)[C@@H]3[C@@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)OC)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O6/c1-16-6-5-11(24-16)12-13(16)15(20)17(14(12)19)9-4-3-8(23-2)7-10(9)18(21)22/h3-7,11-13H,1-2H3/t11-,12+,13+,16+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)O)Cl)C(=O)NC4=O
InChI: InChI=1S/C23H18ClNO5/c1-9-6-17(27)20-15(21(9)28)8-14-11(4-5-13-19(14)23(30)25-22(13)29)18(20)12-3-2-10(26)7-16(12)24/h2-4,6-7,13-14,18-19,26H,5,8H2,1H3,(H,25,29,30)/t13-,14+,18+,19-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)F)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H21FN2O5/c1-12(23-18(25)15-4-2-3-5-16(15)19(23)26)20(27)28-11-17(24)22-10-13-6-8-14(21)9-7-13/h2-3,6-9,12,15-16H,4-5,10-11H2,1H3,(H,22,24)/t12-,15+,16+/m0/s1
SMILES: C1CC2=CC=CC=C2C3=NN([C@@H]([C@@H]31)C4=CC=CC=C4)C(=O)N
InChI: InChI=1S/C18H17N3O/c19-18(22)21-17(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)16(15)20-21/h1-9,15,17H,10-11H2,(H2,19,22)/t15-,17-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H]([C@]4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5C=C[C@H](O5)COP(=O)(NC(C)C(=O)OC)OC6=CC=CC=C6
InChI: InChI=1S/C47H71N6O16PSSi2/c1-30-25-52(37-22-21-34(65-37)27-63-70(59,49-32(3)42(56)62-10)67-33-19-16-15-17-20-33)43(57)50(39(30)54)23-18-24-51-40(55)31(2)26-53(44(51)58)41-38(68-73(13,14)46(7,8)9)47(35(48)29-71(60,61)69-47)36(66-41)28-64-72(11,12)45(4,5)6/h15-17,19-22,25-26,29,32,34,36-38,41H,18,23-24,27-28,48H2,1-14H3,(H,49,59)/t32?,34-,36+,37+,38-,41+,47+,70?/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)I)Br)O
InChI: InChI=1S/C29H20Br2INO6/c1-39-22-9-12(8-19(30)27(22)36)23-15-6-7-16-24(17(15)10-18-25(23)21(34)11-20(31)26(18)35)29(38)33(28(16)37)14-4-2-13(32)3-5-14/h2-6,8-9,11,16-17,23-24,36H,7,10H2,1H3/t16-,17+,23-,24-/m0/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCC3=CC=CC=C3)[C@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C24H25N3O3/c1-14(2)20-18-19(24(26-20)16-10-6-7-11-17(16)25-23(24)30)22(29)27(21(18)28)13-12-15-8-4-3-5-9-15/h3-11,14,18-20,26H,12-13H2,1-2H3,(H,25,30)/t18-,19-,20+,24+/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C28H35N5O3/c1-20-25(18-32-13-15-33(16-14-32)28-30-11-2-12-31-28)35-27(24-9-3-21(17-29)4-10-24)36-26(20)23-7-5-22(19-34)6-8-23/h2-12,20,25-27,34H,13-19,29H2,1H3/t20-,25+,26+,27?/m0/s1
SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C.CC1(CC(=O)C2(CC3=C(C=CC4=CC=CC=C34)NC2)C(=O)C1)C
InChI: InChI=1S/C20H21NO2.C20H30O2/c1-19(2)10-17(22)20(18(23)11-19)9-15-14-6-4-3-5-13(14)7-8-16(15)21-12-20;1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h3-8,21H,9-12H2,1-2H3;7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t;16-,17+,19+,20+/m.0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C=O)C)O
InChI: InChI=1S/C20H28O2/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h3-4,12,15-18,22H,5-11H2,1-2H3/t15-,16-,17-,18-,19-,20+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CCCCCC[C@H]5[C@@H]6CC[C@H]([C@H]7[C@]68[C@H](OC5=O)O[C@@](CC7)(OO8)C)C
InChI: InChI=1S/C34H50O10/c1-19-11-13-25-21(27(35)37-29-33(25)23(19)15-17-31(3,39-29)41-43-33)9-7-5-6-8-10-22-26-14-12-20(2)24-16-18-32(4)40-30(38-28(22)36)34(24,26)44-42-32/h19-26,29-30H,5-18H2,1-4H3/t19-,20-,21+,22+,23+,24+,25+,26+,29-,30-,31-,32-,33-,34-/m1/s1
SMILES: C[C@@H]([C@@]12C(=C3C(=C4[C@]1(SC5=CC=CC=C54)C)C(C(C3(F)F)(F)F)(F)F)C6=CC=CC=C6S2)OC(=O)OC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C31H19F6NO5S2/c1-15(42-26(39)43-17-13-11-16(12-14-17)38(40)41)28-23(19-8-4-6-10-21(19)45-28)25-24(29(32,33)31(36,37)30(25,34)35)22-18-7-3-5-9-20(18)44-27(22,28)2/h3-15H,1-2H3/t15-,27+,28+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H](NC(=S)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H14BrF3N2O2S/c19-12-8-6-10(7-9-12)14-13(15(25)11-4-2-1-3-5-11)17(26,18(20,21)22)24-16(27)23-14/h1-9,13-14,26H,(H2,23,24,27)/t13-,14-,17-/m1/s1
SMILES: C[C@H]\1C[C@H]2[C@@]34CCC=C[C@@H]3C[C@](O4)(C[C@@]2(/C1=C\C5=CC=CC=C5)O[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H50O3Si2/c1-24-19-28-31-18-14-13-17-26(31)21-30(34-31,23-33-37(8,9)29(2,3)4)22-32(28,35-36(5,6)7)27(24)20-25-15-11-10-12-16-25/h10-13,15-17,20,24,26,28H,14,18-19,21-23H2,1-9H3/b27-20-/t24-,26+,28-,30-,31+,32-/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]2[C@H]([C@H](O[C@H]1O[C@H]([C@H]3COC(O3)(C)C)[C@H]4[C@@H](OC(O4)(C)C)C(OC)OC)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(O2)(C)C
InChI: InChI=1S/C44H57NO12/c1-27(46)45-33-36-35(54-42(4,5)55-36)31(25-50-44(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30)51-39(33)52-34(32-26-49-41(2,3)53-32)37-38(40(47-8)48-9)57-43(6,7)56-37/h10-24,31-40H,25-26H2,1-9H3,(H,45,46)/t31-,32-,33+,34-,35+,36-,37+,38-,39+/m1/s1
SMILES: C1=C(NN(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)F)O)[O-])O)O)C(=O)N
InChI: InChI=1S/C19H27FN8O12P2S/c20-10-12(29)8(39-18(10)27-5-25-11-15(21)23-4-24-17(11)27)1-37-41(33,34)6-42(35,36)38-2-9-13(30)14(31)19(40-9)28-26-7(3-43-28)16(22)32/h3-5,8-10,12-14,18-19,26,29-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/p-2/t8?,9-,10?,12?,13-,14-,18?,19-/m1/s1
SMILES: C1CC2=C(C(=CC=C2)C3CCN(CC3)[C@H]4[C@@H](CC5=C4C=CC(=C5)F)O)OC1
InChI: InChI=1S/C23H26FNO2/c24-18-6-7-19-17(13-18)14-21(26)22(19)25-10-8-15(9-11-25)20-5-1-3-16-4-2-12-27-23(16)20/h1,3,5-7,13,15,21-22,26H,2,4,8-12,14H2/t21-,22-/m1/s1
SMILES: CC1=C([C@]2(C[C@H]([C@@H](C([C@@H]2CC1)(C)C)OC(=O)C)OC(=O)C)C)/C=C\C3=C(CC[C@@]4([C@H]3CC(CC4)(C)C)C(=O)OC)C
InChI: InChI=1S/C35H52O6/c1-21-15-16-35(31(38)39-10)18-17-32(5,6)19-27(35)25(21)12-13-26-22(2)11-14-29-33(7,8)30(41-24(4)37)28(40-23(3)36)20-34(26,29)9/h12-13,27-30H,11,14-20H2,1-10H3/b13-12-/t27-,28+,29-,30-,34+,35+/m0/s1
SMILES: CC1(O[C@@H]2C[C@@]3([C@H]([C@@H]([C@@H]2O1)O[Si](C)(C)C(C)(C)C)OC(O3)(C)C)C(C)(C)OC)C
InChI: InChI=1S/C22H42O6Si/c1-18(2,3)29(11,12)27-16-15-14(24-20(6,7)25-15)13-22(19(4,5)23-10)17(16)26-21(8,9)28-22/h14-17H,13H2,1-12H3/t14-,15-,16-,17+,22-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NCC2=CC=C(S2)C3=CC=CS3)C(=O)NCC4=CC=C(S4)C5=CC=CS5
InChI: InChI=1S/C26H26N2O2S4/c29-25(27-15-17-9-11-23(33-17)21-7-3-13-31-21)19-5-1-2-6-20(19)26(30)28-16-18-10-12-24(34-18)22-8-4-14-32-22/h3-4,7-14,19-20H,1-2,5-6,15-16H2,(H,27,29)(H,28,30)/t19-,20-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@H](C5(C)C)OC(=O)/C=C/CC6=CC(=C(C=C6)OC(=O)C)OC)OC(=O)C)C)C)[C@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C45H62O10/c1-26-18-21-45(39(49)50)23-22-42(7)30(37(45)44(26,9)51)15-17-35-41(6)25-33(54-28(3)47)38(40(4,5)34(41)19-20-43(35,42)8)55-36(48)13-11-12-29-14-16-31(53-27(2)46)32(24-29)52-10/h11,13-16,24,26,33-35,37-38,51H,12,17-23,25H2,1-10H3,(H,49,50)/b13-11+/t26-,33-,34?,35-,37+,38-,41+,42-,43-,44-,45+/m1/s1
SMILES: CC[C@@H]1[C@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)C(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N(C)C(=O)OC
InChI: InChI=1S/C26H25F9N2O4/c1-5-18-20(17-12-14(24(27,28)29)7-8-19(17)37(18)23(39)41-6-2)21(36(3)22(38)40-4)13-9-15(25(30,31)32)11-16(10-13)26(33,34)35/h7-12,18,20-21H,5-6H2,1-4H3/t18-,20+,21?/m1/s1
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[Si](O4)(C(C)(C)C)C(C)(C)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C40H55NO17Si/c1-19-15-30(47)54-27-16-25(13-14-26(19)27)53-37-31(41-20(2)42)34(33-29(55-37)18-49-59(58-33,39(7,8)9)40(10,11)12)57-38-36(52-24(6)46)35(51-23(5)45)32(50-22(4)44)28(56-38)17-48-21(3)43/h13-16,28-29,31-38H,17-18H2,1-12H3,(H,41,42)/t28-,29-,31-,32+,33+,34-,35+,36-,37+,38+/m1/s1
SMILES: CCCCC[C@@H]1[C@H](C=C[C@H]([C@H]1/C=C/C(=O)N2CCCC2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5
InChI: InChI=1S/C31H42N2O4/c1-2-3-5-10-25-26(14-16-30(34)32-17-8-9-18-32)24(23-11-15-28-29(21-23)37-22-36-28)12-13-27(25)31(35)33-19-6-4-7-20-33/h11-16,21,24-27H,2-10,17-20,22H2,1H3/b16-14+/t24-,25-,26+,27-/m0/s1
SMILES: C1=CC(=CC(=C1)I)CO[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)CO)O
InChI: InChI=1S/C13H17IO6/c14-8-3-1-2-7(4-8)6-19-12-10(16)9(5-15)20-13(18)11(12)17/h1-4,9-13,15-18H,5-6H2/t9-,10-,11-,12+,13-/m1/s1
SMILES: CC(=O)N[C@H]1C[C@H](C[C@@]2([C@@H]1O)[C@@H]([C@@H](CO2)CO)NC(=O)C)O
InChI: InChI=1S/C14H24N2O6/c1-7(18)15-11-3-10(20)4-14(13(11)21)12(16-8(2)19)9(5-17)6-22-14/h9-13,17,20-21H,3-6H2,1-2H3,(H,15,18)(H,16,19)/t9-,10-,11+,12-,13-,14+/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI: InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38-,39-,40-,41-,44-,45+/m1/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC[C@@H]([C@@]34CC(=O)OC4)C(=O)SC5=CC=C(C=C5)Cl)C)(C)C)OS(=O)(=O)C
InChI: InChI=1S/C29H39ClO6S2/c1-26(2)21-12-15-28(4)22(27(21,3)14-13-23(26)36-38(5,33)34)11-10-20(29(28)16-24(31)35-17-29)25(32)37-19-8-6-18(30)7-9-19/h6-9,20-23H,10-17H2,1-5H3/t20-,21?,22-,23+,27+,28-,29+/m1/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OCC6=CC=CC=C6)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O
InChI: InChI=1S/C42H62O7/c1-37(2)19-21-42(36(46)48-24-26-11-9-8-10-12-26)22-20-40(6)27(28(42)23-37)13-14-31-39(5)17-16-32(38(3,4)30(39)15-18-41(31,40)7)49-35-34(45)33(44)29(43)25-47-35/h8-13,28-35,43-45H,14-25H2,1-7H3/t28-,29-,30-,31+,32-,33-,34+,35-,39-,40+,41+,42-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35CC[C@@H]4C(C(=O)O5)CC(=O)O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H48O5Si/c1-26(2,3)35(6,7)34-19-10-13-27(4)18(16-19)8-9-23-22(27)11-14-28(5)21-12-15-29(23,28)33-25(32)20(21)17-24(30)31/h18-23H,8-17H2,1-7H3,(H,30,31)/t18-,19+,20?,21-,22+,23-,27+,28-,29+/m1/s1
SMILES: C[C@@H]1[C@H](CCC=C[C@@H]1S(=O)(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H32O3SSi/c1-16-18(23-25(5,6)20(2,3)4)14-10-11-15-19(16)24(21,22)17-12-8-7-9-13-17/h7-9,11-13,15-16,18-19H,10,14H2,1-6H3/t16-,18+,19+/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)OC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@H]5[C@H](O4)CO[Si](O[Si](O5)(C(C)C)C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C)N)C
InChI: InChI=1S/C34H57N5O6Si3/c1-19(2)47(20(3)4)40-17-26-29(44-48(45-47,21(5)6)22(7)8)30(43-46(12,13)14)33(41-26)39-18-36-27-31(39)37-34(35)38-32(27)42-28-24(10)15-23(9)16-25(28)11/h15-16,18-22,26,29-30,33H,17H2,1-14H3,(H2,35,37,38)/t26-,29-,30-,33-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@H](C2=C([C@@H]3[C@H]1C3)C(=O)OC2)C(C)CCC=C(C)C)OC(=O)C
InChI: InChI=1S/C22H32O4/c1-12(2)7-6-8-13(3)20-18-11-25-22(24)21(18)17-10-16(17)14(4)9-19(20)26-15(5)23/h7,13-14,16-17,19-20H,6,8-11H2,1-5H3/t13?,14-,16+,17+,19-,20+/m1/s1
SMILES: CC[C@]12CCC[C@@]3([C@H]1[C@H]4[C@@](O3)(CCC[C@]4(O2)O)CC)O
InChI: InChI=1S/C16H26O4/c1-3-13-7-5-9-15(17)11(13)12-14(4-2,20-15)8-6-10-16(12,18)19-13/h11-12,17-18H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16+/m0/s1
SMILES: C[N+]1=NN=CC1C2=CC(=C3C(=C2)C=CO3)CO[C@H]4CCCN([C@H]4C5=CC=CC=C5)CC6=NNN=C6CN(C)C.Cl
InChI: InChI=1S/C29H35N8O2.ClH/c1-35(2)17-24-25(32-33-31-24)18-37-12-7-10-27(28(37)20-8-5-4-6-9-20)39-19-23-15-22(26-16-30-34-36(26)3)14-21-11-13-38-29(21)23;/h4-6,8-9,11,13-16,26-28H,7,10,12,17-19H2,1-3H3,(H,31,32,33);1H/q+1;/t26?,27-,28-;/m0./s1
SMILES: CCN(CCO)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
InChI: InChI=1S/C43H58N2O14/c1-11-45(16-17-46)31(48)20-56-30-19-28-38(52)33-32(30)34-40(26(7)37(33)51)59-43(9,41(34)53)57-18-15-29(55-10)23(4)39(58-27(8)47)25(6)36(50)24(5)35(49)21(2)13-12-14-22(3)42(54)44-28/h12-15,18-19,21,23-25,29,35-36,39,46,49-52H,11,16-17,20H2,1-10H3,(H,44,54)/b13-12+,18-15+,22-14-/t21-,23+,24+,25+,29-,35-,36+,39+,43-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H31NO11/c1-10(25)22-14-19(33-21-18(29)17(28)15(26)12(7-23)32-21)16(27)13(8-24)31-20(14)30-9-11-5-3-2-4-6-11/h2-6,12-21,23-24,26-29H,7-9H2,1H3,(H,22,25)/t12-,13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2
InChI: InChI=1S/C20H29N3O2S2/c1-10-7-6-8-15(11(10)2)21-18(24)14(5)26-9-16-22-19(25)17-12(3)13(4)27-20(17)23-16/h10-11,14-15H,6-9H2,1-5H3,(H,21,24)(H,22,23,25)/t10-,11-,14+,15-/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)OCC=C)CN4CC5(CC4CC(C5)(C)C)C
InChI: InChI=1S/C33H44N2O5/c1-6-15-38-31(37)34-26-13-11-25(12-14-26)30-39-28(18-35-21-33(5)17-27(35)16-32(3,4)20-33)22(2)29(40-30)24-9-7-23(19-36)8-10-24/h6-14,22,27-30,36H,1,15-21H2,2-5H3,(H,34,37)/t22-,27?,28+,29+,30+,33?/m0/s1
SMILES: CCN1C(=C(C(=N1)C)/C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](CC[C@@]5([C@H]4CC[C@@]3(C2=O)C)C)O)C
InChI: InChI=1S/C27H38N2O2/c1-6-29-17(3)22(16(2)28-29)13-18-14-24-21-8-7-19-15-20(30)9-11-26(19,4)23(21)10-12-27(24,5)25(18)31/h7,13,20-21,23-24,30H,6,8-12,14-15H2,1-5H3/b18-13-/t20-,21-,23+,24+,26+,27+/m1/s1
SMILES: CC[C@@]12CCC(=O)C([C@@H]1N(CC=C2)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C19H22N2O5/c1-3-19-10-6-12-20(18(23)26-2)17(19)16(15(22)9-11-19)13-7-4-5-8-14(13)21(24)25/h4-8,10,16-17H,3,9,11-12H2,1-2H3/t16?,17-,19+/m0/s1
SMILES: C[C@@H]1CN(C[C@@H]1NC(=O)C2=CC(=C(C=C2OC)NC)Cl)CC3=CC=CC=C3
InChI: InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1
SMILES: COC1=CC=C(C=C1)N[C@@H]([C@H]2OC3=CC=CC=C3[S@@]2=O)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO3S/c1-24-17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21-25-18-9-5-6-10-19(18)26(21)23/h2-14,20-22H,1H3/t20-,21+,26+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)OC
InChI: InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,15-17H,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
SMILES: CC(=O)OCCCN1C=C([C@@H]2C[C@H]1C3=CC4=CC=CC=C4N3[C@H]2C(=O)OC)/C=C/C(=O)OC
InChI: InChI=1S/C25H28N2O6/c1-16(28)33-12-6-11-26-15-18(9-10-23(29)31-2)19-14-21(26)22-13-17-7-4-5-8-20(17)27(22)24(19)25(30)32-3/h4-5,7-10,13,15,19,21,24H,6,11-12,14H2,1-3H3/b10-9+/t19-,21-,24+/m0/s1
SMILES: CCCCC[C@H]1C[C@@H]1C(=O)N/N=C\C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H21N3O3/c1-2-3-4-5-13-10-15(13)16(20)18-17-11-12-6-8-14(9-7-12)19(21)22/h6-9,11,13,15H,2-5,10H2,1H3,(H,18,20)/b17-11-/t13-,15-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@@H](C2=C1C(=C3C(=O)C=CC(=O)C3=C2O)O)O)O)O
InChI: InChI=1S/C14H12O7/c15-5-1-2-6(16)10-9(5)11(18)4-3-7(17)12(19)14(21)8(4)13(10)20/h1-2,7,12,14,17-21H,3H2/t7-,12-,14+/m0/s1
SMILES: CCC=CC(=O)N(CC1=CC=C(C=C1)C)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C28H33IN2O5/c1-3-4-9-26(33)31(18-20-12-10-19(2)11-13-20)23-16-21(28(35)30-14-15-32)17-25(27(23)34)36-24-8-6-5-7-22(24)29/h4-13,17,23,25,27,32,34H,3,14-16,18H2,1-2H3,(H,30,35)/t23-,25+,27+/m1/s1
SMILES: C1=CC=C(C=C1)OC[C@@H]2[C@@H]([C@H]([C@H](N(S(=O)(=O)N2CC3=CC(=CC=C3)I)CC(=O)NC4=NC=CS4)COC5=CC=CC=C5)O)O
InChI: InChI=1S/C30H31IN4O7S2/c31-22-9-7-8-21(16-22)17-34-25(19-41-23-10-3-1-4-11-23)28(37)29(38)26(20-42-24-12-5-2-6-13-24)35(44(34,39)40)18-27(36)33-30-32-14-15-43-30/h1-16,25-26,28-29,37-38H,17-20H2,(H,32,33,36)/t25-,26-,28+,29+/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](C[C@@H](O4)N5C=NC6=C(NC=NC65)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79)O
InChI: InChI=1S/C46H43N5O7/c1-54-32-20-16-30(17-21-32)46(29-10-4-3-5-11-29,31-18-22-33(55-2)23-19-31)57-26-40-39(52)24-41(58-40)51-28-49-42-43(47-27-48-44(42)51)50-45(53)56-25-38-36-14-8-6-12-34(36)35-13-7-9-15-37(35)38/h3-23,27-28,38-41,44,52H,24-26H2,1-2H3,(H,47,48)(H,50,53)/t39-,40+,41+,44?/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1[C@H]3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCCC(C)(C)C(=O)O)C)CO
InChI: InChI=1S/C38H62O5/c1-24(2)25-14-20-38(23-39)22-21-36(8)26(31(25)38)12-13-28-35(7)18-16-29(34(5,6)27(35)15-19-37(28,36)9)43-30(40)11-10-17-33(3,4)32(41)42/h25-29,31,39H,1,10-23H2,2-9H3,(H,41,42)/t25-,26+,27-,28?,29-,31?,35-,36+,37+,38+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]([C@@H]2OC1=O)O)C
InChI: InChI=1S/C13H20O5/c1-3-17-12(15)10-8-5-4-7(2)6-9(14)11(8)18-13(10)16/h7-11,14H,3-6H2,1-2H3/t7-,8+,9+,10-,11-/m1/s1
SMILES: CS(=O)(=O)C1=CC=CC=C1OC2=CC=C(C=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4
InChI: InChI=1S/C20H22N2O4S/c1-27(24,25)19-5-3-2-4-18(19)26-15-9-6-13(7-10-15)20(23)22-17-12-14-8-11-16(17)21-14/h2-7,9-10,14,16-17,21H,8,11-12H2,1H3,(H,22,23)/t14-,16+,17-/m1/s1
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C19H25NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h11-12H,2-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC
InChI: InChI=1S/C17H30N2O3/c1-12-6-4-5-7-15(12)18-16(20)13(2)19-10-8-14(9-11-19)17(21)22-3/h12-15H,4-11H2,1-3H3,(H,18,20)/p+1/t12-,13-,15-/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCCO)C)C)C(C)C
InChI: InChI=1S/C31H52O2/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(33-19-18-32)14-16-30(24,5)29(26)15-17-31(27,28)6/h8-10,21-23,25-29,32H,7,11-20H2,1-6H3/b9-8+/t22-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C3=CC=C(C=C3)C(=O)NC)O
InChI: InChI=1S/C23H28N2O7/c1-12(26)17-16-10-15(13-6-8-14(9-7-13)19(27)24-5)18(25(16)20(17)28)21(29)31-11-32-22(30)23(2,3)4/h6-9,12,16-17,26H,10-11H2,1-5H3,(H,24,27)/t12-,16-,17-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](C=C[C@@H]([C@@H]2O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H26O4/c1-23(2)26-21-19(24-15-17-9-5-3-6-10-17)13-14-20(22(21)27-23)25-16-18-11-7-4-8-12-18/h3-14,19-22H,15-16H2,1-2H3/t19-,20-,21-,22+/m0/s1
SMILES: CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@H]5CCN[C@H]5C4
InChI: InChI=1S/C21H24FN3O3/c1-11-18-14(12-2-3-12)8-15(21(27)28)20(26)25(18)9-16(22)19(11)24-7-5-13-4-6-23-17(13)10-24/h8-9,12-13,17,23H,2-7,10H2,1H3,(H,27,28)/t13-,17+/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](C2=CC=CC=C2N1)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C29H27N/c1-4-12-22(13-5-1)20-25-21-30-27-19-11-10-18-26(27)29(24-16-8-3-9-17-24)28(25)23-14-6-2-7-15-23/h1-19,25,28-30H,20-21H2/t25-,28+,29-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CCC4=CC=CC=C4[C@@H]3N=C2C5=CC=CC=C5
InChI: InChI=1S/C24H22N2O2S/c1-17-11-14-20(15-12-17)29(27,28)26-22-16-13-18-7-5-6-10-21(18)23(22)25-24(26)19-8-3-2-4-9-19/h2-12,14-15,22-23H,13,16H2,1H3/t22-,23+/m1/s1
SMILES: CC1=C2[C@H]3C=CCC(=O)[C@@H]4[C@H]3[C@@H](C5=C(C4)N(C(=O)N(C5=O)C)C)NC2=CC=C1
InChI: InChI=1S/C22H23N3O3/c1-11-6-4-8-14-17(11)12-7-5-9-16(26)13-10-15-19(20(23-14)18(12)13)21(27)25(3)22(28)24(15)2/h4-8,12-13,18,20,23H,9-10H2,1-3H3/t12-,13-,18+,20+/m1/s1
SMILES: C[C@@H]1/C=C/C(C([C@@H]([C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2(C1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C)O)OC(=O)C)(C)C
InChI: InChI=1S/C37H48O14/c1-19-16-17-35(8,9)33(49-24(6)41)28(43)30(47-22(4)39)20(2)29(46-21(3)38)27-32(50-34(44)26-14-12-11-13-15-26)36(10,51-25(7)42)18-37(27,45)31(19)48-23(5)40/h11-17,19,27-33,43,45H,2,18H2,1,3-10H3/b17-16+/t19-,27+,28-,29+,30+,31?,32-,33?,36-,37-/m1/s1
SMILES: CC[NH+](CC)CC.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=O)([O-])OC8=CC=C(C=C8)Cl
InChI: InChI=1S/C44H39ClN5O9P.C6H15N/c1-54-34-19-13-31(14-20-34)44(30-11-7-4-8-12-30,32-15-21-35(55-2)22-16-32)56-26-38-37(59-60(52,53)58-36-23-17-33(45)18-24-36)25-39(57-38)50-28-48-40-41(46-27-47-42(40)50)49-43(51)29-9-5-3-6-10-29;1-4-7(5-2)6-3/h3-24,27-28,37-39H,25-26H2,1-2H3,(H,52,53)(H,46,47,49,51);4-6H2,1-3H3/t37-,38+,39+;/m0./s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H31NO6/c1-21(31)30-26-28(35-19-24-15-9-4-10-16-24)27(34-18-23-13-7-3-8-14-23)25(36-29(26)32)20-33-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3,(H,30,31)/t25-,26-,27-,28-/m1/s1
SMILES: C1CC2([C@@H]([C@H](C1[C@H]([C@H]2C(=O)O)C(=O)O)C(=O)O)C(=O)O)C3=CC=CC=C3
InChI: InChI=1S/C18H18O8/c19-14(20)10-9-6-7-18(12(10)16(23)24,8-4-2-1-3-5-8)13(17(25)26)11(9)15(21)22/h1-5,9-13H,6-7H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)/t9?,10-,11+,12-,13-,18?/m0/s1
SMILES: CC/C=C\C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(O2)O)OC3CCCCO3)OC(C)(C)OC
InChI: InChI=1S/C24H40O6/c1-5-6-7-10-17(30-24(2,3)26-4)12-13-18-19-15-22(25)28-21(19)16-20(18)29-23-11-8-9-14-27-23/h6-7,12-13,17-23,25H,5,8-11,14-16H2,1-4H3/b7-6-,13-12+/t17-,18+,19+,20+,21-,22?,23?/m0/s1
SMILES: CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC(=CN5C=C4)C#N)C(=O)O
InChI: InChI=1S/C22H19N9O5S2/c1-2-36-27-14(17-26-22(24)38-28-17)18(32)25-15-19(33)31-16(21(34)35)12(10-37-20(15)31)9-30-6-5-29-8-11(7-23)3-4-13(29)30/h3-6,8,15,20H,2,9-10H2,1H3,(H3-,24,25,26,28,32,34,35)/p+1/b27-14-/t15-,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)(F)F)O
InChI: InChI=1S/C22H29F2N3O5Si/c1-21(2,3)33(4,5)31-13-15-17(28)22(23,24)19(32-15)27-12-11-16(26-20(27)30)25-18(29)14-9-7-6-8-10-14/h6-12,15,17,19,28H,13H2,1-5H3,(H,25,26,29,30)/t15-,17-,19-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)OC4=C(C=CC5=C4C(=CN5COCC6=CC=CC=C6)C(=O)O3)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C51H47NO9/c53-50-41-28-52(35-55-30-37-18-8-2-9-19-37)42-26-27-43(56-31-38-20-10-3-11-21-38)46(45(41)42)61-51-49(60-50)48(58-33-40-24-14-5-15-25-40)47(57-32-39-22-12-4-13-23-39)44(59-51)34-54-29-36-16-6-1-7-17-36/h1-28,44,47-49,51H,29-35H2/t44-,47-,48+,49-,51+/m1/s1
SMILES: C1[C@@H](N2[C@H]([C@H]([C@@H]([C@H]([C@@H]2O1)O)O)O)C#N)C3=CC=CC=C3
InChI: InChI=1S/C14H16N2O4/c15-6-9-11(17)12(18)13(19)14-16(9)10(7-20-14)8-4-2-1-3-5-8/h1-5,9-14,17-19H,7H2/t9-,10+,11+,12-,13+,14-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4[C@H](CO)O)O
InChI: InChI=1S/C20H26N2O4/c1-26-13-2-3-17-15(9-13)14(4-6-21-17)20(25)18-8-12-5-7-22(18)10-16(12)19(24)11-23/h2-4,6,9,12,16,18-20,23-25H,5,7-8,10-11H2,1H3/t12-,16-,18-,19-,20+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)NCCCCCC4CNCCNCCC(=O)[N-]CCNC4)N3C.O=[99Tc+]=O
InChI: InChI=1S/C31H52N6O2.2O.Tc/c1-23-7-9-25(10-8-23)27-20-26-11-12-28(37(26)2)30(27)31(39)36-14-5-3-4-6-24-21-33-17-16-32-15-13-29(38)35-19-18-34-22-24;;;/h7-10,24,26-28,30,32-34H,3-6,11-22H2,1-2H3,(H2,35,36,38,39);;;/q;;;+1/p-1/t24?,26-,27+,28+,30-;;;/m0.../s1/i;;;1+1