EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OCC2=CC=CC=C2CO[N+](=O)[O-])CC[C@H](COC3=CC=CC(=C3)C(F)(F)F)O)O
InChI: InChI=1S/C31H38F3NO9/c32-31(33,34)23-10-7-11-25(16-23)42-20-24(36)14-15-27-26(28(37)17-29(27)38)12-3-1-2-4-13-30(39)43-18-21-8-5-6-9-22(21)19-44-35(40)41/h1,3,5-11,16,24,26-29,36-38H,2,4,12-15,17-20H2/b3-1-/t24-,26-,27-,28+,29-/m1/s1
SMILES: CCCCCCCC(=O)N(CCC1=CC2=CC=CC=C2N1)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO
InChI: InChI=1S/C35H45N3O7/c1-3-4-5-6-7-12-30(41)38(15-13-24-19-23-10-8-9-11-27(23)37-24)28-20-26(35(43)36-14-16-39)31-25-17-22(21-40)18-29(44-2)33(25)45-34(31)32(28)42/h8-11,17-20,28,31-32,34,37,39-40,42H,3-7,12-16,21H2,1-2H3,(H,36,43)/t28-,31+,32+,34+/m1/s1
SMILES: C[C@@H]1[C@@H]2CC[C@]3(C=CC[C@@]([C@@H]3[C@@H]2OC1=O)(C)O)C
InChI: InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h4,6,9-12,17H,5,7-8H2,1-3H3/t9-,10+,11-,12-,14-,15-/m1/s1
SMILES: CCOC(=O)/C=C/C[C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C28H42O4/c1-5-32-26(31)8-6-7-25(30)18(2)22-11-12-23-21-10-9-19-17-20(29)13-15-27(19,3)24(21)14-16-28(22,23)4/h6,8,17-18,21-25,30H,5,7,9-16H2,1-4H3/b8-6+/t18-,21-,22+,23-,24-,25-,27-,28+/m0/s1
SMILES: C/C=C(/CNC(=O)C(F)(F)F)\[C@@H]1C[C@@H]2[C@](C1)(O2)C(=C)C3=CC=CC=C3N4CN(C(=O)N(C4)C)C
InChI: InChI=1S/C24H29F3N4O3/c1-5-16(12-28-21(32)24(25,26)27)17-10-20-23(11-17,34-20)15(2)18-8-6-7-9-19(18)31-13-29(3)22(33)30(4)14-31/h5-9,17,20H,2,10-14H2,1,3-4H3,(H,28,32)/b16-5-/t17-,20-,23-/m1/s1
SMILES: C/C/1=C/CC[C@@]23[C@@H](O2)[C@H](C4=C(C1)C(=O)C=CC4=O)OC3=O
InChI: InChI=1S/C16H14O5/c1-8-3-2-6-16-14(21-16)13(20-15(16)19)12-9(7-8)10(17)4-5-11(12)18/h3-5,13-14H,2,6-7H2,1H3/b8-3-/t13-,14-,16-/m0/s1
SMILES: CC[N+](C)(C)CC1C2CC[C@@H](C3[C@@]2([C@H]4[C@](O4)(CC3)C)OC1=O)C.[I-]
InChI: InChI=1S/C19H32NO3.HI/c1-6-20(4,5)11-13-15-8-7-12(2)14-9-10-18(3)17(23-18)19(14,15)22-16(13)21;/h12-15,17H,6-11H2,1-5H3;1H/q+1;/p-1/t12-,13?,14?,15?,17+,18+,19+;/m0./s1
SMILES: CCOC1=C(C=C(C=N1)C(F)(F)F)[C@H]2C[C@@]3(CCCN[C@H]3C4=CC=CC=C4)OC2
InChI: InChI=1S/C22H25F3N2O2/c1-2-28-20-18(11-17(13-27-20)22(23,24)25)16-12-21(29-14-16)9-6-10-26-19(21)15-7-4-3-5-8-15/h3-5,7-8,11,13,16,19,26H,2,6,9-10,12,14H2,1H3/t16-,19-,21+/m0/s1
SMILES: C1CCC(=CC1)C#CC2=CC3=C(C=C2)NC(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCCC9=CC=CC=N9
InChI: InChI=1S/C50H46N4O6/c55-29-30-59-39-21-12-19-37(32-39)46-50(40-31-34(24-25-41(40)53-49(50)58)23-22-33-13-4-1-5-14-33)42(47(56)52-28-26-38-20-10-11-27-51-38)44-48(57)60-45(36-17-8-3-9-18-36)43(54(44)46)35-15-6-2-7-16-35/h2-3,6-13,15-21,24-25,27,31-32,42-46,55H,1,4-5,14,26,28-30H2,(H,52,56)(H,53,58)/t42-,43-,44-,45+,46+,50-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=CC=CC=C4F
InChI: InChI=1S/C19H21FN2O2S/c1-13-7-8-17-14(11-13)15-12-21(2)10-9-18(15)22(17)25(23,24)19-6-4-3-5-16(19)20/h3-8,11,15,18H,9-10,12H2,1-2H3/t15-,18+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C/C=C/CN3CCN(CC3)C4=NSC5=CC=CC=C54
InChI: InChI=1S/C23H28N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-6,9-10,17-18H,1-2,7-8,11-16H2/b6-5+/t17-,18+
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CO3)C(=O)N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H20N2O5/c1-3-26-19(25)20(2)15-14(16(21-20)13-10-7-11-27-13)17(23)22(18(15)24)12-8-5-4-6-9-12/h4-11,14-16,21H,3H2,1-2H3/p+1/t14-,15-,16-,20+/m0/s1
SMILES: C[N+]12CC[C@@]34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N(C(=O)C[C@@H]6OCC=C5C2)C7=CC=CC=C47
InChI: InChI=1S/C22H25N2O2/c1-24-8-7-22-15-4-2-3-5-16(15)23-19(25)11-17-20(21(22)23)14(10-18(22)24)13(12-24)6-9-26-17/h2-6,14,17-18,20-21H,7-12H2,1H3/q+1/t14-,17-,18-,20-,21-,22+,24?/m0/s1
SMILES: C1[C@@H]([C@H]2CO[C@H](C1=O)O2)N3C(=S)N(C(=N3)C4=CC=NC=C4)C5=CC=CC=C5
InChI: InChI=1S/C19H16N4O3S/c24-15-10-14(16-11-25-18(15)26-16)23-19(27)22(13-4-2-1-3-5-13)17(21-23)12-6-8-20-9-7-12/h1-9,14,16,18H,10-11H2/t14-,16+,18-/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4O3)C5=CC(=C(C=C5)O)O)C
InChI: InChI=1S/C23H22N4O4/c1-23(2)10-14-19(17(30)11-23)20(12-7-8-15(28)16(29)9-12)26-21(24-14)27-22-25-13-5-3-4-6-18(13)31-22/h3-10,19-20,28-29H,11H2,1-2H3,(H2,24,25,26,27)/t19-,20-/m1/s1
SMILES: C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H12N2O6/c1-2-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)19-10/h1,3,6-8,10,14-16H,4H2,(H,12,17,18)/t6-,7-,8-,10-/m1/s1
SMILES: C/C(=C\1/CC[C@@H]2[C@@H](C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4)/Cl
InChI: InChI=1S/C25H24ClN3O7/c1-15(26)19-11-12-20-22(27-21(30)14-35-18-5-3-2-4-6-18)24(31)28(20)23(19)25(32)36-13-16-7-9-17(10-8-16)29(33)34/h2-10,20,22-23H,11-14H2,1H3,(H,27,30)/b19-15+/t20-,22+,23?/m1/s1
SMILES: C[C@H]1CCC=C([C@@]12CC(=C[C@@H]2OC(=O)C)C3(OCCO3)C)C
InChI: InChI=1S/C18H26O4/c1-12-6-5-7-13(2)18(12)11-15(10-16(18)22-14(3)19)17(4)20-8-9-21-17/h6,10,13,16H,5,7-9,11H2,1-4H3/t13-,16-,18-/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C(=C4CCC3C1CC[C@@H]2OC)C(F)(F)F)C5=CC=C(C=C5)/C=N/O
InChI: InChI=1S/C27H30F3NO3/c1-26-13-20(16-5-3-15(4-6-16)14-31-33)24-17-9-11-22(32)25(27(28,29)30)18(17)7-8-19(24)21(26)10-12-23(26)34-2/h3-6,14,19-21,23,33H,7-13H2,1-2H3/b31-14+/t19?,20-,21?,23+,26+/m1/s1
SMILES: C1C[NH+](CC[NH+]1C[C@H]2C[C@H]3C[C@@H]2C=C3)CC4=CN=CC=C4
InChI: InChI=1S/C18H25N3/c1-2-16(12-19-5-1)13-20-6-8-21(9-7-20)14-18-11-15-3-4-17(18)10-15/h1-5,12,15,17-18H,6-11,13-14H2/p+2/t15-,17+,18-/m1/s1
SMILES: CC1=C(N2[C@@H](CO1)[C@@H](C2=O)[C@@H](C)OC(=O)C)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C19H21NO6/c1-11(26-13(3)21)16-15-10-24-12(2)17(20(15)18(16)22)19(23)25-9-14-7-5-4-6-8-14/h4-8,11,15-16H,9-10H2,1-3H3/t11-,15+,16+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@]([C@@](C(=O)N1C)(C)NC)(C2=CC=CC=C2)O
InChI: InChI=1S/C16H22N2O4/c1-5-22-13(19)12-16(21,11-9-7-6-8-10-11)15(2,17-3)14(20)18(12)4/h6-10,12,17,21H,5H2,1-4H3/t12-,15+,16+/m1/s1
SMILES: COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H22N2O7/c1-29-21(28)15-8-4-5-9-16(15)22-17(24)12-30-18(25)10-11-23-19(26)13-6-2-3-7-14(13)20(23)27/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,24)/t13-,14+
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C=C
InChI: InChI=1S/C36H29Cl2FN2O7/c1-4-18-5-9-21(10-6-18)40-31(43)24-14-13-23-25(28(24)32(40)44)17-35(37)33(45)41(22-11-7-20(39)8-12-22)34(46)36(35,38)29(23)19-15-26(47-2)30(42)27(16-19)48-3/h4-13,15-16,24-25,28-29,42H,1,14,17H2,2-3H3/t24-,25+,28-,29-,35+,36-/m0/s1
SMILES: CC1=CC=C(C=C1)/C=C/2\CN3[C@H]4CC[C@@H]3[C@H]([C@@H]2C4)C(=O)OC
InChI: InChI=1S/C19H23NO2/c1-12-3-5-13(6-4-12)9-14-11-20-15-7-8-17(20)18(16(14)10-15)19(21)22-2/h3-6,9,15-18H,7-8,10-11H2,1-2H3/b14-9+/t15-,16+,17+,18-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20-,22+,23+,24-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)NP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI: InChI=1S/C47H60N5O13PSi/c1-29-25-51(44(55)48-42(29)53)40-23-36(38(63-40)28-62-67(8,9)46(3,4)5)50-66(57,58)61-27-39-37(24-41(64-39)52-26-30(2)43(54)49-45(52)56)65-47(31-13-11-10-12-14-31,32-15-19-34(59-6)20-16-32)33-17-21-35(60-7)22-18-33/h10-22,25-26,36-41H,23-24,27-28H2,1-9H3,(H,48,53,55)(H,49,54,56)(H2,50,57,58)/t36-,37-,38+,39+,40+,41+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CC=CC=C4)CCCO
InChI: InChI=1S/C25H29N3O4/c1-2-31-25-18(11-8-14-29)19(17-9-4-3-5-10-17)15-22(32-25)24(30)26-16-23-27-20-12-6-7-13-21(20)28-23/h3-7,9-10,12-13,15,18-19,25,29H,2,8,11,14,16H2,1H3,(H,26,30)(H,27,28)/t18-,19+,25+/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H](C(=C(C[C@@]1(C)O)NC2=CC=CC=C2)C(=O)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C23H24ClNO3/c1-14(26)20-19(25-18-7-5-4-6-8-18)13-23(3,28)22(15(2)27)21(20)16-9-11-17(24)12-10-16/h4-12,21-22,25,28H,13H2,1-3H3/t21-,22-,23-/m1/s1
SMILES: CCCCN1[C@@H]([C@@H](CC1=O)C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H26N2O4/c1-3-4-13-26-22(27)14-21(23(26)19-9-11-20(29-2)12-10-19)24(28)30-16-18-7-5-17(15-25)6-8-18/h5-12,21,23H,3-4,13-14,16H2,1-2H3/t21-,23-/m1/s1
SMILES: CC(C)CN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C26H29ClN2O/c1-19(2)16-29(26(30)24-15-23(24)20-9-4-3-5-10-20)18-22-12-8-14-28(22)17-21-11-6-7-13-25(21)27/h3-14,19,23-24H,15-18H2,1-2H3/t23-,24-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC(=O)NCC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H76FN3O8/c1-4-7-8-9-10-11-12-13-17-26-52(63)60(39-41-27-29-44(57)30-28-41)51-38-49(59-66-40-42-22-15-14-16-23-42)47-36-43(24-18-20-33-61)46(25-19-21-34-62)53-48-37-45(67-55(64)58-6-3)31-32-50(48)68-56(51,54(47)53)65-35-5-2/h5,14-16,22-23,27-32,36-37,43,46,51,53-54,61-62H,2,4,6-13,17-21,24-26,33-35,38-40H2,1,3H3,(H,58,64)/t43-,46+,51-,53+,54+,56+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)CC23O[C@@H]4[C@@H]([C@H]([C@@H]([C@H]([C@@H]4O3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O
InChI: InChI=1S/C37H44O6/c1-35(2)28-19-20-36(35,3)37(21-28)42-31-29(38)30(39-22-25-13-7-4-8-14-25)32(40-23-26-15-9-5-10-16-26)33(34(31)43-37)41-24-27-17-11-6-12-18-27/h4-18,28-34,38H,19-24H2,1-3H3/t28-,29-,30-,31-,32+,33-,34-,36-,37?/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(=O)O
InChI: InChI=1S/C25H16ClNO4/c26-18-10-9-12(11-17(18)25(30)31)27-23(28)21-19-13-5-1-2-6-14(13)20(22(21)24(27)29)16-8-4-3-7-15(16)19/h1-11,19-22H,(H,30,31)/t19?,20?,21-,22-/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OCC7=CC=CC=C7)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C45H41ClFN3O6/c46-28-13-11-27(12-14-28)45-37(42(53)50(44(45)55)48-30-17-15-29(47)16-18-30)24-36-33(21-22-35-39(36)43(54)49(41(35)52)31-9-5-2-6-10-31)40(45)34-20-19-32(23-38(34)51)56-25-26-7-3-1-4-8-26/h1,3-4,7-8,11-21,23,31,35-37,39-40,48,51H,2,5-6,9-10,22,24-25H2/t35-,36+,37-,39-,40+,45+/m0/s1
SMILES: CC1=C(C(=CC(=C1[C@@H]([C@]23[C@]4(CC[C@@H](C([C@@H]4CC[C@]2(O3)C)(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C)O)O
InChI: InChI=1S/C28H38O9/c1-14-22(19(34-15(2)29)13-18(32)23(14)33)24(36-17(4)31)28-26(7)11-10-21(35-16(3)30)25(5,6)20(26)9-12-27(28,8)37-28/h13,20-21,24,32-33H,9-12H2,1-8H3/t20-,21-,24-,26-,27+,28-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC(=C(C=C4)O)F)C(=O)N(C3=O)C5=CC=C(C=C5)Br)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)Br
InChI: InChI=1S/C32H23Br2FN2O5/c33-16-2-6-18(7-3-16)36-29(39)21-11-10-20-22(27(21)31(36)41)14-23-28(26(20)15-1-12-25(38)24(35)13-15)32(42)37(30(23)40)19-8-4-17(34)5-9-19/h1-10,12-13,21-23,26-28,38H,11,14H2/t21-,22+,23+,26-,27-,28+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)CC6=C([C@H]5C7=CC(=C(C(=C7)Cl)O)OC)C(=O)C=C(C6=O)Br
InChI: InChI=1S/C37H30BrClN4O6/c1-42(2)21-8-4-19(5-9-21)40-41-20-6-10-22(11-7-20)43-36(47)24-13-12-23-25(32(24)37(43)48)16-26-33(29(44)17-27(38)34(26)45)31(23)18-14-28(39)35(46)30(15-18)49-3/h4-12,14-15,17,24-25,31-32,46H,13,16H2,1-3H3/t24-,25+,31-,32-/m0/s1
SMILES: CC(=O)OC[C@@H]1C=C[C@H]([C@H](O1)C#C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H26O4Si/c1-8-14-15(20-21(6,7)16(3,4)5)10-9-13(19-14)11-18-12(2)17/h1,9-10,13-15H,11H2,2-7H3/t13-,14+,15+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC
InChI: InChI=1S/C16H25NO4S/c1-11-6-5-7-14(12(11)2)17-22(18,19)16-10-13(20-3)8-9-15(16)21-4/h8-12,14,17H,5-7H2,1-4H3/t11-,12-,14+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)[14C](=O)[14C@H](CCCCCl)[NH3+])C.[Cl-]
InChI: InChI=1S/C16H27ClN2O3S.ClH/c1-15(2)11-6-7-16(15)10-23(21,22)19(13(16)9-11)14(20)12(18)5-3-4-8-17;/h11-13H,3-10,18H2,1-2H3;1H/t11-,12+,13-,16-;/m1./s1/i12+2,14+2;
SMILES: C[C@H]1[C@H]([NH2+][C@@H]([C@@H](C1O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO/c1-13-17(15-9-5-3-6-10-15)20-18(14(2)19(13)21)16-11-7-4-8-12-16/h3-14,17-21H,1-2H3/p+1/t13-,14-,17-,18-/m0/s1
SMILES: CC[C@]1(CCC2(CO1)C3CCC4=C5[C@@]2(C[C@H](C5CC4)C(=O)OC[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)O[C@H]7[C@H]8[C@H](CC=C8CO)C(=CO7)C(=O)OC)O)O)O)CN(C3)C)O
InChI: InChI=1S/C39H55NO13/c1-4-39(47)12-11-37(19-51-39)22-8-5-20-6-10-24-25(13-38(37,29(20)24)18-40(2)14-22)34(46)49-17-27-30(42)31(43)32(44)36(52-27)53-35-28-21(15-41)7-9-23(28)26(16-50-35)33(45)48-3/h7,16,22-25,27-28,30-32,35-36,41-44,47H,4-6,8-15,17-19H2,1-3H3/t22?,23-,24?,25-,27-,28-,30-,31+,32-,35+,36+,37?,38-,39+/m1/s1
SMILES: CCC[C@H]1[C@H]2CC=C[C@H]2C3=C(N1)C=CC(=C3)C(=O)[O-]
InChI: InChI=1S/C16H19NO2/c1-2-4-14-12-6-3-5-11(12)13-9-10(16(18)19)7-8-15(13)17-14/h3,5,7-9,11-12,14,17H,2,4,6H2,1H3,(H,18,19)/p-1/t11-,12+,14+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCCC=C([C@H]1O[Si](C)(C)C(C)(C)C)C=C
InChI: InChI=1S/C21H42O2Si2/c1-12-17-15-13-14-16-18(22-24(8,9)20(2,3)4)19(17)23-25(10,11)21(5,6)7/h12,15,18-19H,1,13-14,16H2,2-11H3/t18-,19+/m0/s1
SMILES: C1=CC(=CC(=C1)O)N2C(=O)[C@@H]3[C@H](C2=O)C4C=CC3[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC(=CC=C6)O
InChI: InChI=1S/C24H18N2O6/c27-13-5-1-3-11(9-13)25-21(29)17-15-7-8-16(18(17)22(25)30)20-19(15)23(31)26(24(20)32)12-4-2-6-14(28)10-12/h1-10,15-20,27-28H/t15?,16?,17-,18+,19-,20+
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC(=CC=C5)C=C6CCC7[C@](O7)(CC[C@@H]8[C@@H]6CC8(C)C)C)C(=O)N(C)[C@H](CC9=CC=CC=C9)C(=O)NCCO)CCCCC
InChI: InChI=1S/C54H75N3O9/c1-7-9-14-24-53(25-15-10-8-2)64-44-42-33-54(50(61)56(6)41(48(59)55-27-28-58)31-35-17-12-11-13-18-35)46(49(60)62-42)57(66-47(54)45(44)65-53)34-37-20-16-19-36(29-37)30-38-21-22-43-52(5,63-43)26-23-40-39(38)32-51(40,3)4/h11-13,16-20,29-30,39-47,58H,7-10,14-15,21-28,31-34H2,1-6H3,(H,55,59)/t39-,40-,41-,42-,43?,44+,45+,46+,47-,52-,54+/m1/s1
SMILES: CCC(=O)OCC(=O)[C@]1([C@H](CC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC
InChI: InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19?,20?,21-,25-,26-,27-,28-/m0/s1
SMILES: C1[C@@H](OC(=O)N1C2=CC(=C(C(=C2)F)C3[C@H]4[C@@H]3CS(=O)C4)F)CNC(=O)CC#N
InChI: InChI=1S/C18H17F2N3O4S/c19-13-3-9(4-14(20)17(13)16-11-7-28(26)8-12(11)16)23-6-10(27-18(23)25)5-22-15(24)1-2-21/h3-4,10-12,16H,1,5-8H2,(H,22,24)/t10-,11-,12+,16?,28?/m0/s1
SMILES: C[C@H]1C=CC2=CC(C([C@@H]([C@@H]2[C@H]1CC[C@@H]3CC(CC(=O)O3)O)OC(=O)CC(C)(C)C)O)C
InChI: InChI=1S/C25H38O6/c1-14-6-7-16-10-15(2)23(29)24(31-21(28)13-25(3,4)5)22(16)19(14)9-8-18-11-17(26)12-20(27)30-18/h6-7,10,14-15,17-19,22-24,26,29H,8-9,11-13H2,1-5H3/t14-,15?,17?,18+,19-,22-,23?,24+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=O)N2CC[C@@H]3CCCC[C@H]3C2)S(=O)(=O)N4CCOCC4
InChI: InChI=1S/C21H30N2O4S/c1-16-6-7-18(14-20(16)28(25,26)23-10-12-27-13-11-23)21(24)22-9-8-17-4-2-3-5-19(17)15-22/h6-7,14,17,19H,2-5,8-13,15H2,1H3/t17-,19-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2CS[C@@H]([C@H]([C@H]1OC(=O)C)O2)OC(=O)C
InChI: InChI=1S/C12H16O7S/c1-5(13)16-9-8-4-20-12(18-7(3)15)11(19-8)10(9)17-6(2)14/h8-12H,4H2,1-3H3/t8-,9+,10-,11-,12-/m0/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)OCCCCCCCCCCCC)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC
InChI: InChI=1S/C65H110O14/c1-18-20-22-24-26-28-30-32-34-39-45-71-54-53(74-62(15,16)70-17)63(44-43-48(3)52(73-50(5)66)49(4)47-51-41-37-36-38-42-51)75-55(56(67)76-59(6,7)8)64(57(68)77-60(9,10)11,65(54,79-63)58(69)78-61(12,13)14)72-46-40-35-33-31-29-27-25-23-21-19-2/h36-38,41-42,49,52-55H,3,18-35,39-40,43-47H2,1-2,4-17H3/t49?,52?,53-,54-,55-,63-,64-,65-/m1/s1
SMILES: C1[C@@H]([C@H]1C(CCC2=CC(=CC=C2)O)(C(=O)O)N)C(=O)O
InChI: InChI=1S/C14H17NO5/c15-14(13(19)20,11-7-10(11)12(17)18)5-4-8-2-1-3-9(16)6-8/h1-3,6,10-11,16H,4-5,7,15H2,(H,17,18)(H,19,20)/t10-,11-,14?/m0/s1
SMILES: C[C@]1(C[C@@H]2[C@@H]3[C@H]1CC[C@@H]3CC2=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H30O2Si/c1-16(2,3)20(5,6)19-17(4)10-12-14(18)9-11-7-8-13(17)15(11)12/h11-13,15H,7-10H2,1-6H3/t11-,12+,13-,15-,17-/m1/s1
SMILES: C1=CC=C(C=C1)CS[C@@H]2[C@H]([C@H](OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O
InChI: InChI=1S/C22H20O6S/c23-14-9-17(26)19-18(10-14)28-21(13-6-7-15(24)16(25)8-13)20(27)22(19)29-11-12-4-2-1-3-5-12/h1-10,20-27H,11H2/t20-,21+,22-/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@@H]([C@@H]1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)N)O)N)O)O)O[C@@H]3[C@H](C[C@@H]([C@@H](O3)CN)O)N)N
InChI: InChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-31-19(25)30/h5-18,26-29H,1-4,20-24H2,(H2,25,30)/t5-,6-,7+,8+,9+,10-,11+,12-,13-,14+,15-,16-,17-,18+/m1/s1
SMILES: CC(CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI: InChI=1S/C12H24O7/c1-7(14)4-2-3-5-18-12-11(17)10(16)9(15)8(6-13)19-12/h7-17H,2-6H2,1H3/t7?,8-,9-,10+,11-,12-/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)N2CCC(CC2)C(=O)OC)C(=O)C3CC3
InChI: InChI=1S/C20H32N2O4/c1-3-14-13-22(19(24)15-4-5-15)11-8-17(14)12-18(23)21-9-6-16(7-10-21)20(25)26-2/h14-17H,3-13H2,1-2H3/t14-,17-/m0/s1
SMILES: COC1=CC(=CC(=C1)OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C19H23NO6/c1-24-12-9-13(25-2)11-14(10-12)26-17(21)7-8-20-18(22)15-5-3-4-6-16(15)19(20)23/h9-11,15-16H,3-8H2,1-2H3/t15-,16-/m0/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)NC5=CC=CC=C5F
InChI: InChI=1S/C30H27FN2O4/c1-17-27(30(36)33-22-11-7-6-10-21(22)31)28(19-12-13-24(34)26(16-19)37-2)29-23(32-17)14-20(15-25(29)35)18-8-4-3-5-9-18/h3-13,16,20,28-29,34H,14-15H2,1-2H3,(H,33,36)/t20-,28+,29-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CCC23)C
InChI: InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17?,18-,19-,20-/m0/s1
SMILES: CCCC[N+](C)(C)CO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C.[Cl-]
InChI: InChI=1S/C17H36NO.ClH/c1-7-8-11-18(5,6)13-19-17-12-15(4)9-10-16(17)14(2)3;/h14-17H,7-13H2,1-6H3;1H/q+1;/p-1/t15-,16+,17-;/m1./s1
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C39H28ClFN2O7/c40-23-9-5-11-25(18-23)43-35(46)29-19-28-26(13-14-27-32(28)36(47)42(34(27)45)24-10-4-6-21(16-24)37(48)49)33(20-12-15-31(44)30(41)17-20)39(29,38(43)50)22-7-2-1-3-8-22/h1-13,15-18,27-29,32-33,44H,14,19H2,(H,48,49)/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: COC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3
InChI: InChI=1S/C20H19ClFN3O4S2/c1-29-14-5-3-13(4-6-14)25(20-24-17-10-31(27,28)11-18(17)30-20)9-19(26)23-12-2-7-16(22)15(21)8-12/h2-8,17-18H,9-11H2,1H3,(H,23,26)/t17-,18+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C4=C(NC(=O)S4)S[C@@H]3C2=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C22H18N2O4S2/c1-11-3-7-13(8-4-11)24-20(25)16-15(12-5-9-14(28-2)10-6-12)17-19(23-22(27)30-17)29-18(16)21(24)26/h3-10,15-16,18H,1-2H3,(H,23,27)/t15-,16+,18+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C
InChI: InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@@H]([C@@H](O[C@H]2N3C=CC(=O)NC3=O)CO)O
InChI: InChI=1S/C16H18N2O8S/c1-9-2-4-10(5-3-9)27(23,24)26-14-13(21)11(8-19)25-15(14)18-7-6-12(20)17-16(18)22/h2-7,11,13-15,19,21H,8H2,1H3,(H,17,20,22)/t11-,13+,14-,15+/m0/s1
SMILES: CC(=O)NCC#CC1=CC=C(C=C1)N2C([C@H](C2=O)CC[C@@H](C3=CC=C(C=C3)F)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI: InChI=1S/C35H35FN2O10/c1-19(39)37-18-2-3-20-4-12-24(13-5-20)38-28(26(33(38)44)16-17-27(40)21-6-10-23(36)11-7-21)22-8-14-25(15-9-22)47-35-31(43)29(41)30(42)32(48-35)34(45)46/h4-15,26-32,35,40-43H,16-18H2,1H3,(H,37,39)(H,45,46)/t26-,27+,28?,29+,30+,31-,32+,35-/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(O2)C(C)(C)CNC(=O)NC)C(=O)O)O
InChI: InChI=1S/C14H21N3O6/c1-6(18)7-10(19)17-8(12(20)21)9(23-11(7)17)14(2,3)5-16-13(22)15-4/h6-7,11,18H,5H2,1-4H3,(H,20,21)(H2,15,16,22)/t6-,7+,11-/m1/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)N1CCNC1=O)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C17H23N3O6/c1-9(20-14(22)11-5-3-4-6-12(11)15(20)23)16(24)26-10(2)13(21)19-8-7-18-17(19)25/h9-12H,3-8H2,1-2H3,(H,18,25)/t9-,10-,11-,12+/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)C4=CC=CC(=C4)CNC(=O)C)CSC5=NN=CN5C
InChI: InChI=1S/C31H34N4O4S/c1-20-28(18-40-31-34-33-19-35(31)3)38-30(39-29(20)25-9-7-22(17-36)8-10-25)26-13-11-24(12-14-26)27-6-4-5-23(15-27)16-32-21(2)37/h4-15,19-20,28-30,36H,16-18H2,1-3H3,(H,32,37)/t20-,28+,29+,30+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]([C@@]2([C@@H]([C@@]13CO3)C[C@@]4(C[C@@H](C(=C(C4(C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)C)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C34H54O11Si/c1-12-46(13-2,14-3)45-27-15-26(42-21(6)36)32(11)25(34(27)18-40-34)17-33(39)16-24(41-20(5)35)19(4)28(31(33,9)10)29(43-22(7)37)30(32)44-23(8)38/h24-27,29-30,39H,12-18H2,1-11H3/t24-,25-,26-,27-,29+,30-,32-,33+,34-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI: InChI=1S/C16H20N2O6/c19-14(17-9-3-5-11-4-1-2-6-12(11)17)10-23-16(20)13-7-8-15(24-13)18(21)22/h7-8,11-12H,1-6,9-10H2/t11-,12+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](C(=O)OC2(C)C)C(=O)NC
InChI: InChI=1S/C14H23NO3/c1-8-5-6-10-9(7-8)11(12(16)15-4)13(17)18-14(10,2)3/h8-11H,5-7H2,1-4H3,(H,15,16)/t8-,9-,10-,11-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=CC5=NC6=NC7=CC=CC=C7N6C=C5C[C@]34C
InChI: InChI=1S/C29H31N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,15,17,20-22,33H,9-14,16H2,2-3H3/t20?,21?,22?,27-,28-,29-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OCC(F)(F)F)OC(O2)(C4CC4)C5CC5
InChI: InChI=1S/C35H42F3NO10/c1-33(2,3)48-29(42)15-13-25(18-40)39-31(43)22-16-26(30-27(17-22)47-35(49-30,23-9-10-23)24-11-12-24)46-32(44)21-7-4-20(5-8-21)6-14-28(41)45-19-34(36,37)38/h4-8,14,17,23-27,30,40H,9-13,15-16,18-19H2,1-3H3,(H,39,43)/t25-,26+,27+,30-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCCC(=O)NCC4=CN=CC=C4)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C30H38N2O3/c1-30-14-13-25-24-12-10-23(35-2)16-21(24)9-11-26(25)29(30)22(17-27(30)33)7-3-4-8-28(34)32-19-20-6-5-15-31-18-20/h5-6,10,12,15-16,18,22,25-26,29H,3-4,7-9,11,13-14,17,19H2,1-2H3,(H,32,34)/t22-,25-,26-,29+,30-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C[C@H](O1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H31O11P/c1-18(27)31-17-24-26(35-20(3)29)23(34-19(2)28)14-25(36-24)37-38(30,32-15-21-10-6-4-7-11-21)33-16-22-12-8-5-9-13-22/h4-13,23-26H,14-17H2,1-3H3/t23-,24-,25-,26+/m1/s1
SMILES: CC(C)C[C@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C17H31NO9/c1-8(2)6-9(18-16(24)27-17(3,4)5)14(22)25-7-10-11(19)12(20)13(21)15(23)26-10/h8-13,15,19-21,23H,6-7H2,1-5H3,(H,18,24)/t9-,10-,11-,12-,13-,15+/m1/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)OC(=O)C)OC)C)O
InChI: InChI=1S/C30H38O10/c1-15-18(32)13-30(36)25(39-26(35)17-10-8-7-9-11-17)23-28(5,24(34)22(33)21(15)27(30,3)4)19(37-6)12-20-29(23,14-38-20)40-16(2)31/h7-11,18-20,22-23,25,32-33,36H,12-14H2,1-6H3/t18-,19-,20+,22-,23-,25-,28+,29-,30+/m0/s1
SMILES: C1[C@@H]([C@H]2C[C@]2([C@H]1OCC3=CC=CC=C3)COCC4=CC=CC=C4)N5C=C(C(=O)NC5=O)I
InChI: InChI=1S/C25H25IN2O4/c26-20-13-28(24(30)27-23(20)29)21-11-22(32-15-18-9-5-2-6-10-18)25(12-19(21)25)16-31-14-17-7-3-1-4-8-17/h1-10,13,19,21-22H,11-12,14-16H2,(H,27,29,30)/t19-,21+,22+,25+/m1/s1
SMILES: C1CC[NH+]2CCC[C@@H]([C@H]2C1)CNC(=O)C3=CC=C(C=C3)N
InChI: InChI=1S/C17H25N3O/c18-15-8-6-13(7-9-15)17(21)19-12-14-4-3-11-20-10-2-1-5-16(14)20/h6-9,14,16H,1-5,10-12,18H2,(H,19,21)/p+1/t14-,16-/m1/s1