EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(CC[C@H]1C(=C)C[C@H]2[C@@H]3[C@@]1(CCC[C@@]3(C(=O)O2)C)C)CCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C26H42O8/c1-14(8-11-32-23-21(30)20(29)19(28)18(13-27)33-23)6-7-16-15(2)12-17-22-25(16,3)9-5-10-26(22,4)24(31)34-17/h14,16-23,27-30H,2,5-13H2,1,3-4H3/t14?,16-,17-,18+,19+,20-,21+,22+,23+,25+,26-/m0/s1
SMILES: CC(=C)[C@H]1C[C@H]2[C@]3(C[C@@H]1C(=O)[C@@]2(CC3=O)C)C
InChI: InChI=1S/C15H20O2/c1-8(2)9-5-11-14(3)6-10(9)13(17)15(11,4)7-12(14)16/h9-11H,1,5-7H2,2-4H3/t9-,10+,11+,14-,15-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)COCC3=CC=CC=C3)C
InChI: InChI=1S/C17H24O6/c1-17(2)22-15-12(10-20-9-11-6-4-3-5-7-11)14(13(19)8-18)21-16(15)23-17/h3-7,12-16,18-19H,8-10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: C[NH2+]CC1=CN(N=N1)C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NCC4=CC=C(C=C4)F
InChI: InChI=1S/C20H27FN6O/c1-22-10-17-11-27(25-24-17)12-18-8-15-6-7-26(18)13-19(15)20(28)23-9-14-2-4-16(21)5-3-14/h2-5,11,15,18-19,22H,6-10,12-13H2,1H3,(H,23,28)/p+2/t15-,18+,19-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](C(N1CCCCCCOCCOCCOC(F)(F)F)CO)O)O)O
InChI: InChI=1S/C17H32F3NO7/c18-17(19,20)28-10-9-27-8-7-26-6-4-2-1-3-5-21-11-14(23)16(25)15(24)13(21)12-22/h13-16,22-25H,1-12H2/t13?,14-,15+,16+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)OCCOC(=O)C(Cl)(Cl)Cl)C(=O)N3[C@@H]([C@H](SC3=O)[Se]C4=CC=CC=C4)OC)C
InChI: InChI=1S/C24H28Cl3NO6SSe/c1-22(2)14-9-10-23(22,16(13-14)33-11-12-34-20(30)24(25,26)27)19(29)28-17(32-3)18(35-21(28)31)36-15-7-5-4-6-8-15/h4-8,14,16-18H,9-13H2,1-3H3/t14-,16-,17-,18-,23+/m1/s1
SMILES: C[C@@]12CCC[C@@]([C@H]1CCC34[C@H]2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
InChI: InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17?,18?,19?,20-,21-,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,35+,36+,37?,38?/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)SC)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H21N5O7S/c1-7(23)26-5-10-12(27-8(2)24)13(28-9(3)25)16(29-10)22-6-19-11-14(18)20-17(30-4)21-15(11)22/h6,10,12-13,16H,5H2,1-4H3,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19-,20+,22+,23+,24-/m1/s1
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC(=O)O)C4=CC=CC=C4)C
InChI: InChI=1S/C26H26O5/c1-26(2)25(18-7-5-4-6-8-18)24(21-14-13-20(29-3)15-22(21)31-26)17-9-11-19(12-10-17)30-16-23(27)28/h4-15,24-25H,16H2,1-3H3,(H,27,28)/t24-,25+/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)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CN6CCC[C@H]6CN7CCCC7
InChI: InChI=1S/C41H48N4O4/c1-29-38(27-45-21-7-13-37(45)26-44-19-2-3-20-44)48-41(49-39(29)32-16-14-30(28-46)15-17-32)35-11-5-10-34(23-35)33-9-4-8-31(22-33)24-43-40(47)36-12-6-18-42-25-36/h4-6,8-12,14-18,22-23,25,29,37-39,41,46H,2-3,7,13,19-21,24,26-28H2,1H3,(H,43,47)/t29-,37-,38+,39+,41+/m0/s1
SMILES: C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C21H22O13/c22-7-3-9(23)8-5-11(25)18(32-12(8)4-7)6-1-10(24)14(26)13(2-6)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-4,11,15-19,21-29H,5H2,(H,30,31)/t11-,15-,16-,17+,18-,19-,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(COC(=O)C4)C
InChI: InChI=1S/C18H28O3/c1-17-8-7-14-12(13(17)5-6-15(17)19)4-3-11-9-16(20)21-10-18(11,14)2/h11-15,19H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17-,18-/m0/s1
SMILES: COC1=C(C(=C(C=C1)/C=C\C(=O)[C@H]2[C@@H](C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4)Br)OC
InChI: InChI=1S/C26H21BrN2O6/c1-34-21-13-9-16(24(27)25(21)35-2)8-12-20(30)23-22(15-6-4-3-5-7-15)18-14-17(29(32)33)10-11-19(18)28-26(23)31/h3-14,22-23H,1-2H3,(H,28,31)/b12-8-/t22-,23+/m1/s1
SMILES: CC[N+]1=C(SC2=C1C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C(F)(F)F
InChI: InChI=1S/C25H35F3NO2S/c1-5-29-20-13-19-17-7-6-15-12-16(31-14(2)30)8-10-23(15,3)18(17)9-11-24(19,4)21(20)32-22(29)25(26,27)28/h15-19H,5-13H2,1-4H3/q+1/t15-,16-,17+,18-,19-,23-,24-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H19ClN2O3S/c23-14-9-11-15(12-10-14)29-19-8-4-3-7-18(19)24-20(26)13-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-4,7-12,16-17H,5-6,13H2,(H,24,26)/t16-,17-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)C(C)(C)C)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C31H29BrClFN2O5/c1-30(2,3)36-26(38)17-8-7-16-18(24(17)28(36)40)13-20-27(39)35(15-6-9-22(34)21(33)12-15)29(41)31(20,4)25(16)19-11-14(32)5-10-23(19)37/h5-7,9-12,17-18,20,24-25,37H,8,13H2,1-4H3/t17-,18+,20-,24-,25+,31+/m0/s1
SMILES: C[C@@H]1CSC[C@@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C30H47N3O4S/c1-20-18-38-19-27(20)37-29(36)31-24(14-21-10-6-5-7-11-21)26(34)17-33-16-23-13-9-8-12-22(23)15-25(33)28(35)32-30(2,3)4/h5-7,10-11,20,22-27,34H,8-9,12-19H2,1-4H3,(H,31,36)(H,32,35)/t20-,22+,23-,24+,25+,26-,27+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)O)N5C(=CN=N5)OC6CCCCO6
InChI: InChI=1S/C33H46N4O8/c1-2-43-35-26-19-28(37-29(20-34-36-37)44-30-11-5-8-16-42-30)33(41)32-24(26)17-21(9-3-6-14-38)23(10-4-7-15-39)31(32)25-18-22(40)12-13-27(25)45-33/h12-13,17-18,20-21,23,28,30-32,38-41H,2-11,14-16,19H2,1H3/t21-,23+,28-,30?,31+,32+,33+/m0/s1
SMILES: COC1(CCC(CC1)(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OC
InChI: InChI=1S/C16H30O9/c1-22-16(23-2)5-3-15(21,4-6-16)7-8-24-14-13(20)12(19)11(18)10(9-17)25-14/h10-14,17-21H,3-9H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)COS(=O)(=O)N)C
InChI: InChI=1S/C13H18N6O6S/c1-13(2)24-8-6(3-22-26(15,20)21)23-12(9(8)25-13)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12H,3H2,1-2H3,(H2,14,16,17)(H2,15,20,21)/t6-,8-,9-,12-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)O)C)C)C(=O)OC
InChI: InChI=1S/C31H46O4/c1-18(2)19-11-14-31(26(34)35-8)16-15-29(6)20(24(19)31)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h17,19-20,22-24,32H,1,9-16H2,2-8H3/t19-,20+,22-,23+,24+,28-,29+,30+,31-/m0/s1
SMILES: CN(CC1=CC=CC=C1)C2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C18H21N5O4/c1-22(7-11-5-3-2-4-6-11)16-13-17(20-9-19-16)23(10-21-13)18-15(26)14(25)12(8-24)27-18/h2-6,9-10,12,14-15,18,24-26H,7-8H2,1H3/t12-,14-,15-,18-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N.C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C
InChI: InChI=1S/C10H20O.C9H11NO2/c1-7(2)9-5-4-8(3)6-10(9)11;1-2-12-9(11)7-3-5-8(10)6-4-7/h7-11H,4-6H2,1-3H3;3-6H,2,10H2,1H3/t8-,9+,10-;/m1./s1
SMILES: C1=CC=C2[C@@H]([C@H](C=CC2=C1)OC3=CC=C(C=C3)C(F)(F)F)O
InChI: InChI=1S/C17H13F3O2/c18-17(19,20)12-6-8-13(9-7-12)22-15-10-5-11-3-1-2-4-14(11)16(15)21/h1-10,15-16,21H/t15-,16-/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)CC[N+](C)(C)CC3=CC=CC=C3
InChI: InChI=1S/C22H34N2O/c1-21(2)18-11-13-22(21,3)19(15-18)23-20(25)12-14-24(4,5)16-17-9-7-6-8-10-17/h6-10,18-19H,11-16H2,1-5H3/p+1/t18-,19+,22+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OCC2=C(C=C(C=C2)Cl)Cl)CO)O)O
InChI: InChI=1S/C15H19Cl2NO6/c1-7(20)18-12-14(22)13(21)11(5-19)24-15(12)23-6-8-2-3-9(16)4-10(8)17/h2-4,11-15,19,21-22H,5-6H2,1H3,(H,18,20)/t11-,12+,13+,14+,15-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]([C@@H](C1=O)C(=O)OCC)C2=CN=CC=C2)C3=CN=CC=C3
InChI: InChI=1S/C21H23N3O5/c1-3-28-20(26)15-17(13-7-5-9-22-11-13)24-18(14-8-6-10-23-12-14)16(19(15)25)21(27)29-4-2/h5-12,15-18,24H,3-4H2,1-2H3/p+1/t15-,16+,17-,18-/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]1OC(=O)[C@@H]([C@H](C5=COC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H49NO15/c1-23-29(59-41(54)34(50)33(28-17-18-56-21-28)46-39(52)26-13-9-7-10-14-26)20-45(55)38(60-40(53)27-15-11-8-12-16-27)36-43(6,30(49)19-31-44(36,22-57-31)61-25(3)48)37(51)35(58-24(2)47)32(23)42(45,4)5/h7-18,21,29-31,33-36,38,49-50,55H,19-20,22H2,1-6H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
SMILES: C[C@@]12C[C@@H](OC13C[C@@H]([C@H]4[C@H]2C[C@H](C[C@H]4C(=O)OC)O)OC3=O)C5=COC=C5
InChI: InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3/t11-,12+,13+,14+,15-,16+,19-,20?/m0/s1
SMILES: C[C@@]12CCCC3=CC4=C(C=CC(=C4)[N+](=O)[O-])O[C@]31N(C5=CC=CC=C25)C
InChI: InChI=1S/C21H20N2O3/c1-20-11-5-6-15-12-14-13-16(23(24)25)9-10-19(14)26-21(15,20)22(2)18-8-4-3-7-17(18)20/h3-4,7-10,12-13H,5-6,11H2,1-2H3/t20-,21+/m0/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCC3=CC(=CC=C3)C(=O)NCCO)OC4(O2)CC5=CC=CC=C5C4)O
InChI: InChI=1S/C26H28N2O6/c29-9-8-27-24(31)17-7-3-4-16(10-17)15-28-25(32)20-11-21(30)23-22(12-20)33-26(34-23)13-18-5-1-2-6-19(18)14-26/h1-7,10,12,21-23,29-30H,8-9,11,13-15H2,(H,27,31)(H,28,32)/t21-,22-,23+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)[C@@H]2[C@@H](CNC2=O)C3=CC=CC=C3
InChI: InChI=1S/C21H23N3O5/c1-27-16-9-13(10-17(28-2)19(16)29-3)11-23-24-21(26)18-15(12-22-20(18)25)14-7-5-4-6-8-14/h4-11,15,18H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-11+/t15-,18+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C19H15N3O3S/c23-16(21-19-20-6-7-26-19)12-2-1-3-13(9-12)22-17(24)14-10-4-5-11(8-10)15(14)18(22)25/h1-7,9-11,14-15H,8H2,(H,20,21,23)/t10-,11+,14-,15-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3CC3)O)C
InChI: InChI=1S/C14H18N2O4/c1-14(2)13(17)12(15-8-3-4-8)10-7-9(16(18)19)5-6-11(10)20-14/h5-8,12-13,15,17H,3-4H2,1-2H3/t12-,13+/m1/s1
SMILES: CC(=O)CCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO
InChI: InChI=1S/C31H36N2O10/c1-17(36)4-3-5-26(37)33(14-18-6-7-23-24(11-18)42-16-41-23)22-13-21(31(39)32-8-9-34)27-20-10-19(15-35)12-25(40-2)29(20)43-30(27)28(22)38/h6-7,10-13,22,27-28,30,34-35,38H,3-5,8-9,14-16H2,1-2H3,(H,32,39)/t22-,27+,28+,30+/m1/s1
SMILES: C[C@H]1CC2=C(C[C@@H]1/C=N\N3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F)C(CCC2)(C)C
InChI: InChI=1S/C24H27FN4O/c1-14-9-15-5-4-8-24(2,3)19(15)10-16(14)12-27-29-13-26-21-18-11-17(25)6-7-20(18)28-22(21)23(29)30/h6-7,11-14,16,28H,4-5,8-10H2,1-3H3/b27-12-/t14-,16+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C36H21Cl2F5N2O5/c37-35-14-20-18(11-12-19-22(20)32(48)44(31(19)47)16-7-2-1-3-8-16)24(23-17-9-5-4-6-15(17)10-13-21(23)46)36(35,38)34(50)45(33(35)49)30-28(42)26(40)25(39)27(41)29(30)43/h1-11,13,19-20,22,24,46H,12,14H2/t19-,20+,22-,24+,35+,36-/m0/s1
SMILES: C[C@H]1[C@@]2([C@H](C3=C(C=CC=C3O)[C@H]([C@]2(C[C@@H](O1)CC(=O)O)O)O)O)O
InChI: InChI=1S/C16H20O8/c1-7-16(23)14(21)12-9(3-2-4-10(12)17)13(20)15(16,22)6-8(24-7)5-11(18)19/h2-4,7-8,13-14,17,20-23H,5-6H2,1H3,(H,18,19)/t7-,8-,13+,14-,15-,16-/m0/s1
SMILES: C1CC(CCC1N)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CN5N=CC=N5)O)O)NCC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C32H38N10O3/c33-22-11-13-23(14-12-22)38-32-39-29(34-17-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-30(40-32)41(19-35-26)31-28(44)27(43)25(45-31)18-42-36-15-16-37-42/h1-10,15-16,19,22-25,27-28,31,43-44H,11-14,17-18,33H2,(H2,34,38,39,40)/t22?,23?,25-,27-,28-,31-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2CC=C[C@@H]2C3=C(C=CC(=C3N1)Cl)C(=O)O
InChI: InChI=1S/C16H16ClNO4/c1-2-22-16(21)13-9-5-3-4-8(9)12-10(15(19)20)6-7-11(17)14(12)18-13/h3-4,6-9,13,18H,2,5H2,1H3,(H,19,20)/t8-,9-,13+/m0/s1
SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N(C)C(=O)N2C[C@H]3C[C@]3([C@@H]2C4=CC=CC=C4)O
InChI: InChI=1S/C23H22F6N2O2/c1-13(15-8-16(22(24,25)26)10-17(9-15)23(27,28)29)30(2)20(32)31-12-18-11-21(18,33)19(31)14-6-4-3-5-7-14/h3-10,13,18-19,33H,11-12H2,1-2H3/t13?,18-,19+,21+/m1/s1
SMILES: CC(C)(C)C(=O)OC1C[C@@H]([C@H](CC(C#C[C@@H]([C@H](C#C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)OC)OC
InChI: InChI=1S/C33H40O7/c1-33(2,3)32(35)40-27-17-19-29(39-23-25-14-10-7-11-15-25)28(38-22-24-12-8-6-9-13-24)18-16-26(34)20-30(36-4)31(21-27)37-5/h6-15,26-31,34H,20-23H2,1-5H3/t26?,27?,28-,29-,30-,31-/m0/s1
SMILES: CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H25N3O5/c1-22(11-17(24)21-13-7-9-14(28-2)10-8-13)18(25)12-23-19(26)15-5-3-4-6-16(15)20(23)27/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,21,24)/t15-,16+
SMILES: C1[C@H]([C@H]([C@@H]([C@@H]([C@@H]1O[C@H]2[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)O)O)N)N)N)O)CO)N)O)O)CN
InChI: InChI=1S/C24H48N6O12/c25-3-6-1-9(12(29)17(35)14(6)32)38-21-11(5-31)40-24(19(21)37)42-22-15(33)7(27)2-8(28)20(22)41-23-13(30)18(36)16(34)10(4-26)39-23/h6-24,31-37H,1-5,25-30H2/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22+,23+,24-/m0/s1
SMILES: C=CCOC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)C8CC8)OCC=C
InChI: InChI=1S/C49H57N3O11/c1-3-23-58-37-18-20-42-40(27-37)46-38(10-6-8-22-54)35(9-5-7-21-53)26-39-41(50-62-30-32-11-16-36(17-12-32)52(56)57)28-45(49(63-42,47(39)46)61-24-4-2)51(48(55)34-14-15-34)29-33-13-19-43-44(25-33)60-31-59-43/h3-4,11-13,16-20,25-27,34-35,38,45-47,53-54H,1-2,5-10,14-15,21-24,28-31H2/t35-,38+,45-,46+,47+,49+/m0/s1
SMILES: CCONC[C@@]1([C@@H]2N(C1=O)[C@H](C(S2(=O)=O)(C)C)C(=O)OCOC(=O)C(C)(C)C)Br
InChI: InChI=1S/C17H27BrN2O8S/c1-7-28-19-8-17(18)12(22)20-10(16(5,6)29(24,25)13(17)20)11(21)26-9-27-14(23)15(2,3)4/h10,13,19H,7-9H2,1-6H3/t10-,13+,17+/m0/s1
SMILES: CC1=C([C@@H]2[C@H](O1)[C@H](O[C@H]2N3C=CC(=O)NC3=O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)OC
InChI: InChI=1S/C34H32N2O8/c1-21-28(32(38)41-3)29-30(43-21)26(44-31(29)36-19-18-27(37)35-33(36)39)20-42-34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-14-16-25(40-2)17-15-24/h4-19,26,29-31H,20H2,1-3H3,(H,35,37,39)/t26-,29-,30-,31-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](N=C(O2)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OCC=C)C)C)(C)O
InChI: InChI=1S/C40H70N2O12/c1-15-17-48-39(10)19-21(3)35-41-25(7)34(53-35)40(11,46)28(16-2)51-36(45)24(6)31(52-29-20-38(9,47-14)32(44)26(8)50-29)23(5)33(39)54-37-30(43)27(42(12)13)18-22(4)49-37/h15,21-34,37,43-44,46H,1,16-20H2,2-14H3/t21-,22-,23+,24-,25-,26+,27+,28-,29?,30-,31+,32+,33-,34-,37+,38-,39+,40-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC(=C(C=C3)OC)Cl
InChI: InChI=1S/C19H22ClN3O5/c1-11-5-3-4-6-14(11)23-18(26)17(25)22(19(23)27)10-16(24)21-12-7-8-15(28-2)13(20)9-12/h7-9,11,14H,3-6,10H2,1-2H3,(H,21,24)/t11-,14-/m0/s1
SMILES: CC(=O)N[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O)C(=O)O
InChI: InChI=1S/C10H17NO8/c1-3(12)11-4(9(16)17)8-6(14)5(13)7(15)10(18-2)19-8/h4-8,10,13-15H,1-2H3,(H,11,12)(H,16,17)/t4-,5+,6+,7-,8-,10+/m1/s1
SMILES: CC(C)OCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C(=O)C
InChI: InChI=1S/C25H36N2O8/c1-14(2)34-9-5-7-27(15(3)30)19-12-18(25(32)26-6-8-28)21-17-10-16(13-29)11-20(33-4)23(17)35-24(21)22(19)31/h10-12,14,19,21-22,24,28-29,31H,5-9,13H2,1-4H3,(H,26,32)/t19-,21+,22+,24+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C19H26F3N3O3/c1-13-5-3-4-6-16(13)24-18(27)12-25(2)11-17(26)23-14-7-9-15(10-8-14)28-19(20,21)22/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,23,26)(H,24,27)/p+1/t13-,16-/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]([C@@H]1C[C@H]([C@H](O1)[C@H](CC[C@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)OC(=O)C)C(=O)C)C(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C45H74O11/c1-8-9-10-11-12-13-14-15-16-17-18-22-25-41(54-35(6)49)42-30-43(55-36(7)50)44(56-42)40(33(4)47)27-26-37(32(3)46)23-20-19-21-24-39(53-34(5)48)29-38-28-31(2)52-45(38)51/h28,31,37,39-44H,8-27,29-30H2,1-7H3/t31-,37-,39+,40+,41-,42-,43+,44+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl)C(C)C
InChI: InChI=1S/C21H27ClO4/c1-14(2)18-9-7-15(3)11-19(18)26-21(24)13-25-20(23)10-8-16-5-4-6-17(22)12-16/h4-6,8,10,12,14-15,18-19H,7,9,11,13H2,1-3H3/b10-8+/t15-,18+,19+/m1/s1
SMILES: CC(C)NC(=O)N(CC1=CC=C(C=C1)OC(F)(F)F)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC8=CC=CC=C8S7)C)O
InChI: InChI=1S/C43H49F3N2O5S/c1-26(2)47-37(51)48(24-27-9-11-30(12-10-27)53-43(44,45)46)25-41(52)18-15-35-39(41,4)17-14-34-38(3)16-13-29(49)22-40(38)19-20-42(34,35)31(23-40)36(50)33-21-28-7-5-6-8-32(28)54-33/h5-12,19-21,23,26,29,34-35,49,52H,13-18,22,24-25H2,1-4H3,(H,47,51)/t29?,34-,35-,38-,39+,40+,41-,42-/m1/s1
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CN[C@H]3C=C[C@@H]([C@H]([C@@H]3O)O)O
InChI: InChI=1S/C19H21NO4/c21-17-11-10-16(18(22)19(17)23)20-12-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11,16-23H,12H2/t16-,17-,18+,19+/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)C[C@H]4CN(CC[C@@H]4C(=O)NO)C(C)C
InChI: InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-25(27(31)29-32)21(15-30)17-36(33,34)23-10-8-22(9-11-23)35-16-20-14-19(3)28-26-7-5-4-6-24(20)26/h4-11,14,18,21,25,32H,12-13,15-17H2,1-3H3,(H,29,31)/t21-,25+/m1/s1
SMILES: CN1[C@@H]2CCCC[C@H]2N(P1O[C@@H](CCCl)C3=CC=CC=C3)C
InChI: InChI=1S/C17H26ClN2OP/c1-19-15-10-6-7-11-16(15)20(2)22(19)21-17(12-13-18)14-8-4-3-5-9-14/h3-5,8-9,15-17H,6-7,10-13H2,1-2H3/t15-,16-,17+/m1/s1
SMILES: COC1=CC=CC(=C1)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=CC=C7F
InChI: InChI=1S/C34H24FNO4/c1-40-22-11-8-10-21(19-22)29-30(31(37)25-14-5-6-15-26(25)35)36-27-16-7-2-9-20(27)17-18-28(36)34(29)32(38)23-12-3-4-13-24(23)33(34)39/h2-19,28-30H,1H3/t28-,29+,30-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)[C@]5(C1=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NC[C@@H](C1=CC=CC=C1)O
InChI: InChI=1S/C56H50N6O10/c1-69-32-33-71-55(68)61-43-28-27-36(16-15-29-60-44-25-13-12-24-42(44)58-59-60)34-41(43)56(54(61)67)47(52(65)57-35-45(64)37-17-5-2-6-18-37)49-53(66)72-50(39-21-9-4-10-22-39)48(38-19-7-3-8-20-38)62(49)51(56)40-23-11-14-26-46(40)70-31-30-63/h2-14,17-28,34,45,47-51,63-64H,29-33,35H2,1H3,(H,57,65)/t45-,47-,48-,49-,50+,51+,56-/m0/s1
SMILES: C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)C1=C2CC[C@@H]3[C@]4(CC[C@H](C([C@@H]4C[C@H]([C@]3([C@@]2(CC1)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)(C)C)OC(=O)C)C
InChI: InChI=1S/C40H66O12/c1-20(17-25(43)34(47)37(6,7)48)23-13-16-39(9)24(23)11-12-27-38(8)15-14-29(50-22(3)42)36(4,5)28(38)18-30(40(27,39)10)52-35-33(46)32(45)31(44)26(51-35)19-49-21(2)41/h20,25-35,43-48H,11-19H2,1-10H3/t20-,25+,26?,27+,28-,29+,30+,31?,32?,33?,34-,35?,38+,39+,40-/m0/s1
SMILES: CS(=O)(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]3[C@H]2O3)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)CO)CO)O)O)O
InChI: InChI=1S/C25H44O22S/c1-48(38,39)40-6-11-13(33)14(34)16(36)23(43-11)47-20-10(5-29)42-25(22-21(20)44-22)46-19-9(4-28)41-24(17(37)15(19)35)45-18(8(31)3-27)12(32)7(30)2-26/h7-37H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C2[C@H]([C@@H]3[C@H](C1)C(=O)N(C3=O)C4=CC=CC=C4)[C@H]5[C@H]6[C@@H]([C@@H]2O5)C(=O)N(C6=O)C7=CC=CC=C7
InChI: InChI=1S/C32H34N2O6Si/c1-32(2,3)41(4,5)40-20-16-19-21(29(36)33(28(19)35)17-12-8-6-9-13-17)23-22(20)26-24-25(27(23)39-26)31(38)34(30(24)37)18-14-10-7-11-15-18/h6-15,19,21,23-27H,16H2,1-5H3/t19-,21-,23-,24-,25+,26+,27-/m0/s1
SMILES: CCOC(=O)N1[C@H]2[C@H](CCO2)[C@H](C(=N1)C)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H25N2O4P/c1-3-27-22(25)24-21-19(14-15-28-21)20(16(2)23-24)29(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,3,14-15H2,1-2H3/t19-,20+,21-/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC=CC=C4Cl)C#N
InChI: InChI=1S/C16H13ClN4O2/c1-9-6-22-16(23-9)15(8-19)12(10-4-2-3-5-11(10)17)14(15,7-18)13(20)21-16/h2-5,9,12H,6H2,1H3,(H2,20,21)/t9-,12+,14+,15+,16+/m0/s1
SMILES: C[C@@]12[C@H](CCC(=C)[C@H]1[C@@H]([C@@H]3C(=O)CC[C@@H](C3(C)C)[C@H](C2=O)O)OC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H46O6Si/c1-19-15-18-23(38-39(8,9)30(2,3)4)32(7)24(19)27(37-29(36)20-13-11-10-12-14-20)25-22(33)17-16-21(31(25,5)6)26(34)28(32)35/h10-14,21,23-27,34H,1,15-18H2,2-9H3/t21-,23+,24+,25+,26-,27+,32-/m1/s1
SMILES: COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)N3CCC[C@H]4[C@@H]3CCCC4)OC
InChI: InChI=1S/C24H37N3O3/c1-29-22-10-9-19(16-23(22)30-2)17-25-12-14-26(15-13-25)18-24(28)27-11-5-7-20-6-3-4-8-21(20)27/h9-10,16,20-21H,3-8,11-15,17-18H2,1-2H3/t20-,21-/m0/s1
SMILES: CC[Si]1(O[C@@H]2[C@@H](CO[Si](O1)(C(C)C)C(C)C)O[C@H]([C@@H]2O)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C22H38O5Si2/c1-8-28(15(2)3)26-22-19(14-24-29(27-28,16(4)5)17(6)7)25-21(20(22)23)18-12-10-9-11-13-18/h9-13,15-17,19-23H,8,14H2,1-7H3/t19-,20+,21+,22-,28?/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CC2=CC3=C(CCC3)C=C2
InChI: InChI=1S/C20H27NO3/c1-14-5-2-3-8-18(14)21-19(22)13-24-20(23)12-15-9-10-16-6-4-7-17(16)11-15/h9-11,14,18H,2-8,12-13H2,1H3,(H,21,22)/t14-,18-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H]([C@H](CC3=CC=CC=C3)/C=C/NC(=O)[C@@H](CS(=O)C4=CC5=CC=CC=C5C=C4)NS(=O)(=O)C)O
InChI: InChI=1S/C40H54N4O6S2/c1-40(2,3)42-39(47)36-24-31-16-10-11-17-33(31)25-44(36)26-37(45)32(22-28-12-6-5-7-13-28)20-21-41-38(46)35(43-52(4,49)50)27-51(48)34-19-18-29-14-8-9-15-30(29)23-34/h5-9,12-15,18-21,23,31-33,35-37,43,45H,10-11,16-17,22,24-27H2,1-4H3,(H,41,46)(H,42,47)/b21-20+/t31-,32-,33+,35+,36-,37-,51?/m0/s1
SMILES: C=CCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/p-1/b13-8+/t7-,9-,10+,11-,12+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](C=C1)[C@H](CC(=C)[Si]2(C)C)O
InChI: InChI=1S/C13H22OSi/c1-9-5-6-11-12(14)8-10(2)15(3,4)13(11)7-9/h5-6,9,11-14H,2,7-8H2,1,3-4H3/t9-,11-,12-,13+/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)OC)O)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C37H35Cl2N3O7/c1-4-16-41-33(44)23-14-13-22-25(30(23)35(41)46)18-26-34(45)42(40-28-15-10-20(38)17-27(28)39)36(47)37(26,19-8-11-21(48-2)12-9-19)31(22)24-6-5-7-29(49-3)32(24)43/h5-13,15,17,23,25-26,30-31,40,43H,4,14,16,18H2,1-3H3/t23-,25+,26-,30-,31+,37+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C17H17NO5/c1-22-16(20)8-2-4-10(5-3-8)18-15(19)13-9-6-11-12(7-9)23-17(21)14(11)13/h2-5,9,11-14H,6-7H2,1H3,(H,18,19)/t9-,11+,12-,13-,14+/m1/s1
SMILES: C[C@H]1CC([C@]2(C#CC=CC#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O)(OC)OC
InChI: InChI=1S/C30H23NO7/c1-16-15-28(36-2,37-3)27(35)13-9-5-4-6-12-21-29(16)30(27,38-29)19-14-20(32)22-23(24(19)31-21)26(34)18-11-8-7-10-17(18)25(22)33/h4-5,7-8,10-11,14,16,21,31-32,35H,15H2,1-3H3/t16-,21-,27-,29-,30-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI: InChI=1S/C19H25NO5/c1-13-5-3-4-6-15(13)20-18(22)12-25-19(23)10-8-14-7-9-16(21)17(11-14)24-2/h7-11,13,15,21H,3-6,12H2,1-2H3,(H,20,22)/b10-8+/t13-,15+/m1/s1
SMILES: C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N)O)O)CO.[Cu+2]
InChI: InChI=1S/C17H25N5O13.2C9H7NO.Cu/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33);2*1-6,11H;/q;;;+2/p-2/t5-,6-,7-,8+,9-,10+,11+,14+;;;/m0.../s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O
InChI: InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5-,6+,7+,8-,11+/m0/s1
SMILES: B1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OB(O3)C4=CC=C(C=C4)C)CO)C5=CC=C(C=C5)C
InChI: InChI=1S/C20H22B2O6/c1-13-3-7-15(8-4-13)21-25-17-11-24-20(12-23)19(18(17)26-21)27-22(28-20)16-9-5-14(2)6-10-16/h3-10,17-19,23H,11-12H2,1-2H3/t17-,18-,19+,20+/m1/s1