EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC(=CC=C1[C@H]2[C@@H](C3=C4[C@H]([C@@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@H]7[C@@H](C8=C(C=C(C=C8O)O)C9[C@@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O
InChI: InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52-,53-,54?,55+,56+/m1/s1
SMILES: C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C3[C@@H]([C@@H]3CO)CO)F
InChI: InChI=1S/C19H20FNO4/c20-17-8-13(6-7-14(17)18-15(9-22)16(18)10-23)21-19(24)25-11-12-4-2-1-3-5-12/h1-8,15-16,18,22-23H,9-11H2,(H,21,24)/t15-,16+,18?
SMILES: CC(=O)C1=CC(=CC=C1)N2[C@@H]([C@@]34C=C[C@@](O3)([C@@H]([C@H]4C2=O)C(=O)NC5CCCCC5)C)C(=O)NC(C)(C)C
InChI: InChI=1S/C29H37N3O5/c1-17(33)18-10-9-13-20(16-18)32-23(25(35)31-27(2,3)4)29-15-14-28(5,37-29)21(22(29)26(32)36)24(34)30-19-11-7-6-8-12-19/h9-10,13-16,19,21-23H,6-8,11-12H2,1-5H3,(H,30,34)(H,31,35)/t21-,22-,23+,28+,29-/m0/s1
SMILES: C1=C(O[C@H]([C@@H]([C@H]1N)O)[C@@H]([C@@H](CO)O)O)C(=O)O
InChI: InChI=1S/C9H15NO7/c10-3-1-5(9(15)16)17-8(6(3)13)7(14)4(12)2-11/h1,3-4,6-8,11-14H,2,10H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C20H25NO3/c1-23-16-8-9-17-15(11-20(22)24-19(17)12-16)13-21-10-4-6-14-5-2-3-7-18(14)21/h8-9,11-12,14,18H,2-7,10,13H2,1H3/t14-,18+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]3C=CCN3CC4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C25H29NO4/c1-25(2)29-23-22(27-17-19-12-7-4-8-13-19)21(28-24(23)30-25)20-14-9-15-26(20)16-18-10-5-3-6-11-18/h3-14,20-24H,15-17H2,1-2H3/t20-,21+,22-,23+,24+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H24N2O5S/c1-23(2)19(22(28)30-13-15-9-5-3-6-10-15)25-20(27)18(21(25)31-23)24-17(26)14-29-16-11-7-4-8-12-16/h3-12,18-19,21H,13-14H2,1-2H3,(H,24,26)/t18-,19+,21-/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2CC(=O)NC4=CC=C(C=C4)C(=O)O)CC(=C5[C@@]3(CCC(=O)N5C)C)Cl
InChI: InChI=1S/C28H35ClN2O4/c1-27-12-10-21-19(15-22(29)25-28(21,2)13-11-24(33)31(25)3)20(27)9-6-17(27)14-23(32)30-18-7-4-16(5-8-18)26(34)35/h4-5,7-8,17,19-21H,6,9-15H2,1-3H3,(H,30,32)(H,34,35)/t17-,19?,20+,21?,27-,28-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CSC(=N2)C3=CC=CC=C3
InChI: InChI=1S/C20H24N2O3S/c1-13-8-6-7-11-16(13)21-18(23)14(2)25-20(24)17-12-26-19(22-17)15-9-4-3-5-10-15/h3-5,9-10,12-14,16H,6-8,11H2,1-2H3,(H,21,23)/t13-,14-,16-/m1/s1
SMILES: C/C(=N\NC(=O)N)/[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C24H37N3O3/c1-14(26-27-22(25)29)19-7-8-20-18-6-5-16-13-17(30-15(2)28)9-11-23(16,3)21(18)10-12-24(19,20)4/h5,17-21H,6-13H2,1-4H3,(H3,25,27,29)/b26-14+/t17-,18+,19+,20-,21+,23-,24+/m0/s1
SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCCC13CO3)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC4=CC(=O)OC4
InChI: InChI=1S/C25H36O6/c1-5-16(2)22(28)30-15-25-19(7-6-9-24(25)14-31-24)23(4,17(3)11-20(25)26)10-8-18-12-21(27)29-13-18/h5,12,17,19-20,26H,6-11,13-15H2,1-4H3/b16-5+/t17-,19-,20+,23+,24?,25+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C38H44N6O6/c1-26-33(24-43-18-20-44(21-19-43)37-39-16-7-17-40-37)49-36(50-34(26)29-14-12-28(25-45)13-15-29)30-10-6-11-31(23-30)41-38(47)42-32(35(46)48-2)22-27-8-4-3-5-9-27/h3-17,23,26,32-34,36,45H,18-22,24-25H2,1-2H3,(H2,41,42,47)/t26-,32-,33+,34+,36+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC(=O)C[C@@H]2CC3=C(C=CO3)C(=O)OC)(C)C
InChI: InChI=1S/C20H28O4/c1-19(2)7-5-8-20(3)13(10-14(21)12-17(19)20)11-16-15(6-9-24-16)18(22)23-4/h6,9,13,17H,5,7-8,10-12H2,1-4H3/t13-,17+,20-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C\2/CCCN2)C(C)C
InChI: InChI=1S/C16H27NO2/c1-11(2)14-7-6-12(3)9-15(14)19-16(18)10-13-5-4-8-17-13/h10-12,14-15,17H,4-9H2,1-3H3/b13-10-/t12-,14+,15-/m1/s1
SMILES: CCCCO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)NC(=O)C
InChI: InChI=1S/C12H23NO6/c1-3-4-5-18-12-9(13-7(2)15)11(17)10(16)8(6-14)19-12/h8-12,14,16-17H,3-6H2,1-2H3,(H,13,15)/t8-,9-,10+,11-,12-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CC5=CC=CC=N5)C
InChI: InChI=1S/C21H28N2O4/c1-13-7-8-17-14(2)18(24)23(12-15-6-4-5-11-22-15)19-21(17)16(13)9-10-20(3,25-19)26-27-21/h4-6,11,13-14,16-17,19H,7-10,12H2,1-3H3/t13-,14-,16+,17+,19-,20+,21-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@@H](C2=CN=NN21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H35N3O4/c1-5-13-27(14-6-1)23-39-32-22-38-31(21-36-37-38)33(40-24-28-15-7-2-8-16-28)35(42-26-30-19-11-4-12-20-30)34(32)41-25-29-17-9-3-10-18-29/h1-21,32-35H,22-26H2/t32-,33-,34-,35-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[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=C7
InChI: InChI=1S/C36H29NO6/c1-41-27-19-23(20-28(42-2)33(27)43-3)30-31(32(38)22-12-5-4-6-13-22)37-26-16-10-7-11-21(26)17-18-29(37)36(30)34(39)24-14-8-9-15-25(24)35(36)40/h4-20,29-31H,1-3H3/t29-,30-,31+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]2COCC3=CC=CC=C3)CO
InChI: InChI=1S/C18H21NO4S/c1-14-7-9-16(10-8-14)24(21,22)19-17(11-20)18(19)13-23-12-15-5-3-2-4-6-15/h2-10,17-18,20H,11-13H2,1H3/t17-,18+,19?/m1/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N(C=O)[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C43H64N2O10Si/c1-40(2,3)37(48)53-32-26-51-36(34(55-39(50)42(7,8)9)33(32)54-38(49)41(4,5)6)45(27-46)31(24-28-20-16-15-17-21-28)35(47)44-30-23-19-18-22-29(30)25-52-56(13,14)43(10,11)12/h15-23,27,31-34,36H,24-26H2,1-14H3,(H,44,47)/t31-,32+,33+,34-,36-/m0/s1
SMILES: CSC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H42O5S2/c1-47-35-22-24-36(25-23-35)48-41-40(45-29-34-20-12-5-13-21-34)39(44-28-33-18-10-4-11-19-33)38(43-27-32-16-8-3-9-17-32)37(46-41)30-42-26-31-14-6-2-7-15-31/h2-25,37-41H,26-30H2,1H3/t37-,38-,39+,40-,41+/m1/s1
SMILES: C(CN=[N+]=[N-])CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C15H27N3O11/c16-18-17-2-1-3-26-14-12(25)10(23)13(7(5-20)28-14)29-15-11(24)9(22)8(21)6(4-19)27-15/h6-15,19-25H,1-5H2/t6-,7-,8+,9+,10-,11-,12-,13-,14-,15+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(O2)COC3=CC=CC=C3Cl
InChI: InChI=1S/C18H22ClN3O3S/c1-12-6-2-4-8-14(12)20-16(23)11-26-18-22-21-17(25-18)10-24-15-9-5-3-7-13(15)19/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,20,23)/t12-,14+/m1/s1
SMILES: C[C@H]1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@H](C1)C)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)CO
InChI: InChI=1S/C30H39NO4/c1-19-9-8-12-25-17-24(18-32)21(3)28-26(16-23-10-6-5-7-11-23)31-29(34)30(25,28)27(35-22(4)33)14-13-20(2)15-19/h5-8,10-14,17,19-21,25-28,32H,9,15-16,18H2,1-4H3,(H,31,34)/b12-8+,14-13+/t19-,20+,21+,25-,26-,27+,28-,30+/m0/s1
SMILES: CCOC(=O)C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC
InChI: InChI=1S/C15H14ClN3O5/c1-3-24-15(22)12-10-11(17-18-12)14(21)19(13(10)20)8-6-7(16)4-5-9(8)23-2/h4-6,10-11,17H,3H2,1-2H3/t10-,11-/m0/s1
SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C
InChI: InChI=1S/C18H26N2O5S/c1-3-19-26(23,24)15-10-8-14(9-11-15)18(22)25-12-17(21)20-16-7-5-4-6-13(16)2/h8-11,13,16,19H,3-7,12H2,1-2H3,(H,20,21)/t13-,16-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)C(C)(C)C5=CN=CC=C5
InChI: InChI=1S/C38H51N5O4/c1-37(2,3)41-36(47)32-25-43(38(4,5)29-15-11-17-39-23-29)19-18-42(32)24-30(44)21-28(20-26-12-7-6-8-13-26)35(46)40-34-31-16-10-9-14-27(31)22-33(34)45/h6-17,23,28,30,32-34,44-45H,18-22,24-25H2,1-5H3,(H,40,46)(H,41,47)/t28-,30+,32+,33-,34+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC(=O)CCC(=O)COC3=CC=CC(=C3)C(C4=CC=C(C=C4)OC)(C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C36H38N2O11/c1-22-19-38(35(43)37-34(22)42)32-18-30(31(20-39)48-32)49-33(41)16-11-26(40)21-47-29-6-4-5-25(17-29)36(44,23-7-12-27(45-2)13-8-23)24-9-14-28(46-3)15-10-24/h4-10,12-15,17,19,30-32,39,44H,11,16,18,20-21H2,1-3H3,(H,37,42,43)/t30-,31+,32+/m0/s1
SMILES: CN1C(=O)N2[C@@H]3C=C[C@H](N2C1=O)[C@@]45[C@@]3(CC4)[C@H]6CC[C@@H]5N=N6
InChI: InChI=1S/C15H17N5O2/c1-18-12(21)19-10-4-5-11(20(19)13(18)22)15-7-6-14(10,15)8-2-3-9(15)17-16-8/h4-5,8-11H,2-3,6-7H2,1H3/t8-,9+,10-,11+,14+,15-
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(Cl)(Cl)Cl)CSCCO
InChI: InChI=1S/C30H32Cl3NO5S/c1-19-26(18-40-14-13-35)38-28(39-27(19)23-7-5-20(17-36)6-8-23)24-11-9-22(10-12-24)25-4-2-3-21(15-25)16-34-29(37)30(31,32)33/h2-12,15,19,26-28,35-36H,13-14,16-18H2,1H3,(H,34,37)/t19-,26+,27+,28+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)C7=CC=C(C=C7)N=NC8=CC=C(C=C8)N(C)C)Cl
InChI: InChI=1S/C38H33Cl2N5O6/c1-43(2)24-8-4-22(5-9-24)41-42-23-6-10-25(11-7-23)45-33(47)28-14-13-27-29(31(28)34(45)48)18-37(39)35(49)44(3)36(50)38(37,40)32(27)21-16-20-17-26(46)12-15-30(20)51-19-21/h4-13,15,17,19,28-29,31-32,46H,14,16,18H2,1-3H3/t28-,29+,31-,32-,37+,38-/m0/s1
SMILES: CC[C@@H]1C2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)O)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C42H59N3O11/c1-11-31-42(8)34(44-39(50)56-42)25(4)32(46)23(2)21-40(6,52-18-14-15-27-20-28-16-12-13-17-29(28)43-22-27)36(26(5)35(48)41(7,51)38(49)54-31)55-37-33(47)30(45(9)10)19-24(3)53-37/h12-17,20,22-26,30-31,33-34,36-37,47,51H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,30+,31-,33-,34?,36-,37?,40+,41?,42?/m1/s1
SMILES: CCS[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C22H26O5S/c1-2-28-22-18(23)20(24-13-15-9-5-3-6-10-15)19-17(26-22)14-25-21(27-19)16-11-7-4-8-12-16/h3-12,17-23H,2,13-14H2,1H3/t17-,18+,19-,20-,21-,22-/m1/s1
SMILES: C1[C@@H]2CSC3=C([C@@H]2C4=CC=CC=C4O1)SC(=O)N3C5=CC=CC=C5
InChI: InChI=1S/C19H15NO2S2/c21-19-20(13-6-2-1-3-7-13)18-17(24-19)16-12(11-23-18)10-22-15-9-5-4-8-14(15)16/h1-9,12,16H,10-11H2/t12-,16+/m1/s1
SMILES: C[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI: InChI=1S/C25H30O4/c1-17(26)22(27)29-21-16-20-14-15-24(21,23(20,2)3)25(28,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-21,26,28H,14-16H2,1-3H3/t17-,20+,21+,24+/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=C(C=C(C=C4)Cl)Cl)C(=O)CCC=C)C(=O)NCCO)C=O
InChI: InChI=1S/C29H30Cl2N2O7/c1-3-4-5-24(36)33(14-17-6-7-18(30)12-21(17)31)22-13-20(29(38)32-8-9-34)25-19-10-16(15-35)11-23(39-2)27(19)40-28(25)26(22)37/h3,6-7,10-13,15,22,25-26,28,34,37H,1,4-5,8-9,14H2,2H3,(H,32,38)/t22-,25+,26+,28+/m1/s1
SMILES: CCOC1=CC2=CC[C@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@@H]3CC[C@@]45CCC(=O)O5)C
InChI: InChI=1S/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3/t18-,19-,20+,22-,23-,24+/m0/s1
SMILES: C[C@H]1[C@H]2C[C@@H](C1(C)C)C[C@@]2(C#CC3=CC=CC=C3)O
InChI: InChI=1S/C18H22O/c1-13-16-11-15(17(13,2)3)12-18(16,19)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,19H,11-12H2,1-3H3/t13-,15+,16+,18+/m0/s1
SMILES: C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O
InChI: InChI=1S/C25H35N5O7/c1-13-17(37-24-22(32)21(31)20(29(3)4)14(2)36-24)9-10-19(35-13)30-12-11-18(28-25(30)34)27-23(33)15-5-7-16(26)8-6-15/h5-8,11-14,17,19-22,24,31-32H,9-10,26H2,1-4H3,(H,27,28,33,34)/t13-,14-,17+,19-,20-,21+,22-,24-/m1/s1
SMILES: CC(C)CNC(=O)NC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-10(2)7-18-17(25)19-13(21)9-26-14(22)8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-4,10-12H,5-9H2,1-2H3,(H2,18,19,21,25)/t11-,12+
SMILES: C1=CC=C(C(=C1)CN[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O)O
InChI: InChI=1S/C13H19NO6/c15-6-9-11(17)12(18)10(13(19)20-9)14-5-7-3-1-2-4-8(7)16/h1-4,9-19H,5-6H2/t9-,10-,11-,12-,13-/m1/s1
SMILES: CC(C)[Si]1(OC[C@H]2[C@@H]([C@@H]([C@H](O2)C3=CC=CC=C3)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C24H42O5Si2/c1-16(2)30(17(3)4)26-15-21-23(28-31(29-30,18(5)6)19(7)8)24(25-9)22(27-21)20-13-11-10-12-14-20/h10-14,16-19,21-24H,15H2,1-9H3/t21-,22+,23-,24+/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](ON([C@H]2C(=O)O1)CC3=CC=CC=C3)CC(=O)OC(C)(C)C
InChI: InChI=1S/C19H25NO5/c1-12-16-14(10-15(21)24-19(2,3)4)25-20(17(16)18(22)23-12)11-13-8-6-5-7-9-13/h5-9,12,14,16-17H,10-11H2,1-4H3/t12-,14+,16-,17+/m0/s1
SMILES: CC[C@H](CC1=C(C=CS1)Cl)NC2=C(C(=NC=C2)N[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)C(=O)NCC)[N+](=O)[O-]
InChI: InChI=1S/C24H32ClN5O5S/c1-5-13(11-18-15(25)8-10-36-18)28-16-7-9-27-22(19(16)30(32)33)29-17-12-14(23(31)26-6-2)20-21(17)35-24(3,4)34-20/h7-10,13-14,17,20-21H,5-6,11-12H2,1-4H3,(H,26,31)(H2,27,28,29)/t13-,14+,17-,20-,21+/m1/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1OC(=O)C)COC(=O)C)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H39NO18/c1-11(30)29-21-24(41-15(5)34)22(19(9-38-12(2)31)45-27(21)44-18(8)37)47-28-26(43-17(7)36)25(42-16(6)35)23(40-14(4)33)20(46-28)10-39-13(3)32/h19-28H,9-10H2,1-8H3,(H,29,30)/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@@H](C(=O)N(C)C3CCCCC3)O)C(=O)O)C
InChI: InChI=1S/C17H26N2O5S/c1-17(2)12(16(23)24)19-13(21)10(15(19)25-17)11(20)14(22)18(3)9-7-5-4-6-8-9/h9-12,15,20H,4-8H2,1-3H3,(H,23,24)/t10-,11+,12+,15-/m1/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2NC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]
InChI: InChI=1S/C25H28N2O4S/c1-24(2)16-11-12-25(24,3)21(14-16)26-23(29)18-8-6-5-7-17(18)22(28)15-9-10-20(32-4)19(13-15)27(30)31/h5-10,13,16,21H,11-12,14H2,1-4H3,(H,26,29)/t16-,21-,25+/m0/s1
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=O)C(=O)NC4=CC=C(S4)Cl)C(=O)COC
InChI: InChI=1S/C22H27ClN6O5S2/c1-28-7-5-13-15(10-28)35-22(26-13)21(33)25-14-9-29(18(30)11-34-2)8-6-12(14)24-19(31)20(32)27-17-4-3-16(23)36-17/h3-4,12,14H,5-11H2,1-2H3,(H,24,31)(H,25,33)(H,27,32)/t12-,14+/m0/s1
SMILES: CC(=CC[C@@H](/C(=C/C=C/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H](C3(C)CO)OC(=O)C)C)C)/C)/C)OC(=O)C)C
InChI: InChI=1S/C34H50O6/c1-21(2)13-14-27(39-24(5)36)22(3)11-10-12-23(4)31-26(38)19-29-32(7)18-16-30(40-25(6)37)34(9,20-35)28(32)15-17-33(29,31)8/h10-13,27-30,35H,14-20H2,1-9H3/b12-10+,22-11+,31-23+/t27-,28+,29-,30+,32-,33-,34?/m0/s1
SMILES: CCCCC(=O)OCC(=O)[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O
InChI: InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19?,20-,21-,24-,25-,26-,27+/m0/s1
SMILES: CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/Br)OC(=O)[C@H]5CCCN5C(=O)OC(C)(C)C
InChI: InChI=1S/C29H35BrN3O11P/c1-17-7-5-8-19-15-39-45(38,44-24(17)19)40-16-22-21(13-23(41-22)33-14-18(10-11-30)25(34)31-27(33)36)42-26(35)20-9-6-12-32(20)28(37)43-29(2,3)4/h5,7-8,10-11,14,20-23H,6,9,12-13,15-16H2,1-4H3,(H,31,34,36)/b11-10+/t20-,21+,22-,23-,45?/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](N2S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO2S/c1-16-8-12-19(13-9-16)22-21(18-6-4-3-5-7-18)23(22)26(24,25)20-14-10-17(2)11-15-20/h3-15,21-22H,1-2H3/t21-,22-,23?/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C17H18N2O5/c20-14(18-13-8-4-3-7-12(13)17(23)24)9-19-15(21)10-5-1-2-6-11(10)16(19)22/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,18,20)(H,23,24)/t10-,11-/m1/s1
SMILES: CCC[C@H]1[C@H]([C@H]([C@H]([NH2+][C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)C)O
InChI: InChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/p+1/t15-,18+,19-,20+,21-/m0/s1
SMILES: C1CCC2=NN([C@@]([C@@H]2C1)(C(F)(F)F)O)C(=O)C3=CN=CC=C3
InChI: InChI=1S/C14H14F3N3O2/c15-14(16,17)13(22)10-5-1-2-6-11(10)19-20(13)12(21)9-4-3-7-18-8-9/h3-4,7-8,10,22H,1-2,5-6H2/t10-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N
InChI: InChI=1S/C18H19F3N2O/c1-12-6-2-5-9-16(12)23-17(24)14(11-22)10-13-7-3-4-8-15(13)18(19,20)21/h3-4,7-8,10,12,16H,2,5-6,9H2,1H3,(H,23,24)/b14-10+/t12-,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5C(=O)C6=CC=CC=C6)C)C
InChI: InChI=1S/C41H54O3/c1-27(2)12-11-13-28(3)35-20-21-36-34-19-18-30-26-31(22-24-40(30,4)37(34)23-25-41(35,36)5)44-39(43)33-17-10-9-16-32(33)38(42)29-14-7-6-8-15-29/h6-10,14-18,27-28,31,34-37H,11-13,19-26H2,1-5H3/t28-,31+,34+,35-,36+,37+,40+,41-/m1/s1
SMILES: C[C@H]1[C@@H](O[C@@H]([C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C)OC)CC=C
InChI: InChI=1S/C17H34O3Si/c1-10-11-14-12(2)15(13(3)16(18-7)19-14)20-21(8,9)17(4,5)6/h10,12-16H,1,11H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1
SMILES: CC(C)(CCOC(=O)NN)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C31H42N4O11S/c1-31(2,11-13-42-30(38)34-32)18-35(47(39,40)21-8-9-25-26(15-21)45-19-44-25)16-24(36)23(14-20-6-4-3-5-7-20)33-29(37)46-27-17-43-28-22(27)10-12-41-28/h3-9,15,22-24,27-28,36H,10-14,16-19,32H2,1-2H3,(H,33,37)(H,34,38)/t22-,23-,24+,27-,28+/m0/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCNC(=O)N)NC5=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)OC
InChI: InChI=1S/C50H47N5O9/c1-61-39-27-34-21-23-54(29-35(34)28-40(39)62-2)46(57)41-43-47(58)64-44(32-13-7-4-8-14-32)42(31-11-5-3-6-12-31)55(43)45(33-16-18-36(19-17-33)63-25-24-56)50(41)37-26-30(10-9-22-52-49(51)60)15-20-38(37)53-48(50)59/h3-8,11-20,26-28,41-45,56H,21-25,29H2,1-2H3,(H,53,59)(H3,51,52,60)/t41-,42-,43-,44+,45+,50-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C55H75FN2O7S/c1-4-6-7-8-9-10-11-12-16-25-52(61)58(40-41-26-28-43(56)29-27-41)51-39-49(57-62-3)47-37-42(21-17-19-32-59)46(24-18-20-33-60)53-48-38-44(63-35-36-66-45-22-14-13-15-23-45)30-31-50(48)65-55(51,54(47)53)64-34-5-2/h5,13-15,22-23,26-31,37-38,42,46,51,53-54,59-60H,2,4,6-12,16-21,24-25,32-36,39-40H2,1,3H3/t42-,46+,51-,53+,54+,55+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C22H25NO3S/c1-3-26-22(25)19-15-10-9-13(2)11-18(15)27-21(19)23-20(24)17-12-16(17)14-7-5-4-6-8-14/h4-8,13,16-17H,3,9-12H2,1-2H3,(H,23,24)/t13-,16-,17+/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCOCCO)C(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C57H84N4O12/c1-6-8-9-10-11-12-13-14-15-18-31-58-55(66)71-45-28-29-50-48(40-45)53-46(22-17-20-34-63)43(21-16-19-33-62)39-47-49(59-73-56(3,4)5)41-51(57(72-50,54(47)53)70-36-7-2)60(32-37-69-38-35-64)52(65)30-25-42-23-26-44(27-24-42)61(67)68/h7,23-30,39-40,43,46,51,53-54,62-64H,2,6,8-22,31-38,41H2,1,3-5H3,(H,58,66)/t43-,46+,51-,53+,54+,57+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=CC4=O)C)O
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h5-6,12-16,20H,3-4,7-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN(C(=O)OC(C)(C)C)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)O
InChI: InChI=1S/C25H34N4O10S/c1-15-13-28(23(33)26-21(15)31)20-12-18(30)19(38-20)14-29(24(34)39-25(2,3)4)40(35,36)27-17(22(32)37-5)11-16-9-7-6-8-10-16/h6-10,13,17-20,27,30H,11-12,14H2,1-5H3,(H,26,31,33)/t17-,18-,19+,20+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)O[C@@H]2[C@@H](C[C@H]3[C@@H]([C@H]2OCC4=CC=CC=C4)OC(O3)(C)C)O
InChI: InChI=1S/C24H30O5/c1-16(18-12-8-5-9-13-18)27-21-19(25)14-20-22(29-24(2,3)28-20)23(21)26-15-17-10-6-4-7-11-17/h4-13,16,19-23,25H,14-15H2,1-3H3/t16-,19-,20+,21-,22+,23+/m1/s1
SMILES: C[C@H]([C@@H]([C@H](C=C)O[C@@H]1[C@@H]2[C@H]([C@H]3[C@H](O1)COC(O3)(C)C)OC(O2)(C)C)O)OCC4=CC=CC=C4
InChI: InChI=1S/C25H36O8/c1-7-17(19(26)15(2)27-13-16-11-9-8-10-12-16)29-23-22-21(32-25(5,6)33-22)20-18(30-23)14-28-24(3,4)31-20/h7-12,15,17-23,26H,1,13-14H2,2-6H3/t15-,17+,18-,19+,20-,21+,22+,23+/m1/s1
SMILES: C[C@]12CCC[C@@H]1[C@@H]3CC[C@]4(C[C@@H](CC[C@@]4([C@H]3CC2)C)O)C
InChI: InChI=1S/C20H34O/c1-18-9-4-5-16(18)15-7-11-19(2)13-14(21)6-12-20(19,3)17(15)8-10-18/h14-17,21H,4-13H2,1-3H3/t14-,15+,16-,17+,18-,19+,20-/m1/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC(=C(C=C2)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C30H40N2O7/c1-5-7-13-31(14-8-6-2)27(33)18-32-17-22(20-9-12-24-26(15-20)39-19-38-24)28(30(34)35)29(32)21-10-11-23(36-3)25(16-21)37-4/h9-12,15-16,22,28-29H,5-8,13-14,17-19H2,1-4H3,(H,34,35)/t22-,28-,29+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@@H]3[C@@H](O2)N4C=NC(=O)C(=C4O3)C)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C26H24N2O7/c1-14-4-8-17(9-5-14)25(30)32-12-19-20(35-26(31)18-10-6-15(2)7-11-18)21-24(33-19)28-13-27-22(29)16(3)23(28)34-21/h4-11,13,19-21,24H,12H2,1-3H3/t19-,20-,21+,24+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@@](=O)C[C@@H]2[C@H](OC(O2)(C)C)[C@@H](COCC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C22H27N3O4S/c1-16-9-11-18(12-10-16)30(26)15-20-21(29-22(2,3)28-20)19(24-25-23)14-27-13-17-7-5-4-6-8-17/h4-12,19-21H,13-15H2,1-3H3/t19-,20-,21-,30+/m1/s1
SMILES: CC1=C(CC[C@@]2([C@H]1C3(CC2)OCCO3)C)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C14H19F3O5S/c1-9-10(22-23(18,19)14(15,16)17)3-4-12(2)5-6-13(11(9)12)20-7-8-21-13/h11H,3-8H2,1-2H3/t11-,12-/m0/s1
SMILES: CC(C)(C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C31H38N2O2/c1-31(2,34)26-14-15-27(35-3)25(20-26)21-32-29-24-16-18-33(19-17-24)30(29)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,28-30,32,34H,16-19,21H2,1-3H3/t29-,30-/m0/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)CNC(C)(C)C)(C)C(=O)OC
InChI: InChI=1S/C26H41NO3/c1-18-9-12-22-25(5,14-8-15-26(22,6)23(28)29-7)20(18)11-10-19-13-16-30-21(19)17-27-24(2,3)4/h13,16,20,22,27H,1,8-12,14-15,17H2,2-7H3/t20-,22+,25+,26-/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(=CC=C5)F)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C30H22FNO8/c1-12-9-22(34)25-19(26(12)35)11-18-14(23(25)16-3-2-4-20(31)27(16)36)7-8-17-24(18)29(38)32(28(17)37)13-5-6-15(30(39)40)21(33)10-13/h2-7,9-10,17-18,23-24,33,36H,8,11H2,1H3,(H,39,40)/t17-,18+,23+,24-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2C=C[C@@H]([C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)CO
InChI: InChI=1S/C21H42O3Si2/c1-20(2,3)25(7,8)23-17-13-15-11-12-16(14-22)18(15)19(17)24-26(9,10)21(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/t15-,16-,17-,18+,19-/m1/s1
SMILES: C1=NC2=C3C(=[N+](C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O)N=C[N+]2=C1
InChI: InChI=1S/C17H21N5O14P2/c23-10-7(3-32-37(28,29)36-38(30,31)33-4-8-11(24)13(26)17(27)35-8)34-16(12(10)25)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-27H,3-4H2/p+2/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
SMILES: CCC1C(CC(CCC(=O)C(CC(C(C(C(=O)CC(=O)O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC(OC)OC)C)C)CO[C@H]3[C@H]([C@@H]([C@@H]([C@H](O3)C)OC(=O)C)OC)OC
InChI: InChI=1S/C43H75NO16/c1-14-32-29(21-55-43-41(54-13)40(53-12)39(26(6)57-43)58-27(7)45)17-22(2)15-16-30(46)23(3)18-28(19-34(51-10)52-11)38(24(4)31(47)20-33(48)59-32)60-42-37(50)35(44(8)9)36(49)25(5)56-42/h22-26,28-29,32,34-43,49-50H,14-21H2,1-13H3/t22?,23?,24?,25-,26-,28?,29?,32?,35+,36-,37-,38?,39-,40-,41+,42+,43-/m1/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]
InChI: InChI=1S/C12H18N2O12P2.3Na/c1-2-5-23-10-9(16)7(6-24-28(21,22)26-27(18,19)20)25-11(10)14-4-3-8(15)13-12(14)17;;;/h2-4,7,9-11,16H,1,5-6H2,(H,21,22)(H,13,15,17)(H2,18,19,20);;;/q;3*+1/p-3/t7-,9-,10+,11-;;;/m1.../s1
SMILES: CCS[C@@H]1C(=O)N2CCC3=CC(=C(C=C3[C@@H]2[C@]1(CCCCOCC4=CC=CC=C4)C(=O)OC)OC)OC
InChI: InChI=1S/C29H37NO6S/c1-5-37-26-27(31)30-15-13-21-17-23(33-2)24(34-3)18-22(21)25(30)29(26,28(32)35-4)14-9-10-16-36-19-20-11-7-6-8-12-20/h6-8,11-12,17-18,25-26H,5,9-10,13-16,19H2,1-4H3/t25-,26-,29+/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@H](C1)Cl)[C@@](C(=O)N2)(CC(C3=CC=CC=C3)Cl)Cl
InChI: InChI=1S/C16H18Cl3NO/c17-11-7-4-8-13-14(11)16(19,15(21)20-13)9-12(18)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2,(H,20,21)/t11-,12?,13-,14+,16+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H21ClN2O5/c20-12-5-7-13(8-6-12)21-16(23)11-27-17(24)9-10-22-18(25)14-3-1-2-4-15(14)19(22)26/h5-8,14-15H,1-4,9-11H2,(H,21,23)/t14-,15+