EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OCCCCI)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C32H43IO9Si/c1-22(34)39-28-27(42-31(37-20-14-13-19-33)30(41-24(3)36)29(28)40-23(2)35)21-38-43(32(4,5)6,25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,27-31H,13-14,19-21H2,1-6H3/t27-,28-,29+,30-,31-/m1/s1
SMILES: C1CN(CCC1CCOC2=CC=C(C=C2)F)C[C@@H]3CN(C[C@H]3C4=CSC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C29H35FN2OS/c30-27-6-8-28(9-7-27)33-16-12-23-10-14-31(15-11-23)19-26-20-32(18-24-4-2-1-3-5-24)21-29(26)25-13-17-34-22-25/h1-9,13,17,22-23,26,29H,10-12,14-16,18-21H2/t26-,29+/m1/s1
SMILES: C/C/1=C\CC/C(=C/C[C@@]2(C=CC(=O)C(=[N+]=[N-])[C@H]2CC1)C)/C
InChI: InChI=1S/C18H24N2O/c1-13-5-4-6-14(2)9-11-18(3)12-10-16(21)17(20-19)15(18)8-7-13/h5,9-10,12,15H,4,6-8,11H2,1-3H3/b13-5+,14-9+/t15-,18-/m1/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H43N3O4Si2/c1-15-13-25(20(26)24-19(15)23)18-12-16(29-31(10,11)22(5,6)7)17(28-18)14-27-30(8,9)21(2,3)4/h13,16-18H,12,14H2,1-11H3,(H2,23,24,26)/t16-,17+,18+/m0/s1
SMILES: CCCCCCNC(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C23H34N2O2/c1-2-3-4-7-16-24-22(26)19-12-14-20(15-13-19)23(27)25-17-8-10-18-9-5-6-11-21(18)25/h12-15,18,21H,2-11,16-17H2,1H3,(H,24,26)/t18-,21+/m1/s1
SMILES: C1=C(O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChI: InChI=1S/C12H19NO16S2.3Na/c14-3-1-4(10(17)18)28-12(7(3)15)29-9-5(2-26-31(23,24)25)27-11(19)6(8(9)16)13-30(20,21)22;;;/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25);;;/q;3*+1/p-3/t3-,5+,6+,7+,8+,9+,11?,12-;;;/m0.../s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8)C(=O)OC
InChI: InChI=1S/C50H51N3O10/c1-60-46(56)37(47(57)61-2)23-14-16-32-24-25-39-38(30-32)50(49(59)51-39)40(45(55)52-26-12-4-3-5-13-27-52)42-48(58)63-43(34-19-10-7-11-20-34)41(33-17-8-6-9-18-33)53(42)44(50)35-21-15-22-36(31-35)62-29-28-54/h6-11,15,17-22,24-25,30-31,37,40-44,54H,3-5,12-13,23,26-29H2,1-2H3,(H,51,59)/t40-,41-,42-,43+,44+,50-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC=C(C=C4)F)O
InChI: InChI=1S/C25H31FN2O2/c1-17-6-7-18(2)22(15-17)27-23(29)16-28-14-13-25(30)12-4-3-5-21(25)24(28)19-8-10-20(26)11-9-19/h6-11,15,21,24,30H,3-5,12-14,16H2,1-2H3,(H,27,29)/p+1/t21-,24+,25+/m1/s1
SMILES: C1CCC(C1)NC2=C3C(=NC(=N2)N4C=C(C=N4)C(=O)N)N(C=N3)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C19H24N8O5/c20-15(31)9-5-22-27(6-9)19-24-16(23-10-3-1-2-4-10)12-17(25-19)26(8-21-12)18-14(30)13(29)11(7-28)32-18/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H2,20,31)(H,23,24,25)/t11-,13-,14-,18-/m1/s1
SMILES: CC1([C@@H]([C@@]2(CC[C@@](C2)([C@@H]1OCC3=CC=CC=C3)OC)CCC(=O)OC)C(=O)OC)C
InChI: InChI=1S/C24H34O6/c1-22(2)19(20(26)28-4)23(12-11-18(25)27-3)13-14-24(16-23,29-5)21(22)30-15-17-9-7-6-8-10-17/h6-10,19,21H,11-16H2,1-5H3/t19-,21+,23+,24+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/SC5=CC=C(C=C5)Cl)/C(=O)C4)C
InChI: InChI=1S/C27H35ClO2S/c1-25-15-17(16-31-20-7-5-19(28)6-8-20)24(29)14-18(25)4-9-21-22(25)10-12-26(2)23(21)11-13-27(26,3)30/h5-8,16,18,21-23,30H,4,9-15H2,1-3H3/b17-16-/t18-,21+,22-,23-,25-,26-,27-/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C20H26N2O5/c1-2-3-10-27-15-8-6-12(7-9-15)18(23)21-22-19(24)16-13-4-5-14(11-13)17(16)20(25)26/h6-9,13-14,16-17H,2-5,10-11H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t13-,14+,16+,17+/m1/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)CBr)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CC7=CC=CS7
InChI: InChI=1S/C30H23BrCl2N2O5S/c31-14-35-27(39)29(32)12-20-18(8-9-19-22(20)26(38)34(25(19)37)13-16-5-3-11-41-16)24(30(29,33)28(35)40)23-17-6-2-1-4-15(17)7-10-21(23)36/h1-8,10-11,19-20,22,24,36H,9,12-14H2/t19-,20+,22-,24+,29+,30-/m0/s1
SMILES: C[C@@H]1CN(CC[C@H]1NC2=CC=CC=C2)C[C@H](C3=CC=CC=C3)O
InChI: InChI=1S/C20H26N2O/c1-16-14-22(15-20(23)17-8-4-2-5-9-17)13-12-19(16)21-18-10-6-3-7-11-18/h2-11,16,19-21,23H,12-15H2,1H3/t16-,19-,20-/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)N=N1
InChI: InChI=1S/C19H25N5O4/c1-3-24-16-9-8-13(10-15(16)22-23-24)18(26)28-11-17(25)21-19(27)20-14-7-5-4-6-12(14)2/h8-10,12,14H,3-7,11H2,1-2H3,(H2,20,21,25,27)/t12-,14-/m0/s1
SMILES: CC1[C@H]2C[C@H]2CN1CC#CCC(C3=CC=CCC3(C4CCCC4)O)C(=O)O
InChI: InChI=1S/C23H31NO3/c1-16-20-14-17(20)15-24(16)13-7-5-10-19(22(25)26)21-11-4-6-12-23(21,27)18-8-2-3-9-18/h4,6,11,16-20,27H,2-3,8-10,12-15H2,1H3,(H,25,26)/t16?,17-,19?,20+,23?/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@]23[C@@H]4C[C@H]5C[C@@H](C4)[C@H]([C@@H]2C5)C3(C6=CC=CC=C6)O)C(C)C
InChI: InChI=1S/C28H38O3/c1-16(2)22-10-9-17(3)11-24(22)31-26(29)27-21-13-18-12-19(15-21)25(23(27)14-18)28(27,30)20-7-5-4-6-8-20/h4-8,16-19,21-25,30H,9-15H2,1-3H3/t17-,18-,19+,21-,22+,23+,24-,25-,27-,28?/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@H](C1)CC3=C(C2=O)C(=C4C(=CC(=C(C4=C3OC)OC)[Si](C)(C)C)OC)OC)O
InChI: InChI=1S/C26H36O6Si/c1-26(28)10-9-15-14(13-26)11-16-19(22(15)27)25(32-5)20-17(29-2)12-18(33(6,7)8)24(31-4)21(20)23(16)30-3/h12,14-15,28H,9-11,13H2,1-8H3/t14-,15-,26+/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C23H24N2O2/c1-27-18-5-3-2-4-17(18)19-20(23(19,12-24)13-25)21(26)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16,19-20H,6-11H2,1H3/t14?,15?,16?,19-,20-,22?/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)N)C(=O)O)C
InChI: InChI=1S/C8H12N2O5S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)16(8,14)15/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
SMILES: C1CCC(CC1)CCCCN2C[C@@H]([C@H]([C@H]3C2COC(O3)C4=CC=CC=C4)O)O
InChI: InChI=1S/C23H35NO4/c25-20-15-24(14-8-7-11-17-9-3-1-4-10-17)19-16-27-23(28-22(19)21(20)26)18-12-5-2-6-13-18/h2,5-6,12-13,17,19-23,25-26H,1,3-4,7-11,14-16H2/t19?,20-,21+,22+,23?/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=CC4=C(C=C3Br)OCCO4
InChI: InChI=1S/C18H21BrN2O4/c1-11-4-2-3-5-18(11)16(22)21(17(23)20-18)10-12-8-14-15(9-13(12)19)25-7-6-24-14/h8-9,11H,2-7,10H2,1H3,(H,20,23)/t11-,18-/m0/s1
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=CC(=CC2=C1O[C@@H]([C@H](O2)C3=CC(=C(C=C3)O)OC)CO)C4=CC(=O)C5=C(C=C(C=C5O4)O)O
InChI: InChI=1S/C26H22O10.C20H18NO4/c1-32-19-5-12(3-4-15(19)29)25-23(11-27)36-26-21(33-2)6-13(7-22(26)35-25)18-10-17(31)24-16(30)8-14(28)9-20(24)34-18;1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-10,23,25,27-30H,11H2,1-2H3;3-4,7-10H,5-6,11H2,1-2H3/q;+1/t23-,25-;/m1./s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4
InChI: InChI=1S/C17H15ClN2/c18-12-4-5-16-15(10-12)13-2-1-3-14(13)17(20-16)11-6-8-19-9-7-11/h1-2,4-10,13-14,17,20H,3H2/t13-,14+,17-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=CC(=C7)C(=O)O
InChI: InChI=1S/C33H18Cl3F5N2O7/c34-12-4-7-18(44)16(9-12)20-14-5-6-15-19(28(46)42(27(15)45)13-3-1-2-11(8-13)29(47)48)17(14)10-32(35)30(49)43(31(50)33(20,32)36)26-24(40)22(38)21(37)23(39)25(26)41/h1-5,7-9,15,17,19-20,44H,6,10H2,(H,47,48)/t15-,17+,19-,20+,32+,33-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43
InChI: InChI=1S/C20H23N3O3/c1-12-6-5-8-15(13(12)2)22-17(24)10-23-11-21-18-14-7-3-4-9-16(14)26-19(18)20(23)25/h3-4,7,9,11-13,15H,5-6,8,10H2,1-2H3,(H,22,24)/t12-,13+,15+/m0/s1
SMILES: CCOC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@H]2C=CC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C21H19Cl2NO2/c1-2-26-21(25)12-6-9-19-17(10-12)14-4-3-5-15(14)20(24-19)16-8-7-13(22)11-18(16)23/h3-4,6-11,14-15,20,24H,2,5H2,1H3/t14-,15-,20+/m1/s1
SMILES: COC1CC(=O)[C@@H]([C@H]1/C=C/C(CSC2=CC=CC=C2F)OC)CCCCCCP(=O)(C)O
InChI: InChI=1S/C24H36FO5PS/c1-29-18(17-32-24-12-8-7-11-21(24)25)13-14-20-19(22(26)16-23(20)30-2)10-6-4-5-9-15-31(3,27)28/h7-8,11-14,18-20,23H,4-6,9-10,15-17H2,1-3H3,(H,27,28)/b14-13+/t18?,19-,20-,23?/m1/s1
SMILES: C[C@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@@H]2C3=CC=C(C=C3)N(C)C)COC(=O)NC(C)C)C)C
InChI: InChI=1S/C24H36N2O3/c1-15(2)25-23(27)29-14-24-13-28-22(19-8-10-20(11-9-19)26(6)7)21(18(24)5)16(3)12-17(24)4/h8-12,15,17-18,21-22H,13-14H2,1-7H3,(H,25,27)/t17-,18+,21+,22+,24+/m0/s1
SMILES: CC1=CC(=CC=C1)[C@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)S(=O)(=O)NC5=C(C=CC(=C5)Cl)Cl
InChI: InChI=1S/C25H22Cl2N2O2S/c1-15-4-2-5-16(12-15)25-20-7-3-6-19(20)21-14-18(9-11-23(21)28-25)32(30,31)29-24-13-17(26)8-10-22(24)27/h2-6,8-14,19-20,25,28-29H,7H2,1H3/t19-,20-,25+/m1/s1
SMILES: C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@H]2C[C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@]5([C@@]4(CC[C@@H](C5)O)C)O)O)C)O
InChI: InChI=1S/C32H56O9/c1-16(2)24(41-29-28(38)27(37)23(35)15-40-29)7-6-17(3)21-13-22(34)26-19-12-25(36)32(39)14-18(33)8-11-31(32,5)20(19)9-10-30(21,26)4/h16-29,33-39H,6-15H2,1-5H3/t17-,18+,19-,20+,21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32+/m1/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC2=CC=CC=C2)OCCCCCCCCCCCCCCCC
InChI: InChI=1S/C47H87O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-54-38-41(55-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-56-59(53,57-40-34-30-29-31-35-40)58-47-45(51)43(49)42(48)44(50)46(47)52/h29-31,34-35,41-52H,3-28,32-33,36-39H2,1-2H3/t41-,42?,43-,44+,45-,46-,47?,59?/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C5=COC6=CC=CC=C6C5=O)CCCO
InChI: InChI=1S/C33H37N3O7/c1-2-41-31-23(12-8-18-37)25(26-20-42-27-13-7-6-11-24(27)29(26)38)19-28(43-31)30(39)35-16-14-33(15-17-35)32(40)34-21-36(33)22-9-4-3-5-10-22/h3-7,9-11,13,19-20,23,25,31,37H,2,8,12,14-18,21H2,1H3,(H,34,40)/t23-,25-,31+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=CC=C6C=CCC7=CC=CC=C7O)OC8(O5)CC9=CC=CC=C9C8
InChI: InChI=1S/C53H59N3O11/c1-51(2,3)64-43(59)26-25-39(32-57)54-48(60)40(27-33-15-6-5-7-16-33)55(4)50(62)53-30-42-44-45(66-52(65-44)28-36-19-9-10-20-37(36)29-52)47(53)67-56(46(53)49(61)63-42)31-38-21-11-8-17-34(38)22-14-23-35-18-12-13-24-41(35)58/h5-22,24,39-40,42,44-47,57-58H,23,25-32H2,1-4H3,(H,54,60)/t39-,40+,42+,44-,45-,46-,47+,53-/m0/s1
SMILES: CC1(C(=O)N([C@]2([C@]13CCCC[C@H]3S2)OC)C4=CC=CC=C4)C
InChI: InChI=1S/C18H23NO2S/c1-16(2)15(20)19(13-9-5-4-6-10-13)18(21-3)17(16)12-8-7-11-14(17)22-18/h4-6,9-10,14H,7-8,11-12H2,1-3H3/t14-,17+,18-/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C(=CC[C@]2(C1=O)C)C=C)C3=C(C=C(C=C3)OCC4=CC=CC=C4)O)C)C
InChI: InChI=1S/C29H30O4/c1-6-21-14-15-28(4)26(31)18(2)19(3)27(32)29(28,5)25(21)23-13-12-22(16-24(23)30)33-17-20-10-8-7-9-11-20/h6-14,16,25,30H,1,15,17H2,2-5H3/t25-,28+,29-/m1/s1
SMILES: C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)OC(=O)CCCCCCC(=O)O
InChI: InChI=1S/C32H44O7/c1-30-16-13-23(39-29(36)8-6-4-3-5-7-27(33)34)19-22(30)10-11-26-25(30)14-17-31(2)24(15-18-32(26,31)37)21-9-12-28(35)38-20-21/h9,12,19-20,23-26,37H,3-8,10-11,13-18H2,1-2H3,(H,33,34)/t23-,24+,25-,26+,30-,31+,32-/m0/s1
SMILES: COC1=C(C=CC(=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)COC(=O)C4=CC(=C(C=C4)O)OC)O)O)O)O)O
InChI: InChI=1S/C29H30O14/c1-38-21-10-15(4-6-17(21)30)27(36)40-12-14-3-8-20(19(32)9-14)42-29-26(35)25(34)24(33)23(43-29)13-41-28(37)16-5-7-18(31)22(11-16)39-2/h3-11,23-26,29-35H,12-13H2,1-2H3/t23-,24-,25+,26-,29-/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@H](C=C)OC(=O)C2=CC=CC=C2)[C@@H](CO[Si](C)(C)C(C)(C)C)OC3CCCO3)C
InChI: InChI=1S/C27H42O7Si/c1-9-20(32-25(28)19-14-11-10-12-15-19)23-24(34-27(5,6)33-23)21(31-22-16-13-17-29-22)18-30-35(7,8)26(2,3)4/h9-12,14-15,20-24H,1,13,16-18H2,2-8H3/t20-,21+,22?,23-,24+/m0/s1
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H14N2O10/c15-4-8-9(16)10(17)11(18)12(24-8)23-7-2-1-5(13(19)20)3-6(7)14(21)22/h1-3,8-12,15-18H,4H2/t8-,9+,10+,11-,12-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])SC1)C(=O)O
InChI: InChI=1S/C19H17N3O8S/c1-10(23)30-8-12-9-31-18-15(17(25)21(18)16(12)19(26)27)20-14(24)7-6-11-4-2-3-5-13(11)22(28)29/h2-7,15,18H,8-9H2,1H3,(H,20,24)(H,26,27)/b7-6+/t15-,18-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)(O)O
InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
SMILES: C[C@H](CCC(=O)N/[N+](=C\C1=CC=CC=C1)/C(=C\Cl)/[O-])[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C33H47ClN2O3/c1-22(9-14-30(38)35-36(31(39)20-34)21-23-7-5-4-6-8-23)27-12-13-28-26-11-10-24-19-25(37)15-17-32(24,2)29(26)16-18-33(27,28)3/h4-8,20-22,24-29,37H,9-19H2,1-3H3,(H-,35,38,39)/b31-20+,36-21-/t22-,24+,25-,26+,27-,28+,29+,32+,33-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H](C2=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C21H37NO5SSi2/c1-15-11-13-17(14-12-15)28(24,25)22-19(23)18(20(22)27-29(6,7)8)16(2)26-30(9,10)21(3,4)5/h11-14,16,18,20H,1-10H3/t16-,18+,20-/m1/s1
SMILES: CC1(O[C@H]2C=CC(=O)[C@@H]3[C@H]([C@@H]2O1)OC(O3)(C)C)C
InChI: InChI=1S/C13H18O5/c1-12(2)15-8-6-5-7(14)9-11(10(8)17-12)18-13(3,4)16-9/h5-6,8-11H,1-4H3/t8-,9+,10+,11+/m0/s1
SMILES: COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N[C@H]3C[C@@H]4CC[C@H]3C4)OC
InChI: InChI=1S/C19H23N3O4S/c1-24-14-7-13(8-15(9-14)25-2)18-21-22-19(26-18)27-10-17(23)20-16-6-11-3-4-12(16)5-11/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,20,23)/t11-,12+,16+/m1/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)O)C(=O)OC[C@H]4CCCO4
InChI: InChI=1S/C24H29NO5/c1-14-20(23(28)30-13-17-8-5-9-29-17)21(15-6-4-7-16(26)10-15)22-18(25-14)11-24(2,3)12-19(22)27/h4,6-7,10,17,21-22,26H,5,8-9,11-13H2,1-3H3/t17-,21-,22-/m1/s1
SMILES: CCO[C@@]12CCC(=O)[C@]3([C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)CCC6=CC=CC=C6)C
InChI: InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21-,25+,26+,27-/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O
InChI: InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15+,16+,19+,20+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(C(=O)OCC(C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5[N+](=O)[O-])C(=O)OCC(C6=CC=CC=C6[N+](=O)[O-])C7=CC=CC=C7[N+](=O)[O-])CO)O
InChI: InChI=1S/C40H33N9O15/c50-18-34-33(51)17-35(64-34)44-22-43-36-37(44)41-21-42-38(36)45(39(52)62-19-27(23-9-1-5-13-29(23)46(54)55)24-10-2-6-14-30(24)47(56)57)40(53)63-20-28(25-11-3-7-15-31(25)48(58)59)26-12-4-8-16-32(26)49(60)61/h1-16,21-22,27-28,33-35,50-51H,17-20H2/t33-,34+,35+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(C=CC(=C4)O)C)C
InChI: InChI=1S/C21H26O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,8,10,12,17-19,23H,6-7,9,11H2,1-3H3/t17-,18-,19-,20-,21-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)[C@H]5CCC(=O)O5
InChI: InChI=1S/C31H52O3Si/c1-20(27-13-14-28(32)33-27)24-11-12-25-23-10-9-21-19-22(34-35(7,8)29(2,3)4)15-17-30(21,5)26(23)16-18-31(24,25)6/h9,20,22-27H,10-19H2,1-8H3/t20-,22-,23-,24+,25-,26-,27+,30-,31+/m0/s1
SMILES: CCCCCCCCCCC1=C(C2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=C(C=C4)C(C)C
InChI: InChI=1S/C30H42N2O5/c1-4-5-6-7-8-9-10-11-12-25-28(22-15-13-21(14-16-22)20(2)3)23-18-32(30(35)31-29(23)37-25)27-17-24(34)26(19-33)36-27/h13-16,18,20,24,26-27,33-34H,4-12,17,19H2,1-3H3/t24-,26+,27+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H23N3O6/c1-15-7-9-17(10-8-15)23(30)33-18-13-21(32-19(18)14-28)27-12-11-20(26-24(27)31)25-22(29)16-5-3-2-4-6-16/h2-12,18-19,21,28H,13-14H2,1H3,(H,25,26,29,31)/t18-,19+,21+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1
SMILES: C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
InChI: InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22?,23+,24-,27-,28-,29+,30+,31-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C18H19F3N2O6/c1-10-6-15(24)13(14(10)8-23(27)28)7-17(26)29-9-16(25)22-12-4-2-11(3-5-12)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3,(H,22,25)/t10-,13-,14-/m1/s1
SMILES: CCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)CCC(C(CC[C@@H]2[C@H](OC(O2)(C)C)CCCCCCCCC=C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C49H76O8S/c1-7-9-11-13-15-17-19-27-33-41-43(56-48(3,4)54-41)35-36-45(53-47(50)39-29-23-21-24-30-39)46(58(51,52)40-31-25-22-26-32-40)38-37-44-42(55-49(5,6)57-44)34-28-20-18-16-14-12-10-8-2/h8,21-26,29-32,41-46H,2,7,9-20,27-28,33-38H2,1,3-6H3/t41-,42-,43-,44-,45?,46?/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=C(C1=O)[C@@H](C(=C(N2)C)C(=O)OCC)C3=CC=CC=C3Cl)C4=CC=CC=C4OC
InChI: InChI=1S/C29H30ClNO6/c1-5-36-28(33)23-16(3)31-21-15-19(17-11-8-10-14-22(17)35-4)25(29(34)37-6-2)27(32)26(21)24(23)18-12-7-9-13-20(18)30/h7-14,19,24-25,31H,5-6,15H2,1-4H3/t19-,24-,25+/m1/s1
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C23H20N2O5/c1-29-20-10-16-13-6-4-5-9-18(13)30-19(16)11-17(20)24-21(26)12-25-22(27)14-7-2-3-8-15(14)23(25)28/h2-6,9-11,14-15H,7-8,12H2,1H3,(H,24,26)/t14-,15+
SMILES: COC1=CC=C(C=C1)NC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C18H20N2O4/c1-24-13-6-4-12(5-7-13)19-14(21)9-20-17(22)15-10-2-3-11(8-10)16(15)18(20)23/h4-7,10-11,15-16H,2-3,8-9H2,1H3,(H,19,21)/t10-,11+,15-,16-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H23FN2O3S/c1-12-4-3-5-16(13(12)2)22-18(24)10-26-20(25)17-11-27-19(23-17)14-6-8-15(21)9-7-14/h6-9,11-13,16H,3-5,10H2,1-2H3,(H,22,24)/t12-,13+,16+/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)C4=C(C(=C(C(=C4F)F)F)F)F)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C39H35F5N2O4/c1-21-30(19-46(3)22(2)27-13-12-24-6-4-5-7-28(24)18-27)49-39(50-37(21)25-10-8-23(20-47)9-11-25)26-14-16-29(17-15-26)45-38(48)31-32(40)34(42)36(44)35(43)33(31)41/h4-18,21-22,30,37,39,47H,19-20H2,1-3H3,(H,45,48)/t21-,22-,30+,37+,39+/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O)O
InChI: InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@]1(CO2)C3=CC=CC=C3)C/C=C\CCCC(=O)O)COCC4=CC=CC=C4
InChI: InChI=1S/C27H32O4/c28-26(29)16-10-2-1-9-15-24-23(19-30-18-21-11-5-3-6-12-21)25-17-27(24,20-31-25)22-13-7-4-8-14-22/h1,3-9,11-14,23-25H,2,10,15-20H2,(H,28,29)/b9-1-/t23-,24-,25-,27-/m1/s1
SMILES: C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=CC=C(C=C5)O)C(=O)O)F
InChI: InChI=1S/C20H17FN4O4/c21-15-5-11-17(27)14(20(28)29)8-25(9-1-3-10(26)4-2-9)18(11)23-19(15)24-6-12-13(7-24)16(12)22/h1-5,8,12-13,16,26H,6-7,22H2,(H,28,29)/t12-,13+,16?
SMILES: C[C@H](CN1CCN(CC1)C2=NC=CC=N2)[C@H]3CCC4[C@@]3(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)O)C)C
InChI: InChI=1S/C30H46N4O/c1-21(20-33-15-17-34(18-16-33)28-31-13-4-14-32-28)25-7-8-26-24-6-5-22-19-23(35)9-11-29(22,2)27(24)10-12-30(25,26)3/h4-5,13-14,21,23-27,35H,6-12,15-20H2,1-3H3/t21-,23+,24?,25-,26?,27?,29+,30-/m1/s1
SMILES: C[C@]12CC[C@H](CC1=CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]45CO5)C)O[C@@H]6CCCCO6
InChI: InChI=1S/C25H38O3/c1-23-11-8-18(28-22-5-3-4-14-26-22)15-17(23)6-7-19-20(23)9-12-24(2)21(19)10-13-25(24)16-27-25/h6,18-22H,3-5,7-16H2,1-2H3/t18-,19+,20+,21-,22-,23+,24+,25-/m1/s1
SMILES: C[C@@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4[NH2+]CC[NH3+])C)O
InChI: InChI=1S/C21H38N2O/c1-20-9-7-15(24)13-14(20)3-4-16-17-5-6-19(23-12-11-22)21(17,2)10-8-18(16)20/h14-19,23-24H,3-13,22H2,1-2H3/p+2/t14-,15-,16-,17+,18-,19-,20+,21+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)OCC5=CC=C(C=C5)OC)O
InChI: InChI=1S/C34H36O7/c1-37-28-20-18-24(19-21-28)22-39-32-30(35)29(41-33(38-2)31(32)36)23-40-34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,29-33,35-36H,22-23H2,1-2H3/t29-,30-,31-,32+,33+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2CC3=C(C(=O)CC3[C@@H]4[C@H]2[C@H]([C@@H]([C@H]4OCOC)COCOC)[Si](C)(C)C5=CC=CC=C5)[Si](C)(C)C
InChI: InChI=1S/C35H50O7SSi2/c1-23-14-16-24(17-15-23)43(37,38)30-19-27-26(18-29(36)34(27)44(4,5)6)31-32(30)35(45(7,8)25-12-10-9-11-13-25)28(20-41-21-39-2)33(31)42-22-40-3/h9-17,26,28,30-33,35H,18-22H2,1-8H3/t26?,28-,30-,31-,32+,33-,35+/m1/s1
SMILES: C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])C#N
InChI: InChI=1S/C23H32N2O3S/c24-15-19-16-11-7-5-3-1-2-4-6-8-14-20(16)29-22(19)25-21(26)17-12-9-10-13-18(17)23(27)28/h17-18H,1-14H2,(H,25,26)(H,27,28)/p-1/t17-,18-/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)N2C=C(C(=O)NC2=O)C)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C53H96N3O13P/c1-5-8-11-14-17-20-22-25-28-31-34-37-46(59)66-43(36-33-30-27-24-19-16-13-10-7-3)39-45(58)54-48-50(68-47(60)38-35-32-29-26-23-21-18-15-12-9-6-2)49(69-70(63,64)65)44(41-57)67-52(48)56-40-42(4)51(61)55-53(56)62/h40,43-44,48-50,52,57H,5-39,41H2,1-4H3,(H,54,58)(H,55,61,62)(H2,63,64,65)/t43-,44-,48-,49-,50-,52-/m1/s1
SMILES: CC1=CN(C(=O)N=C1NC)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H46N4O7SSi2/c1-16-13-29(22(30)28-20(16)27-8)21-19(35-39(11,12)24(5,6)7)25(17(26)15-37(31,32)36-25)18(34-21)14-33-38(9,10)23(2,3)4/h13,15,18-19,21H,14,26H2,1-12H3,(H,27,28,30)/t18-,19+,21-,25-/m1/s1
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC(=C(C=C4)C(F)(F)F)F
InChI: InChI=1S/C25H28F4N2O3/c1-31-13-17-11-18(30-23(32)15-4-6-19(20(26)10-15)25(27,28)29)8-9-24(17,14-31)16-5-7-21(33-2)22(12-16)34-3/h4-7,10,12,17-18H,8-9,11,13-14H2,1-3H3,(H,30,32)/t17-,18-,24+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F
InChI: InChI=1S/C18H20FN3OS2/c19-15-5-2-11(3-6-15)10-24-18-22-21-17(25-18)20-16(23)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,20,21,23)/t12-,13+,14+/m0/s1
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C22H31N3O2S/c1-4-5-14-25-21(27)17-11-7-9-13-19(17)24-22(25)28-16(3)20(26)23-18-12-8-6-10-15(18)2/h7,9,11,13,15-16,18H,4-6,8,10,12,14H2,1-3H3,(H,23,26)/t15-,16+,18-/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C22H30N4O4/c1-4-16-10-5-6-11-17(16)23-18(27)13-25(3)19(28)14-26-20(29)22(24-21(26)30)12-8-7-9-15(22)2/h5-6,10-11,15H,4,7-9,12-14H2,1-3H3,(H,23,27)(H,24,30)/t15-,22-/m0/s1
SMILES: CC1(N([C@H](CO1)C#C[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C39H47NO8/c1-38(2,3)48-37(42)40-31(27-46-39(40,4)5)21-22-32-34(43-24-28-15-9-6-10-16-28)36(45-26-30-19-13-8-14-20-30)35(33(23-41)47-32)44-25-29-17-11-7-12-18-29/h6-20,31-36,41H,23-27H2,1-5H3/t31-,32+,33+,34-,35-,36+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C(=C(NC1=O)SCC=C)C#N)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C17H15ClN2O3S/c1-3-8-24-16-12(9-19)13(10-4-6-11(18)7-5-10)14(15(21)20-16)17(22)23-2/h3-7,13-14H,1,8H2,2H3,(H,20,21)/t13-,14+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CC[C@@H]2[C@](C3)(C4=CN=CC=C4)O
InChI: InChI=1S/C18H20N2O3S/c1-13-4-7-16(8-5-13)24(22,23)20-15-6-9-17(20)18(21,11-15)14-3-2-10-19-12-14/h2-5,7-8,10,12,15,17,21H,6,9,11H2,1H3/t15-,17+,18-/m0/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@H]3[C@@]45[C@@H]2[C@H]([C@@H](C41)C6=CC(=C(C=C6[C@H]5CO3)O)OC)OC)O)CO
InChI: InChI=1S/C23H31NO6/c1-4-24-9-22(10-25)16(27)7-17-23-13(8-30-17)11-5-14(26)15(28-2)6-12(11)18(21(23)24)19(29-3)20(22)23/h5-6,13,16-21,25-27H,4,7-10H2,1-3H3/t13-,16-,17+,18+,19+,20-,21?,22+,23+/m1/s1
SMILES: CC(COC(=O)C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI: InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1