EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=CC(=C8)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C62H78N2O11/c1-3-5-6-7-8-9-10-11-12-20-35-69-61(68)64(41-46-28-30-56-57(37-46)71-44-70-56)58-40-54(63-73-43-45-22-14-13-15-23-45)52-38-48(25-16-18-32-65)51(27-17-19-33-66)59-53-39-50(74-49-26-21-24-47(36-49)42-67)29-31-55(53)75-62(58,60(52)59)72-34-4-2/h4,13-15,21-24,26,28-31,36-39,42,48,51,58-60,65-66H,2-3,5-12,16-20,25,27,32-35,40-41,43-44H2,1H3/t48-,51+,58-,59+,60+,62+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C
InChI: InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1
SMILES: C1CC1C[N+]2(CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)[O-]
InChI: InChI=1S/C20H23NO5/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)26-18)7-8-21(15,25)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-,21?/m1/s1
SMILES: C/C(=C\C=C\[C@]1(COC(=O)[C@@]23CC[C@@H]1[C@]2(CCC(=CC3)C(=O)OC)O)C)/C(=O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C28H38O12/c1-15(22(33)40-24-21(32)20(31)19(30)17(13-29)39-24)5-4-9-26(2)14-38-25(35)27-10-6-16(23(34)37-3)7-12-28(27,36)18(26)8-11-27/h4-6,9,17-21,24,29-32,36H,7-8,10-14H2,1-3H3/b9-4+,15-5+/t17-,18+,19-,20+,21-,24-,26+,27-,28+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(CC(=O)ON(C)C(=S)SC)C(=O)OC(C)(C)C)[Se]CC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H46N2O6S2SeSi/c1-19(37-41(10,11)29(5,6)7)23-24(33)31(25(23)40-18-20-15-13-12-14-16-20)21(26(34)35-28(2,3)4)17-22(32)36-30(8)27(38)39-9/h12-16,19,21,23,25H,17-18H2,1-11H3/t19-,21?,23+,25-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2[C@H]([C@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C26H26ClNO4/c1-15-6-9-20(13-16(15)2)28-24(18-7-10-22(30-4)23(14-18)31-5)25(26(28)29)32-21-11-8-19(27)12-17(21)3/h6-14,24-25H,1-5H3/t24-,25+/m0/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)CSC3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI: InChI=1S/C23H26ClNS2/c24-17-10-11-22-19(14-17)23(18-7-1-2-9-21(18)27-22)26-15-16-6-5-13-25-12-4-3-8-20(16)25/h1-2,7,9-11,14,16,20,23H,3-6,8,12-13,15H2/t16-,20+,23?/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C30H22O2/c31-29(19-11-3-1-4-12-19)27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28(27)30(32)20-13-5-2-6-14-20/h1-18,25-28H/t25?,26?,27-,28-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N[C@H]2[C@@H](CCC3=CC=CC=C23)C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5
InChI: InChI=1S/C41H46N2O6/c1-47-35-26-31(27-36(48-2)39(35)49-3)38(44)41(46)43-37-33-23-11-10-20-30(33)24-25-34(37)40(45)42-32(21-12-18-28-14-6-4-7-15-28)22-13-19-29-16-8-5-9-17-29/h4-11,14-17,20,23,26-27,32,34,37H,12-13,18-19,21-22,24-25H2,1-3H3,(H,42,45)(H,43,46)/t34-,37-/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3)[C@@]4([NH2+]1)C5=CC=CC=C5N(C4=O)CC#C
InChI: InChI=1S/C23H19N3O3/c1-3-13-25-17-12-8-7-11-16(17)23(22(25)29)19-18(14(2)24-23)20(27)26(21(19)28)15-9-5-4-6-10-15/h1,4-12,14,18-19,24H,13H2,2H3/p+1/t14-,18-,19-,23-/m0/s1
SMILES: CC1=C(C=C(C=C1)O)CC[C@@H]2[C@@H](CC[C@]3([C@H]2C[C@@H]([C@@H]3[C@@H](C)CCCC(C)C)O)C)O
InChI: InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22-,23-,24+,25-,26-,27-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CNC2=CC=CC=C21)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H20N2O5/c1-12(23-19(25)14-7-2-3-8-15(14)20(23)26)21(27)28-11-18(24)16-10-22-17-9-5-4-6-13(16)17/h2-6,9-10,12,14-15,22H,7-8,11H2,1H3/t12-,14-,15-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@]2(S)SC)[C@H]3[C@]1([C@]4(C=CC(=O)C=C4CC3)C)F)C
InChI: InChI=1S/C22H29FO3S2/c1-13(24)26-18-12-20(3)16(8-10-21(20,27)28-4)17-6-5-14-11-15(25)7-9-19(14,2)22(17,18)23/h7,9,11,16-18,27H,5-6,8,10,12H2,1-4H3/t16-,17-,18-,19-,20-,21+,22-/m0/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@H](O2)CO)CO)F
InChI: InChI=1S/C11H16FN3O4/c1-5-2-15(11(18)14-9(5)13)10-8(12)6(3-16)7(4-17)19-10/h2,6-8,10,16-17H,3-4H2,1H3,(H2,13,14,18)/t6-,7+,8-,10-/m0/s1
SMILES: CC1=CC(=CC=C1)CN2C3=C(C[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)OCC9=CC=CC(=C9)C)C1=CC=CC(=C12)C
InChI: InChI=1S/C43H44N2O3/c1-26-7-4-10-30(19-26)24-45-38-28(3)9-6-12-33(38)34-22-43(47-25-31-11-5-8-27(2)20-31)36-21-32-15-16-35(46)40-37(32)42(43,41(48-40)39(34)45)17-18-44(36)23-29-13-14-29/h4-12,15-16,19-20,29,36,41,46H,13-14,17-18,21-25H2,1-3H3/t36-,41+,42+,43-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2CC[C@@H]([C@@H]1CC(C3=CC(=CC=C3)C(=O)O)OC(=O)C)O2
InChI: InChI=1S/C20H24O7/c1-11(21)25-10-16-15(17-6-7-18(16)27-17)9-19(26-12(2)22)13-4-3-5-14(8-13)20(23)24/h3-5,8,15-19H,6-7,9-10H2,1-2H3,(H,23,24)/t15-,16+,17+,18-,19?/m1/s1
SMILES: C[C@@H]1CCCC(=O)C=CC(=O)O[C@]23[C@@H](C=CC1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O
InChI: InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,23+,24+,26+,27-,29-/m1/s1
SMILES: C1[C@H]2[C@H](CO[C@H](O2)CN=[N+]=[N-])O[C@@H](O1)CN=[N+]=[N-]
InChI: InChI=1S/C8H12N6O4/c9-13-11-1-7-15-3-6-5(17-7)4-16-8(18-6)2-12-14-10/h5-8H,1-4H2/t5-,6-,7+,8+/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN(C)[C@@H](C)[C@@H](C7=CC=CC=C7)O
InChI: InChI=1S/C48H51N3O8/c1-31-42(28-50(3)32(2)44(54)37-14-8-5-9-15-37)58-47(59-45(31)38-19-17-33(29-52)18-20-38)39-23-21-36(22-24-39)40-16-10-13-35(25-40)27-51-43(53)26-41(46(51)55)49-48(56)57-30-34-11-6-4-7-12-34/h4-25,31-32,41-42,44-45,47,52,54H,26-30H2,1-3H3,(H,49,56)/t31-,32+,41?,42+,44+,45+,47+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C26H28N2O3/c29-24-21-12-6-7-13-22(21)25(30)28(24)23(16-18-8-2-1-3-9-18)26(31)27-15-14-19-10-4-5-11-20(19)17-27/h1-3,6-9,12-13,19-20,23H,4-5,10-11,14-17H2/t19-,20+,23-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CC5=C(C=C4)OC(=N5)N)/CO2)C)C)C)(C)O
InChI: InChI=1S/C42H63N5O12/c1-12-32-42(9,52)37-23(4)33(44-26(7)48)21(2)17-41(8,54-20-28(19-53-37)46-55-18-27-13-14-31-29(16-27)45-40(43)57-31)36(24(5)34(49)25(6)38(51)58-32)59-39-35(50)30(47(10)11)15-22(3)56-39/h13-14,16,21-25,30,32,35-37,39,50,52H,12,15,17-20H2,1-11H3,(H2,43,45)/b44-33?,46-28+/t21-,22-,23+,24+,25-,30+,32-,35-,36-,37+,39+,41-,42-/m1/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=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCCCCCC6
InChI: InChI=1S/C40H48F3N3O5/c1-27-35(25-45-21-7-3-2-4-8-22-45)50-38(51-36(27)30-15-13-28(26-47)14-16-30)31-19-17-29(18-20-31)33-11-6-5-10-32(33)24-44-37(48)34-12-9-23-46(34)39(49)40(41,42)43/h5-6,10-11,13-20,27,34-36,38,47H,2-4,7-9,12,21-26H2,1H3,(H,44,48)/t27-,34-,35+,36+,38+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C35H42N2O7Si/c1-34(2,3)45(5,6)44-31-30(39)28(43-32(31)37-22-21-29(38)36-33(37)40)23-42-35(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(41-4)20-18-26/h7-22,28,30-32,39H,23H2,1-6H3,(H,36,38,40)/t28-,30-,31-,32-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OCCN=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C14H19Cl3N4O7/c1-6-9(26-7(2)22)10(24-5-4-20-21-19)11(27-8(3)23)12(25-6)28-13(18)14(15,16)17/h6,9-12,18H,4-5H2,1-3H3/t6-,9-,10+,11-,12-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C20H28N2O4/c1-2-26-18-10-6-5-9-17(18)21-11-13-22(14-12-21)19(23)15-7-3-4-8-16(15)20(24)25/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,24,25)/p-1/t15-,16+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](C([C@H](O2)N3C=C(C(=NC3=O)N)I)(F)F)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H18F2IN3O6/c24-23(25)17(35-20(31)14-9-5-2-6-10-14)16(12-33-19(30)13-7-3-1-4-8-13)34-21(23)29-11-15(26)18(27)28-22(29)32/h1-11,16-17,21H,12H2,(H2,27,28,32)/t16-,17-,21-/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH+](C)CC(OC)OC)CO3
InChI: InChI=1S/C20H33NO5/c1-19-6-5-7-20(12-25-20)16(19)8-13-14(18(22)26-15(13)9-19)10-21(2)11-17(23-3)24-4/h13-17H,5-12H2,1-4H3/p+1/t13-,14-,15-,16-,19-,20+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CCSC[C@H]1C[C@@H]2CSCCC23OCCO3
InChI: InChI=1S/C19H36O3S2Si/c1-4-25(5-2,6-3)22-18-7-11-23-14-16(18)13-17-15-24-12-8-19(17)20-9-10-21-19/h16-18H,4-15H2,1-3H3/t16-,17-,18+/m1/s1
SMILES: C[C@@H](CC(=O)O[C@@H]1[C@@H](C[C@H]2C[C@@H]1C2(C)C)CC3=CC4=CC=CC=C4C=C3)O
InChI: InChI=1S/C24H30O3/c1-15(25)10-22(26)27-23-19(13-20-14-21(23)24(20,2)3)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,15,19-21,23,25H,10,12-14H2,1-3H3/t15-,19+,20-,21-,23+/m0/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)C6=CC=C(C=C6)Cl)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C33H26BrClN2O5/c1-33-25(30(40)37(32(33)42)19-5-3-2-4-6-19)16-23-21(28(33)24-15-17(34)7-14-26(24)38)12-13-22-27(23)31(41)36(29(22)39)20-10-8-18(35)9-11-20/h2-12,14-15,22-23,25,27-28,38H,13,16H2,1H3/t22-,23+,25-,27-,28+,33+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C23H34N2O4/c1-15-7-6-8-19(16(15)2)25-20(26)14-29-21(27)13-24-22(28)17-9-11-18(12-10-17)23(3,4)5/h9-12,15-16,19H,6-8,13-14H2,1-5H3,(H,24,28)(H,25,26)/t15-,16-,19+/m1/s1
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H]3CCC[C@@H]3CC2C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C30H38N2O5/c1-3-36-29(34)25(18-17-22-11-6-4-7-12-22)31-21(2)28(33)32-26-16-10-15-24(26)19-27(32)30(35)37-20-23-13-8-5-9-14-23/h4-9,11-14,21,24-27,31H,3,10,15-20H2,1-2H3/t21-,24+,25-,26+,27?/m0/s1
SMILES: CC(CCC(=O)[O-])[C@H]1CCC2[C@@]1([C@H](CC3C2CCC4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@H](C(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)O)C.[Na+].[Na+].[Na+].[Mn+2]
InChI: InChI=1S/C37H59N3O12.Mn.3Na/c1-21(4-11-31(43)44)25-7-8-26-24-6-5-22-16-23(12-13-36(22,2)27(24)17-29(41)37(25,26)3)38-30(42)10-9-28(35(51)52)40(20-34(49)50)15-14-39(18-32(45)46)19-33(47)48;;;;/h21-29,41H,4-20H2,1-3H3,(H,38,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;+2;3*+1/p-5/t21?,22?,23-,24?,25+,26?,27?,28+,29-,36-,37+;;;;/m0..../s1
SMILES: C1CC[C@H]2[C@H](C1)CCC[NH+]2CC(=O)NCCC3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H27ClN2O/c20-17-8-3-5-15(13-17)10-11-21-19(23)14-22-12-4-7-16-6-1-2-9-18(16)22/h3,5,8,13,16,18H,1-2,4,6-7,9-12,14H2,(H,21,23)/p+1/t16-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C
InChI: InChI=1S/C24H29NO6S/c1-16-12-13-18(3)22(14-16)32(28,29)31-21-11-7-5-9-19(21)24(27)30-15-23(26)25-20-10-6-4-8-17(20)2/h5,7,9,11-14,17,20H,4,6,8,10,15H2,1-3H3,(H,25,26)/t17-,20+/m1/s1
SMILES: CC1=CC[C@]2([C@@H](C1)C3=C(C=CC(=C3)Cl)OC2=O)[N+](=O)[O-]
InChI: InChI=1S/C14H12ClNO4/c1-8-4-5-14(16(18)19)11(6-8)10-7-9(15)2-3-12(10)20-13(14)17/h2-4,7,11H,5-6H2,1H3/t11-,14+/m0/s1
SMILES: C1[C@@H]([C@H](C[C@@H]([C@H]1N)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CN)O)O)O)O)N
InChI: InChI=1S/C12H25N3O6/c13-3-8-9(17)10(18)11(19)12(21-8)20-7-2-6(16)4(14)1-5(7)15/h4-12,16-19H,1-3,13-15H2/t4-,5-,6-,7-,8-,9-,10+,11-,12+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]14CC[C@@H]([C@@H]4CC2=O)O)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C22H28O3/c1-21-9-7-16-15-5-4-14(25-2)11-13(15)3-6-17(16)22(21)10-8-19(23)18(22)12-20(21)24/h4-5,11,16-19,23H,3,6-10,12H2,1-2H3/t16-,17-,18+,19+,21-,22+/m1/s1
SMILES: C1CC2=CC=CC=C2[C@@]3(C1)C(=O)N(C(=O)N3)[C@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C16H18N2O5S/c19-13-9-24(22,23)8-12(13)18-14(20)16(17-15(18)21)7-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12-13,19H,3,5,7-9H2,(H,17,21)/t12-,13-,16-/m0/s1
SMILES: C1[C@@H]([C@H](CS1(=O)=O)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4)O
InChI: InChI=1S/C18H18N4O3S2/c23-15-11-27(24,25)12-16(15)26-18-21-20-17(14-6-8-19-9-7-14)22(18)10-13-4-2-1-3-5-13/h1-9,15-16,23H,10-12H2/t15-,16-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H30N4O3/c1-16-6-5-7-17(2)21(16)24-20(28)14-25-10-12-26(13-11-25)15-27-22(29)18-8-3-4-9-19(18)23(27)30/h3-7,18-19H,8-15H2,1-2H3,(H,24,28)/p+2/t18-,19+
SMILES: C[C@]1([C@@H](C[C@@H](O1)C(C)(C)Br)Cl)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H30BrClO2Si/c1-13(2,3)20(7,8)18-10-15(6)11(17)9-12(19-15)14(4,5)16/h11-12H,9-10H2,1-8H3/t11-,12-,15-/m1/s1
SMILES: C/C/1=C\[C@H]([C@H](C(C/C(=C/CC1)/C)OC(=O)C2=CC(=C(C=C2)O)OC)C(C)C)O
InChI: InChI=1S/C23H32O5/c1-14(2)22-19(25)11-15(3)7-6-8-16(4)12-21(22)28-23(26)17-9-10-18(24)20(13-17)27-5/h8-11,13-14,19,21-22,24-25H,6-7,12H2,1-5H3/b15-11+,16-8+/t19-,21?,22-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@](CN1C(=O)OC(C)(C)C)(C)C(=C)C)CC(=O)O
InChI: InChI=1S/C18H29NO6/c1-8-24-15(22)14-12(9-13(20)21)18(7,11(2)3)10-19(14)16(23)25-17(4,5)6/h12,14H,2,8-10H2,1,3-7H3,(H,20,21)/t12-,14+,18-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N
InChI: InChI=1S/C17H23N3O5/c1-10-4-3-5-15(11(10)2)19-16(21)9-25-17(22)13-8-12(20(23)24)6-7-14(13)18/h6-8,10-11,15H,3-5,9,18H2,1-2H3,(H,19,21)/t10-,11+,15-/m0/s1
SMILES: C1=CN(C(=O)N=C1NC(=O)CCl)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H14ClN3O6/c12-3-7(17)13-6-1-2-15(11(20)14-6)10-9(19)8(18)5(4-16)21-10/h1-2,5,8-10,16,18-19H,3-4H2,(H,13,14,17,20)/t5-,8-,9+,10-/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2C(C([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@@H](C([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=S)N
InChI: InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/p+1/t10-,11+,13?,14-,15?,16?,20+,21+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(O2)(C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C46H42N2O7/c49-44(36-22-12-4-13-23-36)47-39-27-26-38(28-40(39)48-45(50)37-24-14-5-15-25-37)46(51)43(54-31-35-20-10-3-11-21-35)42(53-30-34-18-8-2-9-19-34)41(55-46)32-52-29-33-16-6-1-7-17-33/h1-28,41-43,51H,29-32H2,(H,47,49)(H,48,50)/t41-,42-,43-,46?/m1/s1
SMILES: CC1=CC=C(S1)[C@@H]2N(CCS2)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C18H19NOS2/c1-12-7-8-16(22-12)18-19(9-10-21-18)17(20)15-11-14(15)13-5-3-2-4-6-13/h2-8,14-15,18H,9-11H2,1H3/t14-,15+,18+/m0/s1
SMILES: COC1=CC=CC(=C1OC)C2=NO[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H15ClN2O5/c1-25-13-5-3-4-12(16(13)26-2)15-14-17(27-21-15)19(24)22(18(14)23)11-8-6-10(20)7-9-11/h3-9,14,17H,1-2H3/t14-,17+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H24ClN5OS/c1-11-5-3-8-15(12(11)2)21-16(25)10-26-18-23-22-17(24(18)20)13-6-4-7-14(19)9-13/h4,6-7,9,11-12,15H,3,5,8,10,20H2,1-2H3,(H,21,25)/t11-,12-,15-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)19-17(22-16)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3/t15-,16+/m0/s1
SMILES: CC(=O)OC12[C@@H]3[C@@H](N3C(=O)OC(C)(C)C)CN1C4=C([C@@]2(COCOC)C=O)C(=CC(=C4)C(=O)OC)OCC5=CC=CC=C5
InChI: InChI=1S/C31H36N2O10/c1-19(35)42-31-26-23(33(26)28(37)43-29(2,3)4)14-32(31)22-12-21(27(36)39-6)13-24(41-15-20-10-8-7-9-11-20)25(22)30(31,16-34)17-40-18-38-5/h7-13,16,23,26H,14-15,17-18H2,1-6H3/t23-,26-,30-,31?,33?/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H25FN2O3S/c20-17-3-5-18(6-4-17)26(24,25)22-9-7-21(8-10-22)19(23)13-16-12-14-1-2-15(16)11-14/h3-6,14-16H,1-2,7-13H2/t14-,15+,16-/m0/s1
SMILES: CC(C)(C)OC(=O)/C(=C/C1=CC=C(C=C1)OCOCC[Si](C)(C)C)/O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C25H40O10Si/c1-25(2,3)35-23(30)18(33-24-22(29)21(28)20(27)19(14-26)34-24)13-16-7-9-17(10-8-16)32-15-31-11-12-36(4,5)6/h7-10,13,19-22,24,26-29H,11-12,14-15H2,1-6H3/b18-13-/t19-,20-,21+,22-,24-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=CC=CS3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C30H30O4S/c1-4-11-23(12-5-1)19-31-22-26-28(32-20-24-13-6-2-7-14-24)30(29(34-26)27-17-10-18-35-27)33-21-25-15-8-3-9-16-25/h1-18,26,28-30H,19-22H2/t26-,28-,29+,30-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@]43C)C)O
InChI: InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h7,12,16,18,24H,4-6,8-11H2,1-3H3/t16-,18+,19-,20+,21+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC[C@H]6CO
InChI: InChI=1S/C40H47N3O7S/c1-27-13-19-35(20-14-27)51(47,48)42-36(22-29-8-4-3-5-9-29)39(46)41-33-11-6-10-32(23-33)40-49-37(24-43-21-7-12-34(43)26-45)28(2)38(50-40)31-17-15-30(25-44)16-18-31/h3-6,8-11,13-20,23,28,34,36-38,40,42,44-45H,7,12,21-22,24-26H2,1-2H3,(H,41,46)/t28-,34-,36+,37+,38+,40?/m0/s1
SMILES: CC1=C(C(=CC=C1)[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=CC(=C7)C(=O)O)O
InChI: InChI=1S/C34H25Cl2FN2O7/c1-16-4-2-7-23(27(16)40)26-21-12-13-22-25(29(42)38(28(22)41)20-6-3-5-17(14-20)30(43)44)24(21)15-33(35)31(45)39(32(46)34(26,33)36)19-10-8-18(37)9-11-19/h2-12,14,22,24-26,40H,13,15H2,1H3,(H,43,44)/t22-,24+,25-,26+,33+,34-/m0/s1
SMILES: CC1=CC=C(C=C1)OP(=O)(C(=O)C(C)(C)C)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=C(C(=O)NC6=O)C
InChI: InChI=1S/C43H47N2O10P/c1-28-13-19-35(20-14-28)54-56(49,40(47)42(3,4)5)55-36-25-38(45-26-29(2)39(46)44-41(45)48)53-37(36)27-52-43(30-11-9-8-10-12-30,31-15-21-33(50-6)22-16-31)32-17-23-34(51-7)24-18-32/h8-24,26,36-38H,25,27H2,1-7H3,(H,44,46,48)/t36-,37+,38+,56?/m0/s1
SMILES: C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)OC)O)OC)[C@H]3C[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H](C6[C@@]5(CC[C@@H](C6)O)C)O)C)O
InChI: InChI=1S/C39H68O12/c1-19(2)28(49-37-35(32(44)29(17-40)50-37)51-36-34(47-7)33(45)30(46-6)18-48-36)9-8-20(3)24-16-27(43)31-22-15-26(42)25-14-21(41)10-12-38(25,4)23(22)11-13-39(24,31)5/h19-37,40-45H,8-18H2,1-7H3/t20-,21+,22-,23+,24-,25?,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-/m1/s1
SMILES: COCCC1(CCC(C1)N[C@@H]2CCOC[C@H]2OC)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C25H37F3N4O4/c1-34-14-7-24(6-3-19(16-24)30-20-5-13-36-17-21(20)35-2)23(33)32-11-9-31(10-12-32)22-15-18(4-8-29-22)25(26,27)28/h4,8,15,19-21,30H,3,5-7,9-14,16-17H2,1-2H3/t19?,20-,21-,24?/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=C(C=C2)OCCCN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C40H53N3O7/c1-40(2,3)50-39(47)41-34(25-28-10-5-4-6-11-28)35(44)27-31(38(46)42-37-33-13-8-7-12-30(33)26-36(37)45)24-29-14-16-32(17-15-29)49-21-9-18-43-19-22-48-23-20-43/h4-8,10-17,31,34-37,44-45H,9,18-27H2,1-3H3,(H,41,47)(H,42,46)/t31-,34-,35-,36+,37-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C
InChI: InChI=1S/C51H65N3O12S/c1-5-24-54(67(59,60)40-20-16-37(17-21-40)52-34(3)58)47-32-44(53-66-48-15-9-12-28-62-48)42-30-35(13-7-10-25-55)41(14-8-11-26-56)49-43-31-39(64-38-18-22-45(61-4)36(29-38)33-57)19-23-46(43)65-51(47,50(42)49)63-27-6-2/h6,16-23,29-31,33,35,41,47-50,55-56H,2,5,7-15,24-28,32H2,1,3-4H3,(H,52,58)/t35-,41+,47-,48?,49+,50+,51+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO
InChI: InChI=1S/C25H28N2O4/c1-14-6-5-9-20(15(14)2)27-25(31)19-11-10-18-21(22(19)26-12-13-28)24(30)17-8-4-3-7-16(17)23(18)29/h3-4,7-8,10-11,14-15,20,26,28H,5-6,9,12-13H2,1-2H3,(H,27,31)/t14-,15+,20-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)[C@@H](CO)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C35H36O13/c1-35(2)47-29-27(25(23(37)18-36)45-34(29)48-35)46-33-28(44-32(40)22-16-10-5-11-17-22)26(43-31(39)21-14-8-4-9-15-21)24(42-33)19-41-30(38)20-12-6-3-7-13-20/h3-17,23-29,33-34,36-37H,18-19H2,1-2H3/t23-,24+,25+,26+,27+,28-,29-,33+,34-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)N(CCOC)C2=C(N(C(=O)NC2=O)CC(C)C)N
InChI: InChI=1S/C19H33N5O3S/c1-12(2)11-24-16(20)15(17(25)22-18(24)26)23(9-10-27-4)19(28)21-14-8-6-5-7-13(14)3/h12-14H,5-11,20H2,1-4H3,(H,21,28)(H,22,25,26)/t13-,14+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]4C[C@@H]4C(O3)O
InChI: InChI=1S/C22H28O3Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21,23H,14-15H2,1-3H3/t18-,19+,20-,21?/m1/s1
SMILES: CCC(CC)(CCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C)O
InChI: InChI=1S/C27H46O4/c1-5-27(30,6-2)14-15-31-19(3)24-11-12-25-21(8-7-13-26(24,25)4)10-9-20-16-22(28)18-23(29)17-20/h9-10,19,22-25,28-30H,5-8,11-18H2,1-4H3/b21-10+/t19-,22-,23-,24-,25+,26-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2
InChI: InChI=1S/C17H31N3O2/c1-12-8-6-7-11-15(12)18-13(2)16(21)20-17(22)19-14-9-4-3-5-10-14/h12-15,18H,3-11H2,1-2H3,(H2,19,20,21,22)/p+1/t12-,13-,15+/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)[C@H](C)OC(=O)C)CN5CCCCCCC5
InChI: InChI=1S/C38H48N2O6/c1-26-35(24-40-19-7-5-4-6-8-20-40)45-38(46-36(26)31-17-15-29(25-41)16-18-31)34-14-10-13-33(22-34)32-12-9-11-30(21-32)23-39-37(43)27(2)44-28(3)42/h9-18,21-22,26-27,35-36,38,41H,4-8,19-20,23-25H2,1-3H3,(H,39,43)/t26-,27-,35+,36+,38+/m0/s1
SMILES: CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OP(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=CC=CC=C43)O)O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)C6=CC(=CC=C6)C(=O)N)O)O
InChI: InChI=1S/C34H40N4O18P2/c1-17(20-12-24(49-2)25(50-3)13-23(20)38(44)45)55-58(48,52-15-27-29(40)31(42)34(54-27)37-16-36-21-9-4-5-10-22(21)37)56-57(46,47)51-14-26-28(39)30(41)32(53-26)18-7-6-8-19(11-18)33(35)43/h4-13,16-17,26-32,34,39-42H,14-15H2,1-3H3,(H2,35,43)(H,46,47)/t17?,26-,27-,28-,29-,30-,31-,32+,34-,58?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C=C2CO[C@@H]3[C@H]2[C@H]1C(=CO3)C(=O)OC
InChI: InChI=1S/C17H26O5Si/c1-17(2,3)23(5,6)22-12-7-10-8-20-16-13(10)14(12)11(9-21-16)15(18)19-4/h7,9,12-14,16H,8H2,1-6H3/t12-,13+,14-,16-/m0/s1
SMILES: CC1=C2C[C@]3(C[C@H]4[C@@]([C@H]3C5=C2C(=C(C=C5)C)C1)(C[C@H]6[C@@H]([C@@](COC(O6)(C)C)(C)O)OC(O4)(C)C)C)C
InChI: InChI=1S/C31H44O5/c1-17-10-11-19-24-20(17)12-18(2)21(24)13-29(7)15-23-30(8,25(19)29)14-22-26(36-28(5,6)35-23)31(9,32)16-33-27(3,4)34-22/h10-11,22-23,25-26,32H,12-16H2,1-9H3/t22-,23-,25-,26-,29-,30-,31-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=CC=C3)I
InChI: InChI=1S/C18H19IN2O5/c19-11-4-3-5-12(8-11)20-15(22)10-26-16(23)9-21-17(24)13-6-1-2-7-14(13)18(21)25/h3-5,8,13-14H,1-2,6-7,9-10H2,(H,20,22)/t13-,14+
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=CC=C3F
InChI: InChI=1S/C19H24FN3O3/c1-13-6-4-5-10-19(13)17(25)23(18(26)22-19)12-16(24)21-11-9-14-7-2-3-8-15(14)20/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,21,24)(H,22,26)/t13-,19-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=S)C4=CC(=CC=C4)OC
InChI: InChI=1S/C19H20N2O4S2/c1-24-15-8-6-13(7-9-15)20-17-11-27(22,23)12-18(17)21(19(20)26)14-4-3-5-16(10-14)25-2/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m0/s1
SMILES: C1CC1CC2CC[C@]34C5[C@@H]([C@@H]6C([C@]3([C@@H]2CC7=C4C(=C(C=C7)O)O5)O)O6)N8C(=O)C9=CC=CC=C9C8=O
InChI: InChI=1S/C29H27NO6/c31-19-8-7-15-12-18-14(11-13-5-6-13)9-10-28-20(15)22(19)35-24(28)21(23-25(36-23)29(18,28)34)30-26(32)16-3-1-2-4-17(16)27(30)33/h1-4,7-8,13-14,18,21,23-25,31,34H,5-6,9-12H2/t14?,18-,21-,23-,24?,25?,28+,29+/m1/s1
SMILES: CN1C(=CC(=O)N(C1=O)C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C14H19N3O3/c1-16-11(7-12(18)17(2)14(16)20)15-13(19)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,15,19)/t8-,9-,10+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)C(=S)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H53NO4SSi3/c1-22(2,3)31(10,11)26-16-17-18(28-32(12,13)23(4,5)6)19(20(27-17)21(25)30)29-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3,(H2,25,30)/t17-,18-,19-,20-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@H](C)[C@@H](C(C)C)O)C2=CC=CC=C2
InChI: InChI=1S/C17H23NO4/c1-10(2)14(19)11(3)16(20)18-12(4)15(22-17(18)21)13-8-6-5-7-9-13/h5-12,14-15,19H,1-4H3/t11-,12+,14-,15+/m1/s1
SMILES: C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H29N3O3/c1-23(2)14-16-8-4-3-7-15(16)13-22-19(25)11-12-24-20(26)17-9-5-6-10-18(17)21(24)27/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3,(H,22,25)/p+1/t17-,18+