EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7)O)Cl)C(=O)N(C5=O)C8=CC(=C(C(=C8)[N+](=O)[O-])N(C)C)[N+](=O)[O-]
InChI: InChI=1S/C41H35ClN6O9/c1-21-9-11-23(12-10-21)43-46-38(51)30-20-29-26(35(27-14-13-25(49)19-31(27)42)41(30,40(46)53)22-7-5-4-6-8-22)15-16-28-34(29)39(52)45(37(28)50)24-17-32(47(54)55)36(44(2)3)33(18-24)48(56)57/h4-15,17-19,28-30,34-35,43,49H,16,20H2,1-3H3/t28-,29+,30-,34-,35+,41+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C21H28N4O3S/c1-13-7-5-10-17(14(13)2)22-21(29)24-23-18(26)11-6-12-25-19(27)15-8-3-4-9-16(15)20(25)28/h3-4,8-9,13-14,17H,5-7,10-12H2,1-2H3,(H,23,26)(H2,22,24,29)/t13-,14+,17-/m0/s1
SMILES: [2H][C@@]1(CCO[C@]23[C@H]([C@@](CN2C(=O)[C@]1(NC3=O)O)(C)O)O)CN4CCOCC4
InChI: InChI=1S/C16H25N3O7/c1-14(23)9-19-13(22)15(24)10(8-18-3-6-25-7-4-18)2-5-26-16(19,11(14)20)12(21)17-15/h10-11,20,23-24H,2-9H2,1H3,(H,17,21)/t10-,11+,14+,15-,16+/m1/s1/i10D
SMILES: CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C=CC3=C2C=C4C(=C3)C=CC5=CC=CC=C54
InChI: InChI=1S/C26H20O4/c1-15(27)29-25-12-11-21-22(26(25)30-16(2)28)10-9-19-13-18-8-7-17-5-3-4-6-20(17)23(18)14-24(19)21/h3-14,25-26H,1-2H3/t25-,26-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI: InChI=1S/C20H23ClN2O4S/c1-12-6-2-4-8-14(12)23-16(24)11-27-17(25)10-22-20(26)19-18(21)13-7-3-5-9-15(13)28-19/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,22,26)(H,23,24)/t12-,14-/m0/s1
SMILES: C[C@]12CC[C@@](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=CN=C5)C)(COC)O
InChI: InChI=1S/C26H40N2O3/c1-24-10-11-26(30,16-31-3)14-18(24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)24)23(29)15-28-13-12-27-17-28/h12-13,17-22,30H,4-11,14-16H2,1-3H3/t18-,19-,20-,21-,22+,24-,25-,26+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]([C@@](NC(=O)N2)(C(F)(F)Cl)O)C(=O)OC
InChI: InChI=1S/C14H15ClF2N2O5/c1-23-8-5-3-7(4-6-8)10-9(11(20)24-2)13(22,14(15,16)17)19-12(21)18-10/h3-6,9-10,22H,1-2H3,(H2,18,19,21)/t9-,10+,13-/m0/s1
SMILES: CCSC([C@@H]([C@H]1[C@H](C[C@H]([C@@]1(COC(=O)C2=CC=CC=C2)O)COC(=O)C)COC(=O)C)O)SCC
InChI: InChI=1S/C25H36O8S2/c1-5-34-24(35-6-2)22(28)21-19(13-31-16(3)26)12-20(14-32-17(4)27)25(21,30)15-33-23(29)18-10-8-7-9-11-18/h7-11,19-22,24,28,30H,5-6,12-15H2,1-4H3/t19-,20+,21-,22-,25-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=C(S2)CCCCC3
InChI: InChI=1S/C20H29NO3S/c1-13-7-6-9-16(14(13)2)21-19(22)12-24-20(23)18-11-15-8-4-3-5-10-17(15)25-18/h11,13-14,16H,3-10,12H2,1-2H3,(H,21,22)/t13-,14-,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC45CC6CC(C4)CC(C6)C5)CN(C7=C(C(=O)CC[C@]37C)Br)C
InChI: InChI=1S/C30H43BrN2O2/c1-28-8-6-22-20(16-33(3)26-25(31)24(34)7-9-29(22,26)2)21(28)4-5-23(28)27(35)32-30-13-17-10-18(14-30)12-19(11-17)15-30/h17-23H,4-16H2,1-3H3,(H,32,35)/t17?,18?,19?,20-,21-,22-,23+,28-,29+,30?/m0/s1
SMILES: C1C=C2[C@H]3[C@@H]1C(=NN3C4=CC=CC=C4C2(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C31H24N2/c1-4-12-22(13-5-1)29-25-20-21-27-30(25)33(32-29)28-19-11-10-18-26(28)31(27,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,21,25,30H,20H2/t25-,30+/m0/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@](C=C2C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)O
InChI: InChI=1S/C24H36O6/c1-5-14(2)23(27)30-20-13-24(4,28)12-16-7-6-15(3)19(22(16)20)9-8-18-10-17(25)11-21(26)29-18/h6-7,12,14-15,17-20,22,25,28H,5,8-11,13H2,1-4H3/t14-,15-,17+,18+,19-,20-,22?,24+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC=C(C=C5)OCCO)C(=O)C=C(C4=O)C
InChI: InChI=1S/C27H27NO6/c1-3-28-26(32)18-9-8-17-19(23(18)27(28)33)13-20-24(21(30)12-14(2)25(20)31)22(17)15-4-6-16(7-5-15)34-11-10-29/h4-8,12,18-19,22-23,29H,3,9-11,13H2,1-2H3/t18-,19+,22-,23-/m0/s1
SMILES: CC(=O)[C@@]12[C@@H](O1)C[C@@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
SMILES: C[C@@H]1C(=C(C[C@@]1(C)O)C[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C
InChI: InChI=1S/C25H34OSi/c1-19-20(2)25(6,26)17-21(19)18-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20,26H,17-18H2,1-6H3/t20-,25-/m1/s1
SMILES: C1=CC(=CC(=C1)O)N2C(=O)[C@@H]3[C@@H](C2=O)C4C=CC3[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC(=CC=C6)O
InChI: InChI=1S/C24H18N2O6/c27-13-5-1-3-11(9-13)25-21(29)17-15-7-8-16(18(17)22(25)30)20-19(15)23(31)26(24(20)32)12-4-2-6-14(28)10-12/h1-10,15-20,27-28H/t15?,16?,17-,18-,19-,20+/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@H](C[P@]1(=[Se])C2=CC=CC=C2)C)O
InChI: InChI=1S/C13H19OPSe/c1-10-9-15(16,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13-,15-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)C
InChI: InChI=1S/C20H23N3O5S/c1-12-3-5-14(6-4-12)21-20-22-15(11-29-20)10-28-19(25)8-16-17(9-23(26)27)13(2)7-18(16)24/h3-6,11,13,16-17H,7-10H2,1-2H3,(H,21,22)/t13-,16+,17-/m1/s1
SMILES: CC(C)OC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)O
InChI: InChI=1S/C40H50N4O8/c1-10-25-21-40(25,36(47)48)43-34(45)31-19-27(22-44(31)35(46)33(38(4,5)6)42-37(49)52-39(7,8)9)51-32-20-29(24-14-12-11-13-15-24)41-30-18-26(50-23(2)3)16-17-28(30)32/h10-18,20,23,25,27,31,33H,1,19,21-22H2,2-9H3,(H,42,49)(H,43,45)(H,47,48)/t25-,27-,31+,33-,40-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)[C@H]1CC(=O)C[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C22H45O3Si2.3C4H9.Sn/c1-16(2)27(17(3)4,18(5)6)25-21-14-19(23)12-13-20(15-21)24-26(10,11)22(7,8)9;3*1-3-4-2;/h13,16-18,20-21H,12,14-15H2,1-11H3;3*1,3-4H2,2H3;/t20-,21+;;;;/m1..../s1
SMILES: CC1([C@@H]2COC3=CC=CC=C3[C@H]2C4=C(O1)N(C(=O)N(C4=O)C)C)C
InChI: InChI=1S/C18H20N2O4/c1-18(2)11-9-23-12-8-6-5-7-10(12)13(11)14-15(21)19(3)17(22)20(4)16(14)24-18/h5-8,11,13H,9H2,1-4H3/t11-,13-/m1/s1
SMILES: CC1CC[C@@]2(CCC3(C(=CCC4[C@]3(CCC5[C@@]4(CC(C(C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17?,19?,20?,21?,22-,23?,26+,27?,28-,29-,30+/m1/s1
SMILES: C[C@@H]1CCC2(C(C3C(O2)CC4[C@@]3([C@@H](CC5C4CCC6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1
InChI: InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16?,17?,18+,19?,20?,21?,22?,23-,24?,25+,26-,27?/m1/s1
SMILES: C[C@]1([C@@H](N=C(N1)CCC2=CC=CC=C2)C3=CC(=CC=C3)F)C4=CC(=CC=C4)F
InChI: InChI=1S/C24H22F2N2/c1-24(19-10-6-12-21(26)16-19)23(18-9-5-11-20(25)15-18)27-22(28-24)14-13-17-7-3-2-4-8-17/h2-12,15-16,23H,13-14H2,1H3,(H,27,28)/t23-,24+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[Si](C)(C)C(C)(C)C)(CCCOS(=O)(=O)C)O
InChI: InChI=1S/C41H54N2O11SSi/c1-28-26-43(38(45)42-36(28)44)37-40(46,24-13-25-52-55(7,47)48)35(54-56(8,9)39(2,3)4)34(53-37)27-51-41(29-14-11-10-12-15-29,30-16-20-32(49-5)21-17-30)31-18-22-33(50-6)23-19-31/h10-12,14-23,26,34-35,37,46H,13,24-25,27H2,1-9H3,(H,42,44,45)/t34-,35-,37-,40-/m1/s1
SMILES: [13CH3]/C/1=[13CH]\C[C@]2([13C@H](C/[13CH]=C(/[13C@H](C[13CH2]/C(=[13CH]/C[13CH2]1)/[13CH3])O)\[13CH3])[13C](=C([13C]2=O)O)[C@H]([13CH3])[13CH2]O)[13CH3]
InChI: InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7+,17-13+,18-10+/t19-,20-,21+,25+/m1/s1/i1+1,2+1,3+1,4+1,5+1,7+1,8+1,9+1,10+1,13+1,15+1,20+1,21+1,22+1,24+1
SMILES: CCCC1=C([C@@H](C2=C(N1)C[C@H]([C@@H](C2=O)C(=O)OCC)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCC
InChI: InChI=1S/C29H31NO7S/c1-4-8-18-26(29(33)35-6-3)23(16-10-11-20-21(13-16)37-15-36-20)25-19(30-18)14-17(22-9-7-12-38-22)24(27(25)31)28(32)34-5-2/h7,9-13,17,23-24,30H,4-6,8,14-15H2,1-3H3/t17-,23+,24-/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCC[NH+]2CC(=O)NC3=C(C4=C(S3)CCC4)C#N
InChI: InChI=1S/C19H25N3OS/c20-11-15-14-7-3-9-17(14)24-19(15)21-18(23)12-22-10-4-6-13-5-1-2-8-16(13)22/h13,16H,1-10,12H2,(H,21,23)/p+1/t13-,16-/m1/s1
SMILES: CC(=O)O[C@@H]1CCCC[C@@]1(C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C20H24N2O6/c1-13(23)28-17-9-5-6-11-20(17,19(24)27-2)18-15(10-12-22(25)26)14-7-3-4-8-16(14)21-18/h3-4,7-8,17,21H,5-6,9-12H2,1-2H3/t17-,20-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C(=C/[C@H]1[C@@H](OC(O1)(C)C)C[C@H](C)OC(=O)C2=CC=CC=C2)/C
InChI: InChI=1S/C18H23O4.3C4H9.Sn/c1-5-9-15-16(22-18(3,4)21-15)12-13(2)20-17(19)14-10-7-6-8-11-14;3*1-3-4-2;/h6-11,13,15-16H,12H2,1-4H3;3*1,3-4H2,2H3;/t13-,15-,16-;;;;/m0..../s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C29H22N2O4/c1-17(32)18-11-13-21(14-12-18)31-28(34)23-24(29(31)35)26(27(33)20-8-3-2-4-9-20)30-16-15-19-7-5-6-10-22(19)25(23)30/h2-16,23-26H,1H3/t23-,24+,25+,26-/m0/s1
SMILES: CC1(C(=O)N2CC[C@@H]([C@H]2C(=O)N1)NC(=O)C3=CC=C(C=C3)OC)C
InChI: InChI=1S/C17H21N3O4/c1-17(2)16(23)20-9-8-12(13(20)15(22)19-17)18-14(21)10-4-6-11(24-3)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,18,21)(H,19,22)/t12-,13-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@H]3[C@@H]2C[C@H](C3)O)(C)C
InChI: InChI=1S/C16H28O/c1-15(2)7-4-8-16(3)13-10-12(17)9-11(13)5-6-14(15)16/h11-14,17H,4-10H2,1-3H3/t11-,12+,13+,14+,16-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)N/N=C\2/C[C@H]3[C@H]2C=CC3
InChI: InChI=1S/C18H23N3O/c1-3-21(4-2)15-10-8-13(9-11-15)18(22)20-19-17-12-14-6-5-7-16(14)17/h5,7-11,14,16H,3-4,6,12H2,1-2H3,(H,20,22)/b19-17-/t14-,16+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@H]2[C@H]1C(CC=C2)C(=[Cr])OC
InChI: InChI=1S/C18H32O2Si.Cr/c1-18(2,3)21(5,6)20-16-12-8-10-14-9-7-11-15(13-19-4)17(14)16;/h7,9,14-17H,8,10-12H2,1-6H3;/t14-,15?,16-,17-;/m0./s1
SMILES: COCO[C@]1([C@H]([C@@H](C=C1Br)OC2=C(N=CC=C2)Cl)O)CC#C
InChI: InChI=1S/C15H15BrClNO4/c1-3-6-15(21-9-20-2)12(16)8-11(13(15)19)22-10-5-4-7-18-14(10)17/h1,4-5,7-8,11,13,19H,6,9H2,2H3/t11-,13+,15-/m1/s1
SMILES: C1=CC(=C2C(=C1Br)C=C3[C@H]([C@H]4[C@@H](C3=N2)[C@@H](C5=CC6=C(C=CC(=C6N=C45)Br)Br)Br)Br)Br
InChI: InChI=1S/C22H10Br6N2/c23-11-1-3-13(25)19-7(11)5-9-17(27)15-16(21(9)29-19)18(28)10-6-8-12(24)2-4-14(26)20(8)30-22(10)15/h1-6,15-18H/t15-,16-,17-,18-/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(CC5=CC=CC6=CC=CC=C65)C(=O)CCC7CCCC7)OCC=C
InChI: InChI=1S/C63H91N3O8/c1-6-8-9-10-11-12-13-14-15-22-38-64-61(70)72-50-35-36-56-54(43-50)59-52(33-21-24-40-68)48(29-20-23-39-67)42-53-55(65-74-62(3,4)5)44-57(63(73-56,60(53)59)71-41-7-2)66(58(69)37-34-46-26-16-17-27-46)45-49-31-25-30-47-28-18-19-32-51(47)49/h7,18-19,25,28,30-32,35-36,42-43,46,48,52,57,59-60,67-68H,2,6,8-17,20-24,26-27,29,33-34,37-41,44-45H2,1,3-5H3,(H,64,70)/t48-,52+,57-,59+,60+,63+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=NC4=C(C3=O)N=C(N4[C@H]5[C@H]6[C@@H]([C@H](O5)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)OC(O6)(C)C)Br)COP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1)C
InChI: InChI=1S/C54H54BrN4O10PS2/c1-52(2)66-44-34(31-64-70(61,71-39-22-14-8-15-23-39)72-40-24-16-9-17-25-40)30-41(45(44)67-52)58-33-56-48-43(49(58)60)57-51(55)59(48)50-47-46(68-53(3,4)69-47)42(65-50)32-63-54(35-18-10-6-11-19-35,36-20-12-7-13-21-36)37-26-28-38(62-5)29-27-37/h6-29,33-34,41-42,44-47,50H,30-32H2,1-5H3/t34-,41-,42-,44-,45+,46-,47-,50-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=CC=N3
InChI: InChI=1S/C18H24N4O3/c1-13-6-2-4-9-18(13)16(24)22(17(25)21-18)12-15(23)20-11-8-14-7-3-5-10-19-14/h3,5,7,10,13H,2,4,6,8-9,11-12H2,1H3,(H,20,23)(H,21,25)/t13-,18-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)OC2=C(C=CC=C2OC)C3=C(C(=CC=C3)OC)OC(=O)O[C@@H]4C[C@@H](CC[C@H]4C(C)C)C)C(C)C
InChI: InChI=1S/C36H50O8/c1-21(2)25-17-15-23(5)19-31(25)41-35(37)43-33-27(11-9-13-29(33)39-7)28-12-10-14-30(40-8)34(28)44-36(38)42-32-20-24(6)16-18-26(32)22(3)4/h9-14,21-26,31-32H,15-20H2,1-8H3/t23-,24-,25+,26+,31-,32-/m1/s1
SMILES: C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)[C@@H]3C[C@H]3C(=O)O
InChI: InChI=1S/C15H16Cl2N2O3/c16-12-2-1-9(7-13(12)17)18-3-5-19(6-4-18)14(20)10-8-11(10)15(21)22/h1-2,7,10-11H,3-6,8H2,(H,21,22)/t10-,11-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2[C@@H]3[C@H]2CC/C=C\CC/C=C\CC3
InChI: InChI=1S/C22H29NO/c1-16-13-14-17(2)20(15-16)23-22(24)21-18-11-9-7-5-3-4-6-8-10-12-19(18)21/h5-8,13-15,18-19,21H,3-4,9-12H2,1-2H3,(H,23,24)/b7-5-,8-6-/t18-,19+,21?
SMILES: COC(=O)C1C=CC2=C(C=C1)[C@H]([C@@H]3[C@H]([C@H]2O)C3C(=O)OC)O
InChI: InChI=1S/C16H18O6/c1-21-15(19)7-3-5-8-9(6-4-7)14(18)11-10(13(8)17)12(11)16(20)22-2/h3-7,10-14,17-18H,1-2H3/t7?,10-,11+,12?,13-,14+
SMILES: C[C@H]1C/C=C/CC2=C(C(=CC=C2)OC)C(=O)O[C@H](C[C@H]1OCOC)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H44O6Si/c1-20-12-9-10-13-21-14-11-15-23(30-6)25(21)26(28)33-22(18-24(20)31-19-29-5)16-17-32-34(7,8)27(2,3)4/h9-11,14-15,20,22,24H,12-13,16-19H2,1-8H3/b10-9+/t20-,22-,24+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)C[C@@H](CO)O)O)C(=C5)C(=O)C7=CC(=C(C=C7)F)F)O)C
InChI: InChI=1S/C41H51F2NO7/c1-37-12-9-27(46)19-39(37)15-16-41(30(20-39)36(48)25-6-8-31(42)32(43)17-25)34(37)10-13-38(2)35(41)11-14-40(38,49)24-44(22-28(47)23-45)21-26-5-7-29(50-3)18-33(26)51-4/h5-8,15-18,20,27-28,34-35,45-47,49H,9-14,19,21-24H2,1-4H3/t27?,28-,34+,35+,37+,38-,39-,40+,41+/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C28H28BrNO5/c1-12-8-14(9-13(2)24(12)32)21-15-6-7-16-22(27(35)30(26(16)34)28(3,4)5)17(15)10-18-23(21)20(31)11-19(29)25(18)33/h6,8-9,11,16-17,21-22,32H,7,10H2,1-5H3/t16-,17+,21-,22-/m0/s1
SMILES: C[C@H]1C[C@H]([C@H]([C@@H](/C=C(/[C@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17-,22-,23-,24+,26-/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)OC5=CC(=C(C=C5)C)C)CCCCO)CCCCO)OCC=C)N(C)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C47H57N3O9/c1-6-26-56-47-43(49(5)44(53)23-17-33-15-18-35(19-16-33)50(54)55)30-41(48-57-7-2)39-28-34(12-8-10-24-51)38(13-9-11-25-52)45(46(39)47)40-29-37(21-22-42(40)59-47)58-36-20-14-31(3)32(4)27-36/h6,14-23,27-29,34,38,43,45-46,51-52H,1,7-13,24-26,30H2,2-5H3/t34-,38+,43-,45+,46+,47+/m0/s1
SMILES: C[NH+](C)C[C@H]1CCCC[C@@H]1[C@@]2(C3=CC=CC=C3CSC4=CC=CC=C42)O
InChI: InChI=1S/C23H29NOS/c1-24(2)15-17-9-3-5-11-19(17)23(25)20-12-6-4-10-18(20)16-26-22-14-8-7-13-21(22)23/h4,6-8,10,12-14,17,19,25H,3,5,9,11,15-16H2,1-2H3/p+1/t17-,19+,23+/m1/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)O
InChI: InChI=1S/C27H48O2Si/c1-18(28)22-11-12-23-21-10-9-19-17-20(29-30(7,8)25(2,3)4)13-15-26(19,5)24(21)14-16-27(22,23)6/h9,18,20-24,28H,10-17H2,1-8H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILES: C[C@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=CC(=CC(=C4)C)C
InChI: InChI=1S/C24H24N2O3/c1-14-11-15(2)13-17(12-14)25-22(27)18-8-4-5-10-20(18)26-23(28)19-9-6-7-16(3)21(19)24(26)29/h4-8,10-13,16,19,21H,9H2,1-3H3,(H,25,27)/t16-,19+,21+/m0/s1
SMILES: C1[C@@H]2[C@H](C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCNC3=NC(=O)N(N=C3)[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)N2
InChI: InChI=1S/C28H49N8O17P3S/c37-21(9-2-1-5-12-30-22(38)10-4-3-8-19-23-17(16-57-19)33-27(41)35-23)31-13-7-6-11-29-20-14-32-36(28(42)34-20)26-25(40)24(39)18(51-26)15-50-55(46,47)53-56(48,49)52-54(43,44)45/h14,17-19,23-26,39-40H,1-13,15-16H2,(H,30,38)(H,31,37)(H,46,47)(H,48,49)(H,29,34,42)(H2,33,35,41)(H2,43,44,45)/t17-,18-,19?,23-,24-,25-,26+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C(=C7)C)O)C)C(=O)N(C5=O)C8=CC(=C(C(=C8)[N+](=O)[O-])N(C)C)[N+](=O)[O-]
InChI: InChI=1S/C43H40N6O9/c1-22-11-13-27(14-12-22)44-47-40(52)32-21-31-29(36(25-17-23(2)38(50)24(3)18-25)43(32,42(47)54)26-9-7-6-8-10-26)15-16-30-35(31)41(53)46(39(30)51)28-19-33(48(55)56)37(45(4)5)34(20-28)49(57)58/h6-15,17-20,30-32,35-36,44,50H,16,21H2,1-5H3/t30-,31+,32-,35-,36-,43+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC(=O)[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChI: InChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)28-18-17(16-25)27-21(26)20(30-33(14,15)24(7,8)9)19(18)29-32(12,13)23(4,5)6/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C15H14ClNO2/c16-10-3-1-2-4-11(10)17-14(18)12-8-5-6-9(7-8)13(12)15(17)19/h1-4,8-9,12-13H,5-7H2/t8-,9+,12-,13-/m0/s1
SMILES: CC1=C[C@H]2[C@H](C[C@@H](C[C@H]2[C@H](C)C(=O)N(C)C3=CC=CC=C3S)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)[C@@H](C1)[C@H](COS(=O)(=O)C)C(C)C
InChI: InChI=1S/C43H59NO5S2Si/c1-29(2)39(28-48-51(9,46)47)37-25-30(3)24-36-35(31(4)42(45)44(8)40-22-16-17-23-41(40)50)26-32(27-38(36)37)49-52(43(5,6)7,33-18-12-10-13-19-33)34-20-14-11-15-21-34/h10-24,29,31-32,35-39,50H,25-28H2,1-9H3/t31-,32+,35-,36+,37+,38-,39+/m0/s1
SMILES: CCOP(=O)([C@H](C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)Br)OCC
InChI: InChI=1S/C46H50BrO10P/c1-3-54-58(49,55-4-2)41(57-45(48)38-25-27-39(47)28-26-38)29-40-42(50-30-34-17-9-5-10-18-34)43(51-31-35-19-11-6-12-20-35)44(52-32-36-21-13-7-14-22-36)46(56-40)53-33-37-23-15-8-16-24-37/h5-28,40-44,46H,3-4,29-33H2,1-2H3/t40-,41-,42-,43+,44-,46-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C54
InChI: InChI=1S/C23H22N2O4/c26-21(11-12-25-22(27)16-6-1-2-7-17(16)23(25)28)24-14-9-10-20-18(13-14)15-5-3-4-8-19(15)29-20/h3-5,8-10,13,16-17H,1-2,6-7,11-12H2,(H,24,26)/t16-,17-/m1/s1
SMILES: C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4
InChI: InChI=1S/C23H35N3O/c1-22(2)19-9-10-20(15-19)23(22,3)24-21(27)17-26-13-11-25(12-14-26)16-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3,(H,24,27)/t19-,20+,23-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](C=C([C@H]2O1)CCO[Si](C)(C)C(C)(C)C)N3C=NC4=C3N=C(N=C4Cl)N)C
InChI: InChI=1S/C21H32ClN5O3Si/c1-20(2,3)31(6,7)28-9-8-12-10-13(16-15(12)29-21(4,5)30-16)27-11-24-14-17(22)25-19(23)26-18(14)27/h10-11,13,15-16H,8-9H2,1-7H3,(H2,23,25,26)/t13-,15-,16+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)[C@@H]2COC3=CC=CC=C3O2
InChI: InChI=1S/C19H25NO5/c1-12-7-3-4-8-14(12)20-18(21)13(2)24-19(22)17-11-23-15-9-5-6-10-16(15)25-17/h5-6,9-10,12-14,17H,3-4,7-8,11H2,1-2H3,(H,20,21)/t12-,13+,14+,17-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=C(C=C(C=C1)OC)OC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H25NO7/c1-12(22-19(24)14-6-4-5-7-15(14)20(22)25)21(26)29-11-17(23)16-9-8-13(27-2)10-18(16)28-3/h8-10,12,14-15H,4-7,11H2,1-3H3/t12-,14-,15-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC(=C4)C
InChI: InChI=1S/C22H23NO3/c1-14-4-3-5-18(12-14)26-17-9-7-16(8-10-17)23-21(24)19-11-6-15(2)13-20(19)22(23)25/h3-5,7-10,12,15,19-20H,6,11,13H2,1-2H3/t15-,19-,20+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=C(C=C(C=C2)C)C)C(C)C
InChI: InChI=1S/C21H30O4/c1-13(2)17-8-6-15(4)11-19(17)25-20(22)12-24-21(23)18-9-7-14(3)10-16(18)5/h7,9-10,13,15,17,19H,6,8,11-12H2,1-5H3/t15-,17+,19-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C3C[C@H]([C@H](C4=C3C2=CC=C4)CC(C)COS(=O)(=O)C5=CC=C(C=C5)C)N(C)C(=O)OC(C)(C)C
InChI: InChI=1S/C35H42N2O7S2/c1-23-11-15-27(16-12-23)45(39,40)37-21-26-20-32(36(7)34(38)44-35(4,5)6)30(29-9-8-10-31(37)33(26)29)19-25(3)22-43-46(41,42)28-17-13-24(2)14-18-28/h8-18,21,25,30,32H,19-20,22H2,1-7H3/t25?,30-,32+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C15H16ClF3N2O4/c1-3-25-12(22)10-11(8-4-6-9(16)7-5-8)20-13(23)21(2)14(10,24)15(17,18)19/h4-7,10-11,24H,3H2,1-2H3,(H,20,23)/t10-,11-,14+/m0/s1
SMILES: C1CCC2(CC1)O[C@H]3[C@@H]([C@H]([C@H]4[C@@H]([C@@H]3O2)OC5(O4)CCCCC5)O)O
InChI: InChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13+,14+,15-,16+/m1/s1
SMILES: CCCN(CC1[C@H]2[C@@H]1CN(C2)C(=O)N3CCOCC3)C4CCC5=CC=CC=C5C4
InChI: InChI=1S/C24H35N3O2/c1-2-9-26(20-8-7-18-5-3-4-6-19(18)14-20)15-21-22-16-27(17-23(21)22)24(28)25-10-12-29-13-11-25/h3-6,20-23H,2,7-17H2,1H3/t20?,21?,22-,23+
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)CCC(=O)O)O
InChI: InChI=1S/C32H32N2O8/c1-3-42-24-15-17(9-12-23(24)35)27-19-10-11-20-26(30(40)33(28(20)38)14-13-25(36)37)21(19)16-22-29(39)34(31(41)32(22,27)2)18-7-5-4-6-8-18/h4-10,12,15,20-22,26-27,35H,3,11,13-14,16H2,1-2H3,(H,36,37)/t20-,21+,22-,26-,27-,32+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@H]1OCC=C)OC
InChI: InChI=1S/C19H24O7/c1-4-10-22-19-17(24-12(2)20)16(21-3)15-14(25-19)11-23-18(26-15)13-8-6-5-7-9-13/h4-9,14-19H,1,10-11H2,2-3H3/t14-,15-,16-,17+,18-,19+/m1/s1
SMILES: CCOC(=O)[C@H]\1[C@@H](NC(=O)N/C1=C/N2C[C@@H](C[C@@H](C2)C)C)C3=CC=CC=C3
InChI: InChI=1S/C21H29N3O3/c1-4-27-20(25)18-17(13-24-11-14(2)10-15(3)12-24)22-21(26)23-19(18)16-8-6-5-7-9-16/h5-9,13-15,18-19H,4,10-12H2,1-3H3,(H2,22,23,26)/b17-13+/t14-,15+,18-,19+/m1/s1
SMILES: CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C.CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O
InChI: InChI=1S/C16H25NO2.C12H21NO8S/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;7-9H,5-6H2,1-4H3,(H2,13,14,15)/t14-,16+;7-,8-,9+,12+/m11/s1
SMILES: CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4=CC=CC=C4CC)O2
InChI: InChI=1S/C20H23NO4/c1-3-11-24-19(23)16-15-9-10-20(25-15)12-21(18(22)17(16)20)14-8-6-5-7-13(14)4-2/h5-10,15-17H,3-4,11-12H2,1-2H3/t15-,16-,17+,20-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCCC(=O)OC)O)(C[C@H]([C@H](C2(C)C)O)O)C
InChI: InChI=1S/C28H39NO7/c1-15-8-9-21-26(2,3)24(33)20(31)13-27(21,4)28(15)12-17-19(30)11-16-18(23(17)36-28)14-29(25(16)34)10-6-7-22(32)35-5/h11,15,20-21,24,30-31,33H,6-10,12-14H2,1-5H3/t15-,20-,21+,24-,27+,28-/m1/s1
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC5=C(C=C4)N(N=C5)COCC[Si](C)(C)C)CC6=CC(=CC=C6)NCC7=NC8=CC=CC=C8N7)CC9=CC=CC=C9)C
InChI: InChI=1S/C51H59N7O4Si/c1-51(2)61-48-45(29-36-15-8-6-9-16-36)56(33-38-19-14-20-41(28-38)52-32-47-54-42-21-12-13-22-43(42)55-47)50(59)57(46(49(48)62-51)30-37-17-10-7-11-18-37)34-39-23-24-44-40(27-39)31-53-58(44)35-60-25-26-63(3,4)5/h6-24,27-28,31,45-46,48-49,52H,25-26,29-30,32-35H2,1-5H3,(H,54,55)/t45-,46-,48+,49+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(COC(=O)NC6=CC=CC=C6)O)N)O
InChI: InChI=1S/C32H32N2O10/c1-15-26(35)20(33)11-22(43-15)44-21-13-32(41,14-42-31(40)34-16-7-3-2-4-8-16)12-19-23(21)30(39)25-24(29(19)38)27(36)17-9-5-6-10-18(17)28(25)37/h2-10,15,20-22,26,35,38-39,41H,11-14,33H2,1H3,(H,34,40)/t15-,20-,21-,22-,26+,32-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C31H37NO6/c1-30(2,3)38-29(36)32-25-19-21(26(33)28(35)27(25)34)20-37-31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25-28,33-35H,19-20H2,1-3H3,(H,32,36)/t21-,25+,26-,27+,28+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O
InChI: InChI=1S/C28H54O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)34-25(22-29)28-27(32)24(30)23-33-28/h24-25,27-30,32H,2-23H2,1H3/t24-,25+,27+,28?/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=CC=C3C)(CO)C(=O)OC
InChI: InChI=1S/C18H22N2O5/c1-4-20-15(22)12-13(16(20)23)18(9-21,17(24)25-3)19-14(12)11-8-6-5-7-10(11)2/h5-8,12-14,19,21H,4,9H2,1-3H3/p+1/t12-,13-,14+,18+/m0/s1
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(C)O)(C)CO)O
InChI: InChI=1S/C20H34O3/c1-17(12-21)15-5-4-13-10-14-11-20(13,9-8-19(14,3)23)18(15,2)7-6-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,17-,18-,19+,20-/m0/s1
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)O)NC(=O)C4=NC5=CC=CC=C5N=C4
InChI: InChI=1S/C38H52N6O4/c1-24(2)34(42-35(46)31-21-39-28-17-11-12-18-29(28)40-31)37(48)41-30(19-25-13-7-6-8-14-25)33(45)23-44-22-27-16-10-9-15-26(27)20-32(44)36(47)43-38(3,4)5/h6-8,11-14,17-18,21,24,26-27,30,32-34,45H,9-10,15-16,19-20,22-23H2,1-5H3,(H,41,48)(H,42,46)(H,43,47)/t26-,27+,30-,32-,33+,34-/m0/s1