EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]5([C@H]3OC(=O)O5)C4(C)C)O)C)O[Si](CC)(CC)CC)C)O
InChI: InChI=1S/C33H56O9Si2/c1-11-43(12-2,13-3)41-22-17-23-32(37,19-38-23)26-28-33(40-29(36)39-28)18-21(34)20(7)24(30(33,8)9)25(27(35)31(22,26)10)42-44(14-4,15-5)16-6/h21-23,25-26,28,34,37H,11-19H2,1-10H3/t21-,22-,23+,25+,26-,28-,31+,32-,33+/m0/s1
SMILES: C1=CC=C2C(=C1)[C@H]([C@@H]3[C@@](C3(Cl)Cl)(O2)C4=CC=CS4)C5=CC=C(C=C5)F
InChI: InChI=1S/C20H13Cl2FOS/c21-20(22)18-17(12-7-9-13(23)10-8-12)14-4-1-2-5-15(14)24-19(18,20)16-6-3-11-25-16/h1-11,17-18H/t17-,18-,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N=[N+]=[N-]
InChI: InChI=1S/C22H26N4O3Si/c1-22(2,3)30(4,5)29-19-18(15-11-13-17(14-12-15)24-25-23)26(21(19)28)20(27)16-9-7-6-8-10-16/h6-14,18-19H,1-5H3/t18-,19+/m0/s1
SMILES: CC1=C(C(=O)N(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C)C6(CCCO6)C
InChI: InChI=1S/C37H36N2O10/c1-23-28(37(2)20-13-21-46-37)31(40)38(3)36(44)39(23)32-30(49-35(43)26-18-11-6-12-19-26)29(48-34(42)25-16-9-5-10-17-25)27(47-32)22-45-33(41)24-14-7-4-8-15-24/h4-12,14-19,27,29-30,32H,13,20-22H2,1-3H3/t27-,29-,30-,32-,37?/m1/s1
SMILES: CCCCCC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\OC(=O)C)/CC[C@H]34)C)C#C
InChI: InChI=1S/C28H39NO4/c1-5-7-8-9-26(31)32-28(6-2)17-15-25-24-12-10-20-18-21(29-33-19(3)30)11-13-22(20)23(24)14-16-27(25,28)4/h2,18,22-25H,5,7-17H2,1,3-4H3/b29-21-/t22-,23+,24+,25-,27-,28?/m0/s1
SMILES: C[C@H](/C=C/C(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]2([C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-27(22,6)14-12-24-26(5)13-11-21(29)15-20(26)16-25(30)28(23,24)31/h7-8,16-19,21-25,29-31H,9-15H2,1-6H3/b8-7+/t18?,19-,21+,22-,23-,24-,25+,26+,27-,28-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=C(C=C7)O)Cl)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C48H38Cl2FN3O7/c1-60-34-18-22-41(61-2)27(23-34)6-3-26-4-15-32(16-5-26)53-44(56)37-21-20-35-38(42(37)46(53)58)25-39-45(57)54(52-31-13-11-30(51)12-14-31)47(59)48(39,28-7-9-29(49)10-8-28)43(35)36-19-17-33(55)24-40(36)50/h3-20,22-24,37-39,42-43,52,55H,21,25H2,1-2H3/t37-,38+,39-,42-,43+,48+/m0/s1
SMILES: CC([C@@]1([C@H](C[C@@H]2[C@@](O1)(C[C@H]([C@](O2)(C)CCOCC3=CC=CC=C3)OCC4=CC=CC=C4)C)O[Si](C)(C)C(C)(C)C)C)O
InChI: InChI=1S/C35H54O6Si/c1-26(36)35(7)30(40-42(8,9)32(2,3)4)22-29-34(6,41-35)23-31(38-25-28-18-14-11-15-19-28)33(5,39-29)20-21-37-24-27-16-12-10-13-17-27/h10-19,26,29-31,36H,20-25H2,1-9H3/t26?,29-,30+,31-,33+,34+,35-/m1/s1
SMILES: C1=CN(C2=C1C(=NC(=N2)N)S(=O)(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H15N5O6S/c12-11-14-8-4(9(15-11)23(13,20)21)1-2-16(8)10-7(19)6(18)5(3-17)22-10/h1-2,5-7,10,17-19H,3H2,(H2,12,14,15)(H2,13,20,21)/t5-,6-,7-,10-/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)C)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O
InChI: InChI=1S/C33H38N4O5/c1-21-30(19-36-16-14-27(15-17-36)37-29-9-4-3-8-28(29)35-33(37)40)41-32(25-6-5-7-26(18-25)34-22(2)39)42-31(21)24-12-10-23(20-38)11-13-24/h3-13,18,21,27,30-32,38H,14-17,19-20H2,1-2H3,(H,34,39)(H,35,40)/t21-,30+,31+,32+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCCC3=C(C=C(C=C3C)C(C)(C)C)C
InChI: InChI=1S/C25H37N3O3/c1-16-13-19(24(4,5)6)14-17(2)20(16)10-12-26-21(29)15-28-22(30)25(27-23(28)31)11-8-7-9-18(25)3/h13-14,18H,7-12,15H2,1-6H3,(H,26,29)(H,27,31)/t18-,25+/m1/s1
SMILES: CCC(C)CC/C=C/C=C(\C)/C(C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(CO2)C=C(C=C3O)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)/C=C/C=C/C=C/C)O)O)O)O
InChI: InChI=1S/C45H60O16/c1-5-7-8-9-15-20-35(50)56-26-34-38(52)39(53)40(54)44(58-34)60-41-33(24-46)61-45(37-29(25-57-45)22-30(47)23-32(37)49)43(55)42(41)59-36(51)21-16-11-14-19-31(48)28(4)18-13-10-12-17-27(3)6-2/h5,7-11,13-16,18,20-23,27,31,33-34,38-44,46-49,52-55H,6,12,17,19,24-26H2,1-4H3/b7-5+,9-8+,13-10+,14-11+,20-15+,21-16+,28-18+/t27?,31?,33-,34-,38+,39+,40-,41-,42+,43-,44+,45+/m1/s1
SMILES: CN1CC[C@@H]([C@@H](C1)CSCC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)CN=CC2=CC=C(C=C2)C3N=C4C=CC=C[N+]4=N3)O
InChI: InChI=1S/C20H23N4O/c25-18-6-2-1-5-17(18)14-21-13-15-8-10-16(11-9-15)20-22-19-7-3-4-12-24(19)23-20/h3-4,7-13,17-18,20,25H,1-2,5-6,14H2/q+1/t17-,18+,20?/m0/s1
SMILES: C[C@H]1C/C=C(\O[C@@H]2CO[C@H](O[C@H]2C1)C3=CC=CC=C3)/C[C@@H]4[C@H]([C@@H](C[C@H]([C@@H](O4)CCOCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C52H68O8Si/c1-38-27-28-43(57-49-37-56-51(59-46(49)31-38)42-25-17-10-18-26-42)32-48-50(60-61(5,6)52(2,3)4)47(55-36-41-23-15-9-16-24-41)33-45(54-35-40-21-13-8-14-22-40)44(58-48)29-30-53-34-39-19-11-7-12-20-39/h7-26,28,38,44-51H,27,29-37H2,1-6H3/b43-28-/t38-,44-,45+,46-,47+,48+,49+,50-,51+/m0/s1
SMILES: CCC(C)[C@@H](C(=O)NC[C@H]1[C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)NC=O
InChI: InChI=1S/C32H38N6O6/c1-3-19(2)28(35-18-39)32(43)34-17-26-29(44-26)24(15-20-9-5-4-6-10-20)37-31(42)25(16-27(33)40)38-30(41)23-14-13-21-11-7-8-12-22(21)36-23/h4-14,18-19,24-26,28-29H,3,15-17H2,1-2H3,(H2,33,40)(H,34,43)(H,35,39)(H,37,42)(H,38,41)/t19?,24-,25?,26-,28-,29+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C21H28N2O4S/c1-15(24)17-4-6-20(7-5-17)28(26,27)23-10-8-22(9-11-23)21(25)14-19-13-16-2-3-18(19)12-16/h4-7,16,18-19H,2-3,8-14H2,1H3/t16-,18+,19+/m0/s1
SMILES: CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H](CN2C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCC4)C(=O)O)F
InChI: InChI=1S/C25H28FNO5/c1-14-5-6-17(12-19(14)26)22-21(23(28)29)18(13-27(22)24(30)32-25(2,3)4)15-7-8-20-16(11-15)9-10-31-20/h5-8,11-12,18,21-22H,9-10,13H2,1-4H3,(H,28,29)/t18-,21-,22+/m1/s1
SMILES: CC(C)OC1=C(C=C(C=C1)[C@H]2[C@@H]3C[NH+](CC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C)OC
InChI: InChI=1S/C23H25N5O2/c1-14(2)30-19-6-5-15(9-20(19)29-4)21-18-11-28(3)8-7-16(18)17(10-24)22(27)23(21,12-25)13-26/h5-7,9,14,17-18,21,27H,8,11H2,1-4H3/p+1/t17-,18-,21+/m1/s1
SMILES: CC(=O)OC[C@@]1(CCC[C@]2([C@H]1CC[C@H]3[C@@H]2CC[C@]([C@@H]3OC(=O)C)(C)CCO)C)C
InChI: InChI=1S/C24H40O5/c1-16(26)28-15-23(4)10-6-11-24(5)19-9-12-22(3,13-14-25)21(29-17(2)27)18(19)7-8-20(23)24/h18-21,25H,6-15H2,1-5H3/t18-,19-,20-,21+,22+,23-,24+/m0/s1
SMILES: CN1C2=CC=CC=C2C(=O)[C@@]13[C@@H]([C@@H](C4=NC5=CC=CC=C5[C@@]34OC)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C32H26N2O2/c1-34-26-20-12-9-17-23(26)30(35)31(34)28(22-15-7-4-8-16-22)27(21-13-5-3-6-14-21)29-32(31,36-2)24-18-10-11-19-25(24)33-29/h3-20,27-28H,1-2H3/t27-,28+,31+,32-/m0/s1
SMILES: COC1=C(C=C(C=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)CO)O)O
InChI: InChI=1S/C29H28N6O6/c1-40-21-10-9-17(11-20(21)37)28(39)34-23-25(38)22(13-36)41-29(23)35-15-33-24-26(31-14-32-27(24)35)30-12-18-7-4-6-16-5-2-3-8-19(16)18/h2-11,14-15,22-23,25,29,36-38H,12-13H2,1H3,(H,34,39)(H,30,31,32)/t22-,23-,25-,29-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCC(=O)O)C5=C(C=CC(=C5)OC)O
InChI: InChI=1S/C27H25NO8/c1-12-9-20(30)18-11-16-14(4-5-15-23(16)27(35)28(26(15)34)8-7-21(31)32)22(24(18)25(12)33)17-10-13(36-2)3-6-19(17)29/h3-4,6,9-10,15-16,22-23,29H,5,7-8,11H2,1-2H3,(H,31,32)/t15-,16+,22+,23-/m0/s1
SMILES: CCCN1CC[C@@]23C4=C5CC1[C@@]2(CCC(=O)C3(OC4=C(C=C5)O)C)OCCCC6=CC=CC=C6
InChI: InChI=1S/C29H35NO4/c1-3-16-30-17-15-28-25-21-11-12-22(31)26(25)34-27(28,2)24(32)13-14-29(28,23(30)19-21)33-18-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-12,23,31H,3,7,10,13-19H2,1-2H3/t23?,27?,28-,29+/m0/s1
SMILES: CC(C)NC(=O)C(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H24N4O5/c1-9(2)17-13(22)14(23)19-18-12(21)7-8-20-15(24)10-5-3-4-6-11(10)16(20)25/h9-11H,3-8H2,1-2H3,(H,17,22)(H,18,21)(H,19,23)/t10-,11-/m0/s1
SMILES: COC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C20H23NO7/c1-26-16-8-7-12(9-17(16)27-2)15(22)11-28-18(23)10-21-19(24)13-5-3-4-6-14(13)20(21)25/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-,14+
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C18H27N3OS/c1-11-8-9-15(10-13(11)3)17(22)20-21-18(23)19-16-7-5-6-12(2)14(16)4/h8-10,12,14,16H,5-7H2,1-4H3,(H,20,22)(H2,19,21,23)/t12-,14-,16+/m0/s1
SMILES: C1[C@H]([C@H](CS1(=O)=O)Cl)SS[C@H]2CS(=O)(=O)C[C@H]2Cl
InChI: InChI=1S/C8H12Cl2O4S4/c9-5-1-17(11,12)3-7(5)15-16-8-4-18(13,14)2-6(8)10/h5-8H,1-4H2/t5-,6+,7+,8-
SMILES: CC(=O)OCC(C(C(C=NC1C(N=C(N(C1=O)C)OC)NC2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H42N4O17/c1-13(35)44-11-21(47-15(3)37)24(49-17(5)39)20(46-14(2)36)10-31-23-27(33-30(43-9)34(8)29(23)42)32-28-26(51-19(7)41)25(50-18(6)40)22(12-45-28)48-16(4)38/h10,20-28,32H,11-12H2,1-9H3/t20?,21?,22-,23?,24?,25+,26-,27?,28?/m1/s1
SMILES: CC(=O)OC[C@@H]1C=C[C@H]([C@H](O1)[C]=[CH])O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Co].[Co]
InChI: InChI=1S/C25H22P2.C10H12O4.4CO.2Co/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-3-10-9(12)5-4-8(14-10)6-13-7(2)11;4*1-2;;/h1-20H,21H2;1,4-5,8-10,12H,6H2,2H3;;;;;;/t;8-,9+,10+;;;;;;/m.0....../s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=C(N=C(C(=N3)I)Cl)Cl)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C30H27Cl2IN2O4/c31-28-24(34-30(33)29(32)35-28)26-27(38-18-22-14-8-3-9-15-22)25(37-17-21-12-6-2-7-13-21)23(39-26)19-36-16-20-10-4-1-5-11-20/h1-15,23,25-27H,16-19H2/t23-,25-,26+,27-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)Cl)OC
InChI: InChI=1S/C18H22ClN3O4/c1-11-5-3-4-8-18(11)16(24)22(17(25)21-18)10-15(23)20-13-9-12(19)6-7-14(13)26-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,23)(H,21,25)/t11-,18-/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H46O11/c1-19-27(44-21(3)38)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(42)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26-29,32-35,42H,2,17-18H2,1,3-9H3/b16-15+/t26-,27-,28-,29-,32-,33+,34+,35-,37+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](OC4=C(C3=O)C=CC(=C4)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H32O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-16-19(33)21(35)23(37)27(41-16)42-25-18(32)12-4-3-11(28)7-15(12)40-24(25)10-2-5-13(29)14(30)6-10/h2-7,9,16-17,19-31,33-37H,8H2,1H3/t9-,16+,17-,19-,20+,21-,22+,23+,24+,25+,26+,27-/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)C5(N2C1)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C23H18N2O4/c26-19-14-9-4-5-10-15(14)20(27)23(19)18-17(16-11-6-12-24(16)23)21(28)25(22(18)29)13-7-2-1-3-8-13/h1-5,7-10,16-18H,6,11-12H2/t16-,17+,18-/m0/s1
SMILES: C1CC(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)[C@]4([C@@H]1C(OC4=O)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C(=O)N
InChI: InChI=1S/C33H23F4NO3/c34-23-9-1-19(2-10-23)29(20-3-11-24(35)12-4-20)27-17-18-28-32(27,30(38)39)31(40)41-33(28,21-5-13-25(36)14-6-21)22-7-15-26(37)16-8-22/h1-16,28H,17-18H2,(H2,38,39)/t28-,32+/m1/s1
SMILES: CC/C=C\[C@H]1[C@H](OC(O1)C)C2=C(C(=C(O2)CO[Si](C)(C)C(C)(C)C)OC(=O)OC)C
InChI: InChI=1S/C22H36O7Si/c1-10-11-12-16-20(27-15(3)26-16)19-14(2)18(29-21(23)24-7)17(28-19)13-25-30(8,9)22(4,5)6/h11-12,15-16,20H,10,13H2,1-9H3/b12-11-/t15?,16-,20-/m0/s1
SMILES: CC(C1C[C@@H]([C@H](C1)C2=CC=CC=C2)CN3CCC(CC3)CCCC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C29H39NO2/c1-22(29(31)32)26-19-27(28(20-26)25-13-6-3-7-14-25)21-30-17-15-24(16-18-30)12-8-11-23-9-4-2-5-10-23/h2-7,9-10,13-14,22,24,26-28H,8,11-12,15-21H2,1H3,(H,31,32)/t22?,26?,27-,28-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)Br)OC(=O)C)C
InChI: InChI=1S/C29H45BrO7/c1-15(7-10-24(33)35-6)19-8-9-20-25-21(14-23(29(19,20)5)37-17(3)32)28(4)12-11-18(36-16(2)31)13-22(28)27(34)26(25)30/h15,18-23,25-27,34H,7-14H2,1-6H3/t15-,18-,19-,20+,21+,22+,23+,25+,26+,27+,28-,29-/m1/s1
SMILES: CCCN(C1CCN(CC1)C[C@H]2CC(C[C@@H]2C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C34H43N3O4S/c1-2-20-37(34(38)41-26-27-12-6-3-7-13-27)31-18-21-36(22-19-31)25-29-23-30(24-33(29)28-14-8-4-9-15-28)35-42(39,40)32-16-10-5-11-17-32/h3-17,29-31,33,35H,2,18-26H2,1H3/t29-,30?,33-/m1/s1
SMILES: CCCCCCCCCCCCCCCCC[C@@H]([C@@H]1C[C@H]([C@H](O1)C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H72O4Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(38-40(8,9)34(2,3)4)31-28-32(33(29-36)37-31)39-41(10,11)35(5,6)7/h29-33H,12-28H2,1-11H3/t30-,31-,32+,33+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@@]2([C@@H]3CC[C@H]([C@H]2C(=O)OC)C=C3)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C25H26O5S/c1-17-8-14-21(15-9-17)31(28)25(24(27)30-16-18-6-4-3-5-7-18)20-12-10-19(11-13-20)22(25)23(26)29-2/h3-10,12,14-15,19-20,22H,11,13,16H2,1-2H3/t19-,20+,22+,25-,31+/m1/s1
SMILES: CCC12CC[C@H]3[C@H]([C@@H]1CC=C([C@@H]2O)Cl)CCC4=CC(=O)CC[C@H]34
InChI: InChI=1S/C20H27ClO2/c1-2-20-10-9-15-14-6-4-13(22)11-12(14)3-5-16(15)17(20)7-8-18(21)19(20)23/h8,11,14-17,19,23H,2-7,9-10H2,1H3/t14-,15+,16+,17-,19-,20?/m0/s1
SMILES: C[C@H]1[C@@H](C[C@H](O[C@H]1/C=C(/C)\C=C\CC=C)CCO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H40O3Si/c1-9-10-11-12-17(2)15-20-18(3)21(16-19(24-20)13-14-23)25-26(7,8)22(4,5)6/h9,11-12,15,18-21,23H,1,10,13-14,16H2,2-8H3/b12-11+,17-15-/t18-,19-,20+,21-/m1/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C2CC2)C(=O)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)OC)OCCCOC
InChI: InChI=1S/C32H45N3O5/c1-23(2)34(32(37)25-11-14-29(39-4)30(18-25)40-16-8-15-38-3)21-26-19-33-20-27(26)22-35(28-12-13-28)31(36)17-24-9-6-5-7-10-24/h5-7,9-11,14,18,23,26-28,33H,8,12-13,15-17,19-22H2,1-4H3/t26-,27-/m0/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2C[C@@H]3[C@H](C2)OCO3)O)S(=O)(=O)C4=CC(=C(C=C4)NC)OC
InChI: InChI=1S/C29H41N3O8S/c1-19(2)16-32(41(35,36)22-10-11-23(30-3)26(15-22)37-4)17-25(33)24(12-20-8-6-5-7-9-20)31-29(34)40-21-13-27-28(14-21)39-18-38-27/h5-11,15,19,21,24-25,27-28,30,33H,12-14,16-18H2,1-4H3,(H,31,34)/t21?,24-,25+,27-,28+/m0/s1
SMILES: C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CC6=CCCCC6)NC4=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C50H51N3O6/c54-31-32-58-39-26-24-38(25-27-39)46-50(40-33-35(23-28-41(40)51-49(50)57)22-21-34-15-7-4-8-16-34)42(47(55)52-29-13-2-1-3-14-30-52)44-48(56)59-45(37-19-11-6-12-20-37)43(53(44)46)36-17-9-5-10-18-36/h5-6,9-12,15,17-20,23-28,33,42-46,54H,1-4,7-8,13-14,16,29-32H2,(H,51,57)/t42-,43-,44-,45+,46+,50-/m0/s1
SMILES: [H][C@]1([C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO[P+](=O)O)O)[3H]
InChI: InChI=1S/C10H13N2O7P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16)17/h3,6-8,13H,2,4H2,1H3,(H-,11,14,15,16,17)/p+1/t6-,7+,8+/m0/s1/i2T/t2-,6+,7-,8-/m1
SMILES: CCCCCCCC(=O)N(CC1CC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C27H38N2O5/c1-2-3-4-5-6-11-23(31)29(17-18-12-13-18)21-16-20(27(33)28-14-15-30)24-19-9-7-8-10-22(19)34-26(24)25(21)32/h7-10,16,18,21,24-26,30,32H,2-6,11-15,17H2,1H3,(H,28,33)/t21-,24+,25+,26+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=CC=C3)Br
InChI: InChI=1S/C18H21BrN2O4/c1-12-5-2-3-8-18(12)16(23)21(17(24)20-18)10-15(22)25-11-13-6-4-7-14(19)9-13/h4,6-7,9,12H,2-3,5,8,10-11H2,1H3,(H,20,24)/t12-,18+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)OC(F)(F)F)O)C7=CC=CC=C7)NC8=CC=C(C=C8)C)(O)O
InChI: InChI=1S/C40H33BF3N3O8/c1-21-10-12-24(13-11-21)45-47-36(50)31-20-29-27(15-16-28-33(29)37(51)46(35(28)49)25-9-5-8-23(18-25)41(53)54)34(39(31,38(47)52)22-6-3-2-4-7-22)30-19-26(14-17-32(30)48)55-40(42,43)44/h2-15,17-19,28-29,31,33-34,45,48,53-54H,16,20H2,1H3/t28-,29+,31-,33-,34+,39+/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@H]([C@@H](S2)N3C=NC4=C3C(=NC=N4)NC(=O)C5=CC=CC=C5)[Se]C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C31H37N5O3SSeSi/c1-30(2,3)42(31(4,5)6)38-17-22-24(39-42)25(41-21-15-11-8-12-16-21)29(40-22)36-19-34-26-23(36)27(33-18-32-26)35-28(37)20-13-9-7-10-14-20/h7-16,18-19,22,24-25,29H,17H2,1-6H3,(H,32,33,35,37)/t22-,24-,25-,29-/m1/s1
SMILES: C[C@H]1C[C@H]([C@@H](N(C1)C)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O)C)O
InChI: InChI=1S/C28H41NO2/c1-16-12-26(31)27(29(5)15-16)18(3)21-8-9-22-23-7-6-19-13-20(30)10-11-28(19,4)25(23)14-24(22)17(21)2/h6,8-9,16,18,20,23,25-27,30-31H,7,10-15H2,1-5H3/t16-,18-,20-,23-,25-,26+,27-,28-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2C[C@@H](OC3=CC=CC=C32)C(=O)NC
InChI: InChI=1S/C19H27N3O3/c1-13-7-3-4-8-14(13)21-18(23)12-22-11-17(19(24)20-2)25-16-10-6-5-9-15(16)22/h5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14+,17+/m0/s1
SMILES: CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O
InChI: InChI=1S/C29H35N3O5/c1-17(2)12-19(15-26(34)37-3)28(35)31-24(13-20-16-30-23-11-7-6-9-21(20)23)29(36)32-27-22-10-5-4-8-18(22)14-25(27)33/h4-11,16-17,19,24-25,27,30,33H,12-15H2,1-3H3,(H,31,35)(H,32,36)/t19-,24+,25+,27-/m1/s1
SMILES: CC#C[C@]1(CC[C@H]2[C@@]1(C[C@H](C3=C4CCC(=O)C=C4CC[C@H]23)C5=CC=C(C=C5)N(C)C)C)O
InChI: InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28+,29-/m1/s1
SMILES: C1CC(CCC1C2=CC=C(C=C2)Br)N3C[C@@H]([C@H](C3)O)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C26H29BrF3N3O3/c27-20-8-4-16(5-9-20)17-6-10-21(11-7-17)33-14-22(23(34)15-33)32-24(35)13-31-25(36)18-2-1-3-19(12-18)26(28,29)30/h1-5,8-9,12,17,21-23,34H,6-7,10-11,13-15H2,(H,31,36)(H,32,35)/t17?,21?,22-,23-/m0/s1
SMILES: C[C@]12CCC(CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5(OCCO5)C)C)O
InChI: InChI=1S/C23H36O3/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h7,15-19,24H,4-6,8-14H2,1-3H3/t15?,16?,17-,18-,19-,21-,22-/m0/s1
SMILES: CCOC1C[C@]2(C[C@@]3(C[C@H]4[C@H]([C@@H]([C@@H]3[C@]25[C@@H]4OC(O5)(C)C)/C=C/CCCCO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)CCOCOCC[Si](C)(C)C)O)CO1
InChI: InChI=1S/C48H74O8Si2/c1-10-52-41-32-46(34-53-41)33-47(49)31-40-38(26-28-50-35-51-29-30-57(7,8)9)39(42(47)48(46)43(40)55-45(5,6)56-48)25-19-11-12-20-27-54-58(44(2,3)4,36-21-15-13-16-22-36)37-23-17-14-18-24-37/h13-19,21-25,38-43,49H,10-12,20,26-35H2,1-9H3/b25-19+/t38-,39-,40-,41?,42-,43+,46-,47+,48-/m0/s1
SMILES: CCC(=O)C(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C24H26N2O7/c1-2-18(28)24(31)26(12-14-7-10-32-13-14)17-11-16(23(30)25-8-9-27)20-15-5-3-4-6-19(15)33-22(20)21(17)29/h3-7,10-11,13,17,20-22,27,29H,2,8-9,12H2,1H3,(H,25,30)/t17-,20+,21+,22+/m1/s1
SMILES: C[C@]1([C@@](O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2O1)CI)OC)O)(C)OC)OC
InChI: InChI=1S/C13H23IO7/c1-12(17-4)13(2,18-5)21-10-8(15)11(16-3)19-7(6-14)9(10)20-12/h7-11,15H,6H2,1-5H3/t7-,8+,9-,10-,11+,12+,13+/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)CNC(=O)[C@H](C)OC(=O)C)CSC4=NN=C(S4)C
InChI: InChI=1S/C28H33N3O6S2/c1-16-24(15-38-28-31-30-18(3)39-28)36-27(37-25(16)22-9-7-21(14-32)8-10-22)23-11-5-20(6-12-23)13-29-26(34)17(2)35-19(4)33/h5-12,16-17,24-25,27,32H,13-15H2,1-4H3,(H,29,34)/t16-,17+,24+,25+,27+/m1/s1
SMILES: CCN(CC)CC#C[C@@]1(C[C@H](N(C[C@]1(C)O)C)C2=CC=C(C=C2)C)O
InChI: InChI=1S/C21H32N2O2/c1-6-23(7-2)14-8-13-21(25)15-19(22(5)16-20(21,4)24)18-11-9-17(3)10-12-18/h9-12,19,24-25H,6-7,14-16H2,1-5H3/t19-,20-,21-/m0/s1
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)/C=N/NC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O
InChI: InChI=1S/C23H22N4O8/c28-18-10-11-27(22(31)25-18)21-20(30)19(29)17(35-21)13-33-23(32)26-24-12-14-6-8-16(9-7-14)34-15-4-2-1-3-5-15/h1-12,17,19-21,29-30H,13H2,(H,26,32)(H,25,28,31)/b24-12+/t17-,19-,20-,21-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O3/c22-18(14-3-5-16(6-4-14)21(23)24)20-9-7-19(8-10-20)17-12-13-1-2-15(17)11-13/h3-6,13,15,17H,1-2,7-12H2/p+1/t13-,15+,17+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2[C@@H](C[C@]([C@H]1OC(=O)OCC3=CC=CC=C3)(C(=O)OC)O)OC4(O2)CCCCC4
InChI: InChI=1S/C28H42O9Si/c1-26(2,3)38(5,6)37-22-21-20(35-27(36-21)15-11-8-12-16-27)17-28(31,24(29)32-4)23(22)34-25(30)33-18-19-13-9-7-10-14-19/h7,9-10,13-14,20-23,31H,8,11-12,15-18H2,1-6H3/t20-,21-,22+,23+,28+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3
InChI: InChI=1S/C19H24N4O/c1-15-7-5-6-10-18(15)20-19(24)12-11-17-14-23(22-21-17)13-16-8-3-2-4-9-16/h2-4,8-9,11-12,14-15,18H,5-7,10,13H2,1H3,(H,20,24)/b12-11+/t15-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2CN([C@]3([C@]24CCCCC4=O)C5=CC=CC=C5NC3=O)C
InChI: InChI=1S/C24H26N2O2/c1-16-10-12-17(13-11-16)19-15-26(2)24(23(19)14-6-5-9-21(23)27)18-7-3-4-8-20(18)25-22(24)28/h3-4,7-8,10-13,19H,5-6,9,14-15H2,1-2H3,(H,25,28)/t19-,23+,24+/m0/s1
SMILES: C1C[C@@]2([C@H]1C3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5
InChI: InChI=1S/C20H16O/c1-2-7-15(8-3-1)20-13-12-17(20)19-16-9-5-4-6-14(16)10-11-18(19)21-20/h1-11,17H,12-13H2/t17-,20+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCC(=O)NC3CC3
InChI: InChI=1S/C16H23N3O4/c20-13(17-9-14(21)18-10-5-6-10)7-8-19-15(22)11-3-1-2-4-12(11)16(19)23/h10-12H,1-9H2,(H,17,20)(H,18,21)/t11-,12-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)[C@H]2[C@H](C(=CN3CCCC3)NC(=O)N2)C(=O)OC
InChI: InChI=1S/C19H25N3O3/c1-12-6-7-13(2)14(10-12)17-16(18(23)25-3)15(20-19(24)21-17)11-22-8-4-5-9-22/h6-7,10-11,16-17H,4-5,8-9H2,1-3H3,(H2,20,21,24)/t16-,17-/m0/s1
SMILES: CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@]5(C4)C[C@@H]5NC(=O)OC(C)(C)C
InChI: InChI=1S/C25H30FN3O5/c1-13-19-15(14-5-6-14)9-16(22(31)32)21(30)29(19)11-17(26)20(13)28-8-7-25(12-28)10-18(25)27-23(33)34-24(2,3)4/h9,11,14,18H,5-8,10,12H2,1-4H3,(H,27,33)(H,31,32)/t18-,25+/m0/s1
SMILES: CC(C)S(=O)(=O)[C@@]1(CC[C@@H]2[C@H]1[C@@H]3C(=O)CC[C@]2(S3(=O)=O)C)C
InChI: InChI=1S/C15H24O5S2/c1-9(2)21(17,18)15(4)7-5-10-12(15)13-11(16)6-8-14(10,3)22(13,19)20/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13+,14-,15-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C(=O)CC4=CC(=C(C=C4)OC)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(C=C6)OC)C
InChI: InChI=1S/C46H55NO7S/c1-31-8-6-22-45(2)40(38-18-11-32(26-35(48)15-10-31)27-39(38)44(50)34-13-16-36(52-3)17-14-34)20-23-46(45,51)30-47(24-21-37-9-7-25-55-37)43(49)29-33-12-19-41(53-4)42(28-33)54-5/h7-9,11-14,16-19,25,27-28,35,40,48,51H,6,10,15,20-24,26,29-30H2,1-5H3/t35-,40-,45-,46+/m0/s1
SMILES: CCC(CC)(C1=CC=CC=C1)C(=O)OC2=C3C4=C(C[C@@H]5[C@H]6[C@]4(CCN5C)[C@@H](O3)[C@H](C=C6)O)C=C2
InChI: InChI=1S/C29H33NO4/c1-4-28(5-2,19-9-7-6-8-10-19)27(32)33-23-14-11-18-17-21-20-12-13-22(31)26-29(20,15-16-30(21)3)24(18)25(23)34-26/h6-14,20-22,26,31H,4-5,15-17H2,1-3H3/t20-,21+,22-,26-,29-/m0/s1
SMILES: C[C@H]1[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C16H17NO2S/c1-12-8-10-15(11-9-12)20(18,19)17-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16+,17?/m0/s1
SMILES: CC1=NN=C(O1)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H22N2O10/c1-7-18-19-17(25-7)16-15(28-11(5)23)14(27-10(4)22)13(26-9(3)21)12(29-16)6-24-8(2)20/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2[C@H]([C@@H]([C@H](S2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5)F
InChI: InChI=1S/C34H38FN3O4SSi/c1-24(39)36-29-20-21-38(33(40)37-29)32-30(35)31(41-22-25-14-8-5-9-15-25)28(43-32)23-42-44(34(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,28,30-32H,22-23H2,1-4H3,(H,36,37,39,40)/t28-,30+,31-,32+/m1/s1
SMILES: C1CCC(=CC1)C#CC2=CC3=C(C=C2)N(C(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C57H48N4O10/c62-44-30-26-42(27-31-44)52-57(45-33-37(22-21-36-13-5-1-6-14-36)25-32-46(45)59(55(57)66)56(67)70-35-38-23-28-43(29-24-38)61(68)69)48(53(64)58-34-47(63)39-15-7-2-8-16-39)50-54(65)71-51(41-19-11-4-12-20-41)49(60(50)52)40-17-9-3-10-18-40/h2-4,7-13,15-20,23-33,47-52,62-63H,1,5-6,14,34-35H2,(H,58,64)/t47-,48+,49+,50+,51-,52-,57+/m0/s1