EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=C(C=CC(=C1)C=C[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)CCC(=O)O)O
InChI: InChI=1S/C32H27Cl2FN2O8/c1-45-24-14-16(3-11-23(24)38)2-10-22-19-8-9-20-26(28(42)36(27(20)41)13-12-25(39)40)21(19)15-31(33)29(43)37(30(44)32(22,31)34)18-6-4-17(35)5-7-18/h2-8,10-11,14,20-22,26,38H,9,12-13,15H2,1H3,(H,39,40)/t20-,21+,22-,26-,31+,32-/m0/s1
SMILES: C1=CC=C2C3=C4C(=CC2=C1)[C@@H]([C@H](C5=CC=CC(=C54)C=C3)O)O
InChI: InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20-/m0/s1
SMILES: C/C(=N\O)/C1=CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3/b24-14+/t17-,18-,20-,21+,22-,23+/m0/s1
SMILES: C1CN(CCN1)CCN2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C24H25N3O2/c28-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(29)27(23)14-13-26-11-9-25-10-12-26/h1-8,19-22,25H,9-14H2/t19?,20?,21-,22+
SMILES: CC12CCC[C@@]3(C1[C@@H]([C@]45C3C[C@H]([C@H](C4)C(=C)C5)O[Si](C)(C)C)C(=O)OC)OC2=O
InChI: InChI=1S/C23H34O5Si/c1-13-11-22-12-14(13)15(28-29(4,5)6)10-16(22)23-9-7-8-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14-,15-,16?,17-,18?,21?,22+,23-/m1/s1
SMILES: CC(C)(C)OC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CC(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C35H43NO8/c1-35(2,3)44-34(38)36-21-29-32(41-23-26-16-10-6-11-17-26)33(42-24-27-18-12-7-13-19-27)31(28(43-29)20-30(37)39-4)40-22-25-14-8-5-9-15-25/h5-19,28-29,31-33H,20-24H2,1-4H3,(H,36,38)/t28-,29+,31-,32+,33+/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N
InChI: InChI=1S/C41H37N5O9/c1-53-21-22-54-40(52)45-30-19-14-24(9-8-20-44-39(43)51)23-29(30)41(38(45)50)31(36(42)48)33-37(49)55-34(26-12-6-3-7-13-26)32(25-10-4-2-5-11-25)46(33)35(41)27-15-17-28(47)18-16-27/h2-7,10-19,23,31-35,47H,20-22H2,1H3,(H2,42,48)(H3,43,44,51)/t31-,32-,33-,34+,35+,41-/m1/s1
SMILES: CC1=NC=C(C(=C1O)CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(=O)O)O)O)O
InChI: InChI=1S/C17H23NO11/c1-7-13(23)9(4-19)8(3-18-7)5-28-17-16(26)15(25)14(24)10(29-17)6-27-12(22)2-11(20)21/h3,10,14-17,19,23-26H,2,4-6H2,1H3,(H,20,21)/t10-,14-,15+,16-,17-/m1/s1
SMILES: CC1(N([C@@H]([C@H](O1)/C=C/C2=NC=CS2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C32H42N2O4SSi/c1-30(2,3)38-29(35)34-26(27(37-32(34,7)8)19-20-28-33-21-22-39-28)23-36-40(31(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-22,26-27H,23H2,1-8H3/b20-19+/t26-,27-/m1/s1
SMILES: CC1=CC(=C2C(=C1)[C@@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=CC=C6)C(=O)N2)C
InChI: InChI=1S/C24H23N3O3/c1-13-11-14(2)20-16(12-13)24(23(30)25-20)19-18(17-9-6-10-26(17)24)21(28)27(22(19)29)15-7-4-3-5-8-15/h3-5,7-8,11-12,17-19H,6,9-10H2,1-2H3,(H,25,30)/t17-,18+,19-,24+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CN(C([C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)NCC2=CC=CC=C2)C(=O)C3=COC=C3
InChI: InChI=1S/C29H46N2O5Si2/c1-28(2,3)37(7,8)35-23-19-31(27(33)22-16-17-34-20-22)24(25(23)36-38(9,10)29(4,5)6)26(32)30-18-21-14-12-11-13-15-21/h11-17,20,23-25H,18-19H2,1-10H3,(H,30,32)/t23-,24?,25+/m0/s1
SMILES: C[C@@H]1C[C@]2(C=C(C3(CC3)[C@@]([C@@H]2C1=O)(C)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16+,17+,18+,20-/m1/s1
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O
InChI: InChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13-,15-,16-,17+,18-,19+,20-,21+/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(CC7=CC8=C(C=C7)OCO8)C(=O)OCCOCC9=CC=CC=C9
InChI: InChI=1S/C59H68N2O11/c1-5-29-69-59-54(61(37-41-21-25-52-53(32-41)68-39-67-52)57(64)66-31-30-65-38-40-15-7-6-8-16-40)36-50(60-72-58(2,3)4)48-34-44(19-11-13-27-62)47(20-12-14-28-63)55(56(48)59)49-35-46(24-26-51(49)71-59)70-45-23-22-42-17-9-10-18-43(42)33-45/h5-10,15-18,21-26,32-35,44,47,54-56,62-63H,1,11-14,19-20,27-31,36-39H2,2-4H3/t44-,47+,54-,55+,56+,59+/m0/s1
SMILES: CN(C)C(=S)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C9H17NO5S2/c1-10(2)9(16)17-8-7(14)6(13)5(12)4(3-11)15-8/h4-8,11-14H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1
SMILES: C[C@@H]1C(C(C2CC[C@@H]3[C@@H]4C2=C1CN([C@@]4(COC3OCC5=CC=C(C=C5)OC)C)C(=O)OC(C)(C)C)CO)CO
InChI: InChI=1S/C31H45NO7/c1-18-23-13-32(29(35)39-30(2,3)4)31(5)17-38-28(37-16-19-7-9-20(36-6)10-8-19)22-12-11-21(26(23)27(22)31)25(15-34)24(18)14-33/h7-10,18,21-22,24-25,27-28,33-34H,11-17H2,1-6H3/t18-,21?,22+,24?,25?,27+,28?,31+/m0/s1
SMILES: C1CC1C2=CC=C(C=C2)CC3=CNC4=C3C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C24H27NO6/c26-12-19-21(27)22(28)23(29)24(31-19)30-18-3-1-2-17-20(18)16(11-25-17)10-13-4-6-14(7-5-13)15-8-9-15/h1-7,11,15,19,21-29H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C49H53NO15/c1-26-33(63-45(58)38(54)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,41(55)39(62-28(3)52)36(26)46(49,5)6)34(61-27(2)51)23-35-48(40,25-60-35)65-29(4)53/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35+,37-,38+,39+,40?,42-,47+,48-,49+/m0/s1
SMILES: CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H34N4O4/c1-21(2,3)22-17(26)14-23-10-12-24(13-11-23)18(27)8-9-25-19(28)15-6-4-5-7-16(15)20(25)29/h15-16H,4-14H2,1-3H3,(H,22,26)/t15-,16+
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCCCOC3=CC(=CC(=C3C)C)C
InChI: InChI=1S/C23H33N3O4/c1-15-12-16(2)18(4)19(13-15)30-11-7-10-24-20(27)14-26-21(28)23(25-22(26)29)9-6-5-8-17(23)3/h12-13,17H,5-11,14H2,1-4H3,(H,24,27)(H,25,29)/t17-,23+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C26H15Cl2NO5/c27-14-10-11-18(17(28)12-14)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H/t19-,20+,21+/m1/s1
SMILES: CO[C@@]1([C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC=C(O6)Br
InChI: InChI=1S/C39H39BrO7/c1-41-39(34-22-23-35(40)46-34)38(45-27-32-20-12-5-13-21-32)37(44-26-31-18-10-4-11-19-31)36(43-25-30-16-8-3-9-17-30)33(47-39)28-42-24-29-14-6-2-7-15-29/h2-23,33,36-38H,24-28H2,1H3/t33-,36-,37+,38+,39+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)N3C(=O)NN=C3SCC4=CC=CC=C4
InChI: InChI=1S/C16H17N3OS/c20-15-17-18-16(21-10-11-4-2-1-3-5-11)19(15)14-9-12-6-7-13(14)8-12/h1-7,12-14H,8-10H2,(H,17,20)/t12-,13+,14+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=S)(N(CC)CC)OCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)O3)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C49H87N2O9PS/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-44(52)56-39-41(59-45(53)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2)40-58-61(62,50(7-3)8-4)57-38-37-51-48(54)46-42-35-36-43(60-42)47(46)49(51)55/h35-36,41-43,46-47H,5-34,37-40H2,1-4H3/t41?,42-,43+,46-,47+,61?
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SS(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H22O11S2/c1-7(16)22-6-11-12(23-8(2)17)13(24-9(3)18)14(25-10(4)19)15(26-11)27-28(5,20)21/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15+/m1/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)CCC7CCCC7)OCC=C)C
InChI: InChI=1S/C54H71N3O11/c1-4-29-65-54-50(56(25-30-64-31-28-60)51(61)24-18-39-11-5-6-12-39)35-48(55-66-36-40-16-19-42(20-17-40)57(62)63)46-33-41(13-7-9-26-58)45(14-8-10-27-59)52(53(46)54)47-34-44(22-23-49(47)68-54)67-43-21-15-37(2)38(3)32-43/h4,15-17,19-23,32-34,39,41,45,50,52-53,58-60H,1,5-14,18,24-31,35-36H2,2-3H3/t41-,45+,50-,52+,53+,54+/m0/s1
SMILES: C=CO[C@@H]1[C@H]([C@@H]([C@@H](CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H24O8/c1-2-32-28-24(36-27(31)21-16-10-5-11-17-21)23(35-26(30)20-14-8-4-9-15-20)22(18-33-28)34-25(29)19-12-6-3-7-13-19/h2-17,22-24,28H,1,18H2/t22-,23-,24+,28+/m1/s1
SMILES: C[C@H]1[C@@H]2C[C@@H]([C@@H](C2)C1(C)C)C3=CC=C(C=C3)OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H27NO2/c1-15-17-13-20(21(14-17)23(15,2)3)16-9-11-19(12-10-16)26-22(25)24-18-7-5-4-6-8-18/h4-12,15,17,20-21H,13-14H2,1-3H3,(H,24,25)/t15-,17+,20+,21+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5)OC)O)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)Cl
InChI: InChI=1S/C30H28Cl2N2O7/c1-33-27(39)29(31)14-21-18(24(30(29,32)28(33)40)19-8-7-17(41-2)13-22(19)36)9-10-20-23(21)26(38)34(25(20)37)12-11-15-3-5-16(35)6-4-15/h3-9,13,20-21,23-24,35-36H,10-12,14H2,1-2H3/t20-,21+,23-,24+,29+,30-/m0/s1
SMILES: C[C@@]1([C@H](O1)COCC2=CC=CC=C2)/C=C/CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H32O3Si/c1-19(2,3)24(5,6)22-14-10-13-20(4)18(23-20)16-21-15-17-11-8-7-9-12-17/h7-13,18H,14-16H2,1-6H3/b13-10+/t18-,20+/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=O)NC(C4=CC=CC=C4)C(=O)N(C)C)C2(Cl)Cl)NC(=O)OC(C)(C)C
InChI: InChI=1S/C36H50Cl2N6O8/c1-34(2,3)28(42-33(51)52-35(4,5)6)32(50)44-18-21-24(36(21,37)38)26(44)29(47)40-22(16-19-14-15-19)27(46)30(48)39-17-23(45)41-25(31(49)43(7)8)20-12-10-9-11-13-20/h9-13,19,21-22,24-26,28H,14-18H2,1-8H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t21-,22?,24-,25?,26-,28+/m0/s1
SMILES: CCC[C@@H]1O[C@H]2CC3C4CCC5=CC(=O)C=C[C@@]5(C4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
InChI: InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16?,17?,18-,20-,21+,22?,23-,24-,25+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
InChI: InChI=1S/C24H25NO8/c1-11(26)25-22-14-8-17-16(32-10-33-17)7-13(14)20(21-15(22)9-31-24(21)27)12-5-18(28-2)23(30-4)19(6-12)29-3/h5-8,15,20-22H,9-10H2,1-4H3,(H,25,26)/t15-,20+,21-,22+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@](C)(C2CCC3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)C
InChI: InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17?,18-,19?,21-,22+,23+,25-,26-,27+,28+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)NCC5=NC6=CC=CC=C6N5)C7=C(C=CC(=C7)C#CCN8C9=CC=CC=C9N=N8)NC4=O)C1=CC(=CC=C1)OCCO)C1=CC=CC=C1
InChI: InChI=1S/C52H42N8O6/c61-27-28-65-36-19-11-18-35(30-36)48-52(37-29-32(24-25-38(37)56-51(52)64)13-12-26-59-42-23-10-9-22-41(42)57-58-59)44(49(62)53-31-43-54-39-20-7-8-21-40(39)55-43)46-50(63)66-47(34-16-5-2-6-17-34)45(60(46)48)33-14-3-1-4-15-33/h1-11,14-25,29-30,44-48,61H,26-28,31H2,(H,53,62)(H,54,55)(H,56,64)/t44-,45-,46-,47+,48+,52-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)C(=N)N)CO)O)O
InChI: InChI=1S/C12H16N6O4/c1-12(21)8(20)5(2-19)22-11(12)18-4-17-7-6(9(13)14)15-3-16-10(7)18/h3-5,8,11,19-21H,2H2,1H3,(H3,13,14)/t5-,8-,11-,12-/m1/s1
SMILES: CN1C(=O)C2=CC3=COC=C[C@@H]([C@H]3N2C(=O)C1=S)OC(=O)C4=CC(=C(C=C4)OC)OC5=C(C=C(C=C5)C=O)OC
InChI: InChI=1S/C28H22N2O9S/c1-29-25(32)18-11-17-14-37-9-8-21(24(17)30(18)26(33)27(29)40)39-28(34)16-5-7-19(35-2)23(12-16)38-20-6-4-15(13-31)10-22(20)36-3/h4-14,21,24H,1-3H3/t21-,24-/m0/s1
SMILES: C[C@@H](CC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)C3=CC=CC=C3
InChI: InChI=1S/C20H29NO2/c1-16(17-8-3-2-4-9-17)14-20(22)23-15-18-10-7-13-21-12-6-5-11-19(18)21/h2-4,8-9,16,18-19H,5-7,10-15H2,1H3/t16-,18-,19+/m0/s1
SMILES: CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)CC[C@@]43C)C)F)O)C)C)OC(=O)CC
InChI: InChI=1S/C29H41FO7/c1-7-24(34)36-15-23(33)29(37-25(35)8-2)17(4)12-20-21-11-16(3)19-13-18(31)9-10-26(19,5)28(21,30)22(32)14-27(20,29)6/h13,16-17,20-22,32H,7-12,14-15H2,1-6H3/t16-,17-,20-,21-,22-,26-,27-,28-,29-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)SC3=CC=CC=C3)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H38Cl3NO7S2Si/c1-18-13-15-20(16-14-18)41(33,34)36-17-21-22(39-42(6,7)27(2,3)4)23(35-5)24(40-19-11-9-8-10-12-19)25(37-21)38-26(32)28(29,30)31/h8-16,21-25,32H,17H2,1-7H3/t21-,22-,23+,24-,25-/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=CC=CC=N3)C(=O)O
InChI: InChI=1S/C14H14N2O3/c17-13(16-10-3-1-2-6-15-10)11-8-4-5-9(7-8)12(11)14(18)19/h1-6,8-9,11-12H,7H2,(H,18,19)(H,15,16,17)/t8-,9+,11+,12+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)OC2CC3=CC=CC=C3N(C4=CC=CC=C24)C(=O)N)C(C)C
InChI: InChI=1S/C27H34N2O4/c1-17(2)20-13-12-18(3)14-24(20)32-16-26(30)33-25-15-19-8-4-6-10-22(19)29(27(28)31)23-11-7-5-9-21(23)25/h4-11,17-18,20,24-25H,12-16H2,1-3H3,(H2,28,31)/t18-,20+,24-,25?/m1/s1
SMILES: CCCC(=NCC1=CC2=C(C=C1)NC3=C2C[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)O)N
InChI: InChI=1S/C31H36N4O3/c1-2-3-25(32)33-15-18-6-8-22-20(12-18)21-14-31(37)24-13-19-7-9-23(36)28-26(19)30(31,29(38-28)27(21)34-22)10-11-35(24)16-17-4-5-17/h6-9,12,17,24,29,34,36-37H,2-5,10-11,13-16H2,1H3,(H2,32,33)/t24-,29+,30+,31-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)O
InChI: InChI=1S/C15H22N2O7/c1-7(2)6-8(16-12(18)10-11(24-10)15(22)23)13(19)17-5-3-4-9(17)14(20)21/h7-11H,3-6H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t8-,9-,10-,11-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OP(=O)(C)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C37H36N3O10P/c1-25-23-39(36(42)38-35(25)41)34-22-32(50-51(3,45)49-31-20-16-29(17-21-31)40(43)44)33(48-34)24-47-37(26-10-6-4-7-11-26,27-12-8-5-9-13-27)28-14-18-30(46-2)19-15-28/h4-21,23,32-34H,22,24H2,1-3H3,(H,38,41,42)/t32-,33+,34+,51?/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NC=NC3=CC=CC=C32
InChI: InChI=1S/C18H23N3OS/c1-12-6-5-9-15(13(12)2)21-17(22)10-23-18-14-7-3-4-8-16(14)19-11-20-18/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,21,22)/t12-,13+,15-/m0/s1
SMILES: C[C@@]12CC[C@@]([C@H]1Br)(C2(C)C)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C17H19BrF3NO/c1-14(2)15(3)7-8-16(14,12(15)18)13(23)22-11-6-4-5-10(9-11)17(19,20)21/h4-6,9,12H,7-8H2,1-3H3,(H,22,23)/t12-,15+,16-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCC=C)OCC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C55H62O12/c1-4-31-58-52-50(62-36-44-27-17-9-18-28-44)49(61-35-43-25-15-8-16-26-43)47(67-54(52)59-32-5-2)39-64-55-53(65-40(3)56)51(63-37-45-29-19-10-20-30-45)48(60-34-42-23-13-7-14-24-42)46(66-55)38-57-33-41-21-11-6-12-22-41/h4-30,46-55H,1-2,31-39H2,3H3/t46-,47-,48-,49-,50+,51+,52+,53+,54+,55+/m1/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)OC)OCC=C)C=O
InChI: InChI=1S/C48H60N2O12/c1-4-24-59-48-44(50(47(55)57-3)20-25-58-26-23-53)30-41(49-60-32-33-12-6-5-7-13-33)39-28-34(14-8-10-21-51)38(15-9-11-22-52)45(46(39)48)40-29-37(17-19-43(40)62-48)61-36-16-18-42(56-2)35(27-36)31-54/h4-7,12-13,16-19,27-29,31,34,38,44-46,51-53H,1,8-11,14-15,20-26,30,32H2,2-3H3/t34-,38+,44-,45+,46+,48+/m0/s1
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
InChI: InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31-,32+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(C#CC5=CC=CC=C5)OC(=O)C)C)C
InChI: InChI=1S/C31H40O4/c1-21(32)34-28-13-12-26-25-11-10-24-20-31(35-22(2)33,17-14-23-8-6-5-7-9-23)19-18-29(24,3)27(25)15-16-30(26,28)4/h5-9,24-28H,10-13,15-16,18-20H2,1-4H3/t24-,25+,26-,27+,28-,29-,30-,31+/m0/s1
SMILES: CC(=C)C1=CC2=C(CC1)[C@]3(CCC[C@]([C@@H]3CC2)(C)C=O)C
InChI: InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,18H,1,5-11H2,2-4H3/t18-,19+,20+/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCC6=CC=CC=C6C5)C
InChI: InChI=1S/C24H31NO3/c1-15-6-5-10-23(2)12-19-20(21-24(15,23)28-21)18(22(26)27-19)14-25-11-9-16-7-3-4-8-17(16)13-25/h3-4,7-8,15,18-21H,5-6,9-14H2,1-2H3/t15-,18+,19+,20+,21-,23+,24-/m0/s1
SMILES: C/C/1=C\CCC(=C)[C@H]2[C@H](CC1)[C@]3([C@@H]2OC(=O)C3)CCC=C(C)C
InChI: InChI=1S/C21H30O2/c1-14(2)7-6-12-21-13-18(22)23-20(21)19-16(4)9-5-8-15(3)10-11-17(19)21/h7-8,17,19-20H,4-6,9-13H2,1-3H3/b15-8+/t17-,19-,20+,21-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
InChI: InChI=1S/C30H59NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-29(35)28-26(33)25(32)27(34)30(36)37-28/h25-28,30,32-34,36H,2-24H2,1H3,(H,31,35)/t25-,26-,27+,28-,30+/m0/s1
SMILES: CCC(C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)[C@@H](C)O)CO)C
InChI: InChI=1S/C46H67N7O11/c1-9-27(6)39(56)47-35(23-31-18-14-11-15-19-31)43(60)53-38-29(8)64-46(63)36(24-54)51-44(61)37(28(7)55)52-42(59)33(21-26(4)5)48-41(58)34(22-30-16-12-10-13-17-30)49-40(57)32(20-25(2)3)50-45(38)62/h10-19,25-29,32-38,54-55H,9,20-24H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,62)(H,51,61)(H,52,59)(H,53,60)/t27?,28-,29-,32-,33-,34-,35-,36+,37+,38+/m1/s1
SMILES: C[C@]12[C@H](N(O[C@@H]1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H19ClN2O3/c1-24-20(16-9-4-2-5-10-16)27(18-12-6-3-7-13-18)30-21(24)22(28)26(23(24)29)19-14-8-11-17(25)15-19/h2-15,20-21H,1H3/t20-,21-,24+/m1/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@@H](CCN2C(=O)CCC(=O)O)N(C1=O)CC3=CC(=CC=C3)F
InChI: InChI=1S/C20H24FN3O5/c1-12(2)24-19(28)18-15(8-9-22(18)16(25)6-7-17(26)27)23(20(24)29)11-13-4-3-5-14(21)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3,(H,26,27)/t15-,18+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@]4(CCC[C@@]3([C@H]1CC[C@]([C@H]2CC5=CC(=O)C=CC5=O)(C)O)COC4=O)C
InChI: InChI=1S/C26H34O5/c1-23-11-7-20-24(2)9-4-10-26(20,15-31-22(24)29)19(23)8-12-25(3,30)21(23)14-16-13-17(27)5-6-18(16)28/h5-6,13,19-21,30H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@H](O[C@H]([C@H]2OS(=O)(=O)C3=CC=C(C=C3)C)N4C=NC5=C(N=CN=C54)N)CO
InChI: InChI=1S/C24H25N5O8S2/c1-14-3-7-16(8-4-14)38(31,32)36-20-18(11-30)35-24(29-13-28-19-22(25)26-12-27-23(19)29)21(20)37-39(33,34)17-9-5-15(2)6-10-17/h3-10,12-13,18,20-21,24,30H,11H2,1-2H3,(H2,25,26,27)/t18-,20+,21+,24-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@H](/C(=N/OC5=CC=C(C=C5)[N+](=O)[O-])/C4)Cl)C
InChI: InChI=1S/C25H31ClN2O4/c1-24-12-11-20-18(19(24)9-10-23(24)29)8-3-15-13-22(21(26)14-25(15,20)2)27-32-17-6-4-16(5-7-17)28(30)31/h4-7,15,18-21H,3,8-14H2,1-2H3/b27-22+/t15-,18-,19-,20-,21+,24-,25-/m0/s1
SMILES: CC[C@H]1[C@H](C[C@@H]([Se][C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C19H22OSe/c1-2-16-17(20)13-18(14-9-5-3-6-10-14)21-19(16)15-11-7-4-8-12-15/h3-12,16-20H,2,13H2,1H3/t16-,17-,18+,19+/m0/s1
SMILES: CCCCCCCC(=O)OC1=C(C=C(C=C1)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)OC)OC)OC
InChI: InChI=1S/C29H38O7/c1-5-6-7-8-9-10-28(30)36-25-14-12-21(18-27(25)34-4)16-23-22(19-35-29(23)31)15-20-11-13-24(32-2)26(17-20)33-3/h11-14,17-18,22-23H,5-10,15-16,19H2,1-4H3/t22-,23+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)C(=O)N)Br)O
InChI: InChI=1S/C23H21BrN4O8/c1-36-13-5-7(4-12(24)17(13)29)14-8-2-3-9-15(20(32)27(18(9)30)22(25)34)10(8)6-11-16(14)21(33)28(19(11)31)23(26)35/h2,4-5,9-11,14-16,29H,3,6H2,1H3,(H2,25,34)(H2,26,35)/t9-,10+,11+,14-,15-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OS(=O)(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C24H25N5O8S2/c1-14-3-7-16(8-4-14)38(31,32)35-11-18-21(37-39(33,34)17-9-5-15(2)6-10-17)20(30)24(36-18)29-13-28-19-22(25)26-12-27-23(19)29/h3-10,12-13,18,20-21,24,30H,11H2,1-2H3,(H2,25,26,27)/t18-,20-,21-,24-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2[C@H](C1=O)C3(C4=CC=CC=C4C2C5=CC=CC=C53)C(OC)OC
InChI: InChI=1S/C25H27NO4/c1-24(2,3)26-21(27)19-18-14-10-6-8-12-16(14)25(20(19)22(26)28,23(29-4)30-5)17-13-9-7-11-15(17)18/h6-13,18-20,23H,1-5H3/t18?,19-,20-,25?/m1/s1
SMILES: C1[C@@H]([C@@]2(C(=C(C(=O)O2)CC3=CC=CC=C3)[C@]([C@H]1O)(C4=CC=CC=C4)O)CC5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H30O4/c35-30-22-29(26-17-9-3-10-18-26)33(23-25-15-7-2-8-16-25)31(34(30,37)27-19-11-4-12-20-27)28(32(36)38-33)21-24-13-5-1-6-14-24/h1-20,29-30,35,37H,21-23H2/t29-,30+,33-,34-/m1/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C20H17N3O5/c1-27-14-11-7-6-10-13(14)22-18(24)15-16(20(26)28-2)21-23(17(15)19(22)25)12-8-4-3-5-9-12/h3-11,15,17H,1-2H3/t15-,17-/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H32N2O/c1-3-16-10-7-11-17(4-2)21(16)22-20(24)15-23-14-8-12-18-9-5-6-13-19(18)23/h7,10-11,18-19H,3-6,8-9,12-15H2,1-2H3,(H,22,24)/p+1/t18-,19+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)NCC=C
InChI: InChI=1S/C22H27N5O4/c1-4-10-24-22(28)31-18-13-30-19-17(12-29-20(18)19)26-21-23-11-9-16(25-21)14-5-7-15(8-6-14)27(2)3/h4-9,11,17-20H,1,10,12-13H2,2-3H3,(H,24,28)(H,23,25,26)/t17-,18+,19+,20+/m0/s1
SMILES: C[C@H](COCC1=CC=CC=C1)[C@H]2[C@@H](OC(O2)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H38O4Si/c1-17(14-23-15-18-12-10-9-11-13-18)20-19(25-22(5,6)26-20)16-24-27(7,8)21(2,3)4/h9-13,17,19-20H,14-16H2,1-8H3/t17-,19+,20+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]([C@@](NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H17F3N2O2S/c1-11-7-9-12(10-8-11)15-14(16(25)13-5-3-2-4-6-13)18(26,19(20,21)22)24-17(27)23-15/h2-10,14-15,26H,1H3,(H2,23,24,27)/t14-,15+,18-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)OC(=O)CCC/C=C\C[C@H]2[C@H](CC(=O)[C@@H]2N3CCOCC3)OCC4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C37H41NO6/c1-27(39)29-17-19-32(20-18-29)44-36(41)12-8-3-2-7-11-33-35(25-34(40)37(33)38-21-23-42-24-22-38)43-26-28-13-15-31(16-14-28)30-9-5-4-6-10-30/h2,4-7,9-10,13-20,33,35,37H,3,8,11-12,21-26H2,1H3/b7-2-/t33-,35-,37+/m0/s1
SMILES: CC1=CC(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=C(C(=CC(=C3)Br)OC)O)C=C)C
InChI: InChI=1S/C21H21BrO4/c1-5-12-6-7-15-19(24)11(2)8-17(23)21(15,3)18(12)14-9-13(22)10-16(26-4)20(14)25/h5-6,8-10,15,18,25H,1,7H2,2-4H3/t15-,18+,21-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2C[C@H]([C@H]([C@@H](O2)[C@@H]3[C@H](OC(O3)(C)C)C(C=C)O)OCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC)C
InChI: InChI=1S/C34H46O10/c1-8-25(35)29-32(44-34(4,5)43-29)31-30(39-19-22-11-15-24(37-7)16-12-22)27(38-18-21-9-13-23(36-6)14-10-21)17-26(41-31)28-20-40-33(2,3)42-28/h8-16,25-32,35H,1,17-20H2,2-7H3/t25?,26-,27-,28-,29-,30-,31-,32+/m1/s1
SMILES: CCOC(=O)C1=C(C=CN1[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O)C#N
InChI: InChI=1S/C19H30N2O5Si/c1-7-24-18(23)17-13(11-20)8-9-21(17)16-10-14(22)15(26-16)12-25-27(5,6)19(2,3)4/h8-9,14-16,22H,7,10,12H2,1-6H3/t14-,15+,16+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]3[C@](O3)(C4C2C=CO[C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)OC(=O)C6=CC=CC=C6)O)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C35H40O16/c1-16-26(47-30(42)17-8-4-2-5-9-17)25(41)28(48-31(43)18-10-6-3-7-11-18)34(45-16)49-27-19-12-13-44-32(21(19)35(15-37)29(27)51-35)50-33-24(40)23(39)22(38)20(14-36)46-33/h2-13,16,19-29,32-34,36-41H,14-15H2,1H3/t16-,19?,20-,21?,22-,23+,24-,25-,26+,27+,28+,29+,32+,33+,34+,35-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H41N2O10PSi/c1-23-30-29(24(2)47-49(6,7)35(3,4)5)33(38)36(30)31(34(39)43-22-25-18-20-26(21-19-25)37(40)41)32(23)46-48(42,44-27-14-10-8-11-15-27)45-28-16-12-9-13-17-28/h8-21,23-24,29-30H,22H2,1-7H3/t23-,24-,29-,30-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)NC3=C(C=CC=C3C2(C)C)C(=O)O
InChI: InChI=1S/C17H23NO2/c1-10-7-8-12-14(9-10)18-15-11(16(19)20)5-4-6-13(15)17(12,2)3/h4-6,10,12,14,18H,7-9H2,1-3H3,(H,19,20)/t10-,12+,14-/m1/s1