EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43
InChI: InChI=1S/C23H27N3O5/c27-20(24-11-9-15-13-25-19-8-4-3-5-16(15)19)14-31-21(28)10-12-26-22(29)17-6-1-2-7-18(17)23(26)30/h3-5,8,13,17-18,25H,1-2,6-7,9-12,14H2,(H,24,27)/t17-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CN2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC5=C(C=C4)OCO5)O
InChI: InChI=1S/C25H30N2O5/c1-30-19-8-6-18(7-9-19)26-23(28)15-27-13-12-25(29)11-3-2-4-20(25)24(27)17-5-10-21-22(14-17)32-16-31-21/h5-10,14,20,24,29H,2-4,11-13,15-16H2,1H3,(H,26,28)/t20-,24+,25+/m1/s1
SMILES: CC(C)C[C@H]1[C@@](C[N+]1(CC2=CC=CC=C2)CC3=CC=CC=C3)(C)O
InChI: InChI=1S/C22H30NO/c1-18(2)14-21-22(3,24)17-23(21,15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,18,21,24H,14-17H2,1-3H3/q+1/t21-,22-/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](NC3=CC=CC=C3N2)C4=CC(=C(C=C4)O)OC)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C23H24N2O5/c1-12-10-16-20(22(27)19(12)23(28)30-3)21(13-8-9-17(26)18(11-13)29-2)25-15-7-5-4-6-14(15)24-16/h4-9,11-12,19,21,24-26H,10H2,1-3H3/t12-,19-,21-/m1/s1
SMILES: CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)OC)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C23H23N3O4/c1-12(2)19-17-18(23(25-19)15-6-4-5-7-16(15)24-22(23)29)21(28)26(20(17)27)13-8-10-14(30-3)11-9-13/h4-12,17-19,25H,1-3H3,(H,24,29)/p+1/t17-,18-,19-,23-/m0/s1
SMILES: CN(C)C(=O)OC1=CC=CC2=C1CC[C@@H]3[C@H]2CCN3CCCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C29H35N3O4/c1-30(2)29(35)36-26-13-9-12-20-21-16-19-31(25(21)15-14-22(20)26)17-7-3-4-8-18-32-27(33)23-10-5-6-11-24(23)28(32)34/h5-6,9-13,21,25H,3-4,7-8,14-19H2,1-2H3/t21-,25+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[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(=C(C=C8)C)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H64N2O8/c1-5-31-63-56-52(58(55(61)62-6-2)36-43-22-16-21-41-19-10-11-23-46(41)43)35-50(57-64-37-40-17-8-7-9-18-40)48-33-42(20-12-14-29-59)47(24-13-15-30-60)53(54(48)56)49-34-45(27-28-51(49)66-56)65-44-26-25-38(3)39(4)32-44/h5,7-11,16-19,21-23,25-28,32-34,42,47,52-54,59-60H,1,6,12-15,20,24,29-31,35-37H2,2-4H3/t42-,47+,52-,53+,54+,56+/m0/s1
SMILES: CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3)C(=O)OC4CCCCC4)C5=C2C1=CC=C5
InChI: InChI=1S/C24H32N2O2/c1-15(2)26-14-17-12-21-20(19-9-6-10-22(26)23(17)19)11-16(13-25-21)24(27)28-18-7-4-3-5-8-18/h6,9-10,14-16,18,20-21,25H,3-5,7-8,11-13H2,1-2H3/t16-,20-,21-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C\C5=CC=CC=C5)/[C@@H](C4)O)C
InChI: InChI=1S/C27H38O2/c1-25-17-19(15-18-7-5-4-6-8-18)24(28)16-20(25)9-10-21-22(25)11-13-26(2)23(21)12-14-27(26,3)29/h4-8,15,20-24,28-29H,9-14,16-17H2,1-3H3/b19-15+/t20-,21-,22-,23-,24+,25-,26+,27-/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)OC)O)C
InChI: InChI=1S/C42H55NO8/c1-38-15-12-29(45)21-40(38)18-19-42(33(22-40)37(47)27-6-9-31(49-3)10-7-27)35(38)13-16-39(2)36(42)14-17-41(39,48)26-43(24-30(46)25-44)23-28-8-11-32(50-4)20-34(28)51-5/h6-11,18-20,22,29-30,35-36,44-46,48H,12-17,21,23-26H2,1-5H3/t29?,30-,35+,36+,38+,39-,40-,41+,42+/m0/s1
SMILES: CC(=O)N1[C@@H]2[C@@H]3N[C@@H]4[C@@H](N2)N(C(C1N3C(=O)C)N4C(=O)C)C(=O)C
InChI: InChI=1S/C14H20N6O4/c1-5(21)17-9-10-16-12-11(15-9)19(7(3)23)14(20(12)8(4)24)13(17)18(10)6(2)22/h9-16H,1-4H3/t9-,10-,11+,12+,13?,14?
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC(=NO3)C(C)(C)C
InChI: InChI=1S/C20H28N4O6/c1-12-7-5-6-8-20(12)17(27)24(18(28)22-20)10-16(26)29-11-14(25)21-15-9-13(23-30-15)19(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H,21,25)(H,22,28)/t12-,20-/m0/s1
SMILES: CCCCCCC(CCC)C(=O)OCC1=CC[C@H]2[C@H](C1)C3=C(C=C(C=C3OC2(C)C)C(C)(C)CCCCCC)O
InChI: InChI=1S/C36H58O4/c1-8-11-13-15-18-27(17-10-3)34(38)39-25-26-19-20-30-29(22-26)33-31(37)23-28(24-32(33)40-36(30,6)7)35(4,5)21-16-14-12-9-2/h19,23-24,27,29-30,37H,8-18,20-22,25H2,1-7H3/t27?,29-,30-/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CSC3=NN=CN3C4=CC=CC=C4
InChI: InChI=1S/C19H24N4OS/c24-18(22-12-6-8-15-7-4-5-11-17(15)22)13-25-19-21-20-14-23(19)16-9-2-1-3-10-16/h1-3,9-10,14-15,17H,4-8,11-13H2/t15-,17-/m1/s1
SMILES: CCCCCCCCC1(O[C@@H]2C(O[C@H](CC2O1)O[C@@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)C)CC
InChI: InChI=1S/C40H62O9/c1-5-7-8-9-10-11-16-39(6-2)48-32-22-34(46-26(3)35(32)49-39)47-28-12-18-37(25-41)30-13-17-36(4)29(27-21-33(42)45-24-27)15-20-40(36,44)31(30)14-19-38(37,43)23-28/h21,25-26,28-32,34-35,43-44H,5-20,22-24H2,1-4H3/t26?,28-,29-,30?,31?,32?,34+,35-,36-,37+,38+,39?,40+/m1/s1
SMILES: C1C[C@@H]([C@H]([C@@H]1CN2C(=O)N=C3C=CC=CN3C2=O)C(=O)O)SC4=CC=C(C=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)OCCNS(=O)(=O)C)(C)C=C)O
InChI: InChI=1S/C25H40N2O8S/c1-7-23(4)14-18(35-22(31)27-21(30)34-13-12-26-36(6,32)33)24(5)15(2)8-10-25(16(3)20(23)29)11-9-17(28)19(24)25/h7,15-16,18-20,26,29H,1,8-14H2,2-6H3,(H,27,30,31)/t15?,16-,18+,19-,20-,23+,24+,25-/m0/s1
SMILES: CC1=CC[C@@H](CC1)C(C)/C=C\[C@@H]2[C@@H]3[C@H]([C@@H](O2)OCC4=CC=CC=C4)OC(O3)(C)C
InChI: InChI=1S/C25H34O4/c1-17-10-13-20(14-11-17)18(2)12-15-21-22-23(29-25(3,4)28-22)24(27-21)26-16-19-8-6-5-7-9-19/h5-10,12,15,18,20-24H,11,13-14,16H2,1-4H3/b15-12-/t18?,20-,21+,22+,23+,24+/m0/s1
SMILES: CC(=C)[C@@H]1[C@H]2[C@@H]3[C@]4([C@@]([C@@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C.C[C@]12[C@H]3[C@@H]4[C@H]([C@H]([C@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
InChI: InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7+,8+,9-,13+,14+,15+;6-,7+,8+,9+,10-,13+,14+,15+/m11/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)Br)OC)O
InChI: InChI=1S/C27H24BrNO8/c1-11-7-18(30)16-10-15-13(3-4-14-22(15)27(36)29(26(14)35)6-5-20(31)32)21(23(16)24(11)33)17-8-12(28)9-19(37-2)25(17)34/h3,7-9,14-15,21-22,34H,4-6,10H2,1-2H3,(H,31,32)/t14-,15+,21+,22-/m0/s1
SMILES: CC(C)N(C)C(=O)CCCCCCCOC1=CC=C(C=C1)[C@H]2C[C@@]3([C@H](CCC3[C@]4(C2C5=C(CC4)C=C(C=C5)O)C=C)O)C
InChI: InChI=1S/C38H53NO4/c1-6-38-22-21-28-24-29(40)15-18-31(28)36(38)32(25-37(4)33(38)19-20-34(37)41)27-13-16-30(17-14-27)43-23-11-9-7-8-10-12-35(42)39(5)26(2)3/h6,13-18,24,26,32-34,36,40-41H,1,7-12,19-23,25H2,2-5H3/t32-,33?,34+,36?,37+,38+/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)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CSCCO
InChI: InChI=1S/C39H44N2O7S/c1-26-35(25-49-21-20-42)47-38(48-36(26)30-14-12-28(24-43)13-15-30)31-18-16-29(17-19-31)33-11-7-6-10-32(33)23-40-39(45)41-34(37(44)46-2)22-27-8-4-3-5-9-27/h3-19,26,34-36,38,42-43H,20-25H2,1-2H3,(H2,40,41,45)/t26-,34+,35+,36+,38+/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)CCCC(=O)O)CN(C)[C@@H](C)[C@@H](C5=CC=CC=C5)O
InChI: InChI=1S/C41H48N2O7/c1-27-36(25-43(3)28(2)39(48)31-10-5-4-6-11-31)49-41(50-40(27)32-18-16-29(26-44)17-19-32)33-22-20-30(21-23-33)35-13-8-7-12-34(35)24-42-37(45)14-9-15-38(46)47/h4-8,10-13,16-23,27-28,36,39-41,44,48H,9,14-15,24-26H2,1-3H3,(H,42,45)(H,46,47)/t27-,28+,36+,39+,40+,41+/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCC[C@H]5COC
InChI: InChI=1S/C37H47N3O7/c1-25-33(22-40-19-7-10-31(40)24-44-2)46-36(47-34(25)29-15-13-28(23-41)14-16-29)30-17-11-27(12-18-30)21-38-37(43)39-32(35(42)45-3)20-26-8-5-4-6-9-26/h4-6,8-9,11-18,25,31-34,36,41H,7,10,19-24H2,1-3H3,(H2,38,39,43)/t25-,31+,32+,33+,34+,36+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O)OC
InChI: InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
SMILES: CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C14H19N5O5/c1-2-3-8(20)23-4-7-10(21)11(22)14(24-7)19-6-18-9-12(15)16-5-17-13(9)19/h5-7,10-11,14,21-22H,2-4H2,1H3,(H2,15,16,17)/t7-,10-,11+,14-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCN(CC9)CC1=CC2=C(C=C1)OCO2
InChI: InChI=1S/C60H57N5O10/c1-39(42-14-5-2-6-15-42)61-59(71)64-48-26-20-40(13-11-12-32-66)35-47(48)60(58(64)70)51(56(68)63-30-28-62(29-31-63)37-41-21-27-49-50(36-41)74-38-73-49)53-57(69)75-54(44-18-9-4-10-19-44)52(43-16-7-3-8-17-43)65(53)55(60)45-22-24-46(25-23-45)72-34-33-67/h2-10,14-27,35-36,39,51-55,66-67H,12,28-34,37-38H2,1H3,(H,61,71)/t39-,51-,52-,53-,54+,55+,60-/m1/s1
SMILES: CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCC3=CC=CC=C3
InChI: InChI=1S/C23H31NO4/c1-4-23(2,3)20(25)21(26)24-18-13-12-17(15-18)19(24)22(27)28-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,17-19H,4,8,11-15H2,1-3H3/t17-,18+,19+/m1/s1
SMILES: C[C@@H]1COC2=C(C(=C[C@@H]3[C@@H]2N1C=C(C3=O)C(=O)[O-])F)F
InChI: InChI=1S/C13H11F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5-6,10H,4H2,1H3,(H,18,19)/p-1/t5-,6-,10+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C32H46N2O5Si2/c1-23-21-34(30(36)33-29(23)35)28-20-26(27(38-28)22-37-40(8,9)31(2,3)4)39-41(32(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,21,26-28H,20,22H2,1-9H3,(H,33,35,36)/t26-,27-,28-/m1/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)N
InChI: InChI=1S/C28H36N4O7S2/c1-17(2)14-32(41(35,36)19-8-9-21-25(13-19)40-27(29)30-21)15-23(33)22(12-18-6-4-3-5-7-18)31-28(34)39-24-16-38-26-20(24)10-11-37-26/h3-9,13,17,20,22-24,26,33H,10-12,14-16H2,1-2H3,(H2,29,30)(H,31,34)/t20-,22-,23+,24-,26+/m0/s1
SMILES: CC([C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C24H33N5O4Si/c1-15(30)20-17(33-34(5,6)24(2,3)4)12-18(32-20)29-14-27-19-21(25-13-26-22(19)29)28-23(31)16-10-8-7-9-11-16/h7-11,13-15,17-18,20,30H,12H2,1-6H3,(H,25,26,28,31)/t15?,17-,18+,20+/m0/s1
SMILES: CCCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C22H23NO7/c1-4-7-23-20(12-5-6-15-18(8-12)30-11-29-15)19(22(25)26)13-9-16(27-2)17(28-3)10-14(13)21(23)24/h5-6,8-10,19-20H,4,7,11H2,1-3H3,(H,25,26)/t19-,20-/m1/s1
SMILES: CCC1=NOC(=C1)[C@@H]2[C@H]3CC[C@H](N3C)C[C@@H]2C4=CC=C(C=C4)C
InChI: InChI=1S/C20H26N2O/c1-4-15-11-19(23-21-15)20-17(14-7-5-13(2)6-8-14)12-16-9-10-18(20)22(16)3/h5-8,11,16-18,20H,4,9-10,12H2,1-3H3/t16-,17+,18+,20-/m0/s1
SMILES: C[C@H]1[C@H](C[C@@H]([C@]2([C@H]1[C@H]([C@@]34[C@H](/C=C(\CC[C@H]2OC(=O)C)/C)OC(=O)[C@@]3(O4)C)O)C)OC(=O)C)O
InChI: InChI=1S/C24H34O9/c1-11-7-8-16(30-13(3)25)22(5)17(31-14(4)26)10-15(27)12(2)19(22)20(28)24-18(9-11)32-21(29)23(24,6)33-24/h9,12,15-20,27-28H,7-8,10H2,1-6H3/b11-9-/t12-,15-,16+,17-,18-,19+,20+,22-,23-,24-/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CSSC)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C35H48ClN3O10S2/c1-19-11-10-12-26(46-8)35(44)17-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)29(41)18-51-50-9)16-28(40)39(6)23-14-22(13-19)15-24(45-7)30(23)36/h10-12,14-15,20-21,25-27,31,44H,13,16-18H2,1-9H3,(H,37,43)/b12-10+,19-11+/t20-,21-,25+,26-,27+,31+,34+,35+/m1/s1
SMILES: CCNC1=NN=C(S1)S[C@@H](C)C(=O)N[C@@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C15H26N4OS2/c1-5-16-14-18-19-15(22-14)21-11(4)13(20)17-12-8-6-7-9(2)10(12)3/h9-12H,5-8H2,1-4H3,(H,16,18)(H,17,20)/t9-,10+,11+,12-/m1/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[NH+]1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C25H23FN2O3/c1-25(2,3)22(29)21-19-18(20-17-7-5-4-6-14(17)12-13-27(20)21)23(30)28(24(19)31)16-10-8-15(26)9-11-16/h4-13,18-21H,1-3H3/p+1/t18-,19+,20+,21-/m0/s1
SMILES: CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C[NH+]3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H26N2O3/c1-14(24)21-20(17-8-4-5-9-18(17)26-21)22-19(25)13-23-11-10-15-6-2-3-7-16(15)12-23/h4-5,8-9,15-16H,2-3,6-7,10-13H2,1H3,(H,22,25)/p+1/t15-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)O[C@@H]([C@H]2OCC5=CC=CC=C5)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C29H29F3O9S/c1-35-22-14-12-20(13-15-22)17-36-25-24-23(18-38-27(40-24)21-10-6-3-7-11-21)39-28(41-42(33,34)29(30,31)32)26(25)37-16-19-8-4-2-5-9-19/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+,26+,27-,28-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC/C=C\C2=CC=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H30O12/c1-14(26)32-13-21-22(34-16(3)28)23(35-17(4)29)24(36-18(5)30)25(37-21)31-12-6-7-19-8-10-20(11-9-19)33-15(2)27/h6-11,21-25H,12-13H2,1-5H3/b7-6-/t21-,22+,23+,24-,25+/m1/s1
SMILES: COC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C23H21NO5/c1-28-17-6-2-4-15(11-17)23(27)29-18-7-3-5-16(12-18)24-21(25)19-13-8-9-14(10-13)20(19)22(24)26/h2-7,11-14,19-20H,8-10H2,1H3/t13-,14-,19-,20-/m0/s1
SMILES: CC(=O)N1CCN(CC1)[C@@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H25N3O3S/c1-17(28)26-13-15-27(16-14-26)24-21-12-6-8-18-7-5-11-20(22(18)21)23(24)25-31(29,30)19-9-3-2-4-10-19/h2-12,23-25H,13-16H2,1H3/t23-,24+/m1/s1
SMILES: CC(C)C(=O)N(C[C@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C26H36N2O8/c1-14(2)26(33)28(12-16-5-4-8-35-16)19-11-18(25(32)27-6-7-29)21-17-9-15(13-30)10-20(34-3)23(17)36-24(21)22(19)31/h9-11,14,16,19,21-22,24,29-31H,4-8,12-13H2,1-3H3,(H,27,32)/t16-,19-,21+,22+,24+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C26H40O5/c1-15(5-10-24(29)30)20-8-9-21-19-7-6-17-13-18(31-16(2)27)11-12-25(17,3)22(19)14-23(28)26(20,21)4/h15,17-22H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
SMILES: CCC/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)O)C
InChI: InChI=1S/C22H34O/c1-3-4-5-16-7-11-21-20-9-6-15-14-17(23)8-10-18(15)19(20)12-13-22(16,21)2/h5,14,17-21,23H,3-4,6-13H2,1-2H3/b16-5-/t17-,18-,19+,20+,21-,22+/m0/s1
SMILES: CCC#CC[C@H](C)[C@@H](/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)/C[C@]2(C[C@H]1O)CNS(=O)(=O)C3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C30H40ClNO6S/c1-3-4-5-8-21(2)27(33)16-15-25-26-17-22(9-6-7-10-29(35)36)18-30(26,19-28(25)34)20-32-39(37,38)24-13-11-23(31)12-14-24/h9,11-16,21,25-28,32-34H,3,6-8,10,17-20H2,1-2H3,(H,35,36)/b16-15+,22-9-/t21-,25+,26+,27+,28+,30-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)C(C)C)N=N2
InChI: InChI=1S/C22H23N5O3/c1-13(2)15-8-10-16(11-9-15)27-21(29)19-20(22(27)30)26(25-24-19)12-18(28)23-17-7-5-4-6-14(17)3/h4-11,13,19-20H,12H2,1-3H3,(H,23,28)/t19-,20+/m1/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)C3=C)O)C
InChI: InChI=1S/C15H20O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h6,8,11-13,16H,2,4-5,7H2,1,3H3/t8-,11-,12-,13+,15-/m1/s1
SMILES: C[C@H]1[C@](OC(=O)CN1C(=O)C2=CC=C(C=C2)C(F)(F)F)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H17Cl2F3N4O3/c1-13-21(10-30-12-28-11-29-30,17-7-6-16(23)8-18(17)24)34-19(32)9-31(13)20(33)14-2-4-15(5-3-14)22(25,26)27/h2-8,11-13H,9-10H2,1H3/t13-,21+/m0/s1
SMILES: C[C@H](C1=CC=C(C=C1)OC)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)OCC(C)C
InChI: InChI=1S/C22H27NO5/c1-13(2)11-27-21(25)18-17-9-10-22(28-17)12-23(20(24)19(18)22)14(3)15-5-7-16(26-4)8-6-15/h5-10,13-14,17-19H,11-12H2,1-4H3/t14-,17-,18+,19+,22-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H16Cl2N2O5/c19-13-6-5-10(7-14(13)20)21-15(23)9-27-16(24)8-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-2,5-7,11-12H,3-4,8-9H2,(H,21,23)/t11-,12+
SMILES: C[C@@H]1CCC2C3[C@]1(C4C=C(C(=O)[C@]4(CC(=C3)COC(=O)CC5=CC(=C(C(=C5)I)O)OC)O)C)O[C@](O2)(CC6=CC=CC=C6)OC(=C)C
InChI: InChI=1S/C37H41IO9/c1-21(2)45-36(19-24-9-7-6-8-10-24)46-29-12-11-23(4)37(47-36)27(29)14-26(18-35(42)31(37)13-22(3)34(35)41)20-44-32(39)17-25-15-28(38)33(40)30(16-25)43-5/h6-10,13-16,23,27,29,31,40,42H,1,11-12,17-20H2,2-5H3/t23-,27?,29?,31?,35-,36-,37-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C(=O)[C@]78CC[C@](C7(C)C)(C(=O)O8)C)O)C(=C5)C(=O)C9=CC=CC=C9C1=CC=CC=C1)O)C
InChI: InChI=1S/C52H59NO6/c1-45(2)48(5)26-29-52(45,59-44(48)57)43(56)53(32-34-14-8-6-9-15-34)33-50(58)25-22-41-47(50,4)24-21-40-46(3)23-20-36(54)30-49(46)27-28-51(40,41)39(31-49)42(55)38-19-13-12-18-37(38)35-16-10-7-11-17-35/h6-19,27-28,31,36,40-41,54,58H,20-26,29-30,32-33H2,1-5H3/t36?,40-,41-,46-,47+,48+,49+,50-,51-,52-/m1/s1
SMILES: CCCCCCCCCCCCCC/C=C/[C@H](C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)O
InChI: InChI=1S/C34H56O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(35)33(36)37-32-27-28(2)25-26-30(32)34(3,4)29-22-19-18-20-23-29/h18-24,28,30-32,35H,5-17,25-27H2,1-4H3/b24-21+/t28-,30-,31-,32-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=CC(=C2C(=O)OC)NC3=CC=C(C=C3)C)C)C(=O)OC
InChI: InChI=1S/C26H29NO5/c1-6-32-20-13-9-18(10-14-20)23-22(25(28)30-4)17(3)15-21(24(23)26(29)31-5)27-19-11-7-16(2)8-12-19/h7-15,22-23,27H,6H2,1-5H3/t22-,23+/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)CN7CCC8(CC7)OCCO8
InChI: InChI=1S/C45H49N3O9/c1-30-39(27-47-20-18-45(19-21-47)54-22-23-55-45)56-43(57-41(30)35-12-10-31(28-49)11-13-35)36-16-14-34(15-17-36)37-9-5-8-33(24-37)26-48-40(50)25-38(42(48)51)46-44(52)53-29-32-6-3-2-4-7-32/h2-17,24,30,38-39,41,43,49H,18-23,25-29H2,1H3,(H,46,52)/t30-,38?,39+,41+,43+/m0/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)CC5=CC=CC=C5)C6=CC(=C(C=C6)O)C
InChI: InChI=1S/C31H27NO5/c1-16-12-19(8-11-24(16)33)26-20-9-10-21-27(22(20)14-23-25(34)13-17(2)29(35)28(23)26)31(37)32(30(21)36)15-18-6-4-3-5-7-18/h3-9,11-13,21-22,26-27,33H,10,14-15H2,1-2H3/t21-,22+,26-,27-/m0/s1
SMILES: C[C@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C
InChI: InChI=1S/C30H44O6/c1-18(15-23-16-19(2)29(34)36-23)24-10-11-25-21(7-5-12-30(24,25)4)8-9-22-17-26(32)28(27(33)20(22)3)35-14-6-13-31/h8-9,18,23-28,31-33H,2-3,5-7,10-17H2,1,4H3/b21-8+,22-9-/t18-,23+,24-,25+,26-,27-,28+,30-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C=NC(=C2O)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H23N3O11/c1-7(22)28-5-11-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)18(32-11)21-6-20-12(16(19)26)17(21)27/h6,11,13-15,18,27H,5H2,1-4H3,(H2,19,26)/t11-,13+,14+,15-,18-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)OC(=O)NCC#C)O
InChI: InChI=1S/C34H33N3O9/c1-4-19-35-33(41)46-30-29(39)27(45-31(30)37-20-18-28(38)36-32(37)40)21-44-34(22-8-6-5-7-9-22,23-10-14-25(42-2)15-11-23)24-12-16-26(43-3)17-13-24/h1,5-18,20,27,29-31,39H,19,21H2,2-3H3,(H,35,41)(H,36,38,40)/t27-,29-,30-,31-/m1/s1
SMILES: CC(=O)O[C@@H]1CCC([C@@H]2[C@@]1([C@@H]3CC[C@@H]4[C@H]([C@@]3([C@@H](C2)O)C(=O)C4=C)O)C)(C)C
InChI: InChI=1S/C22H32O5/c1-11-13-6-7-14-21(5)15(10-16(24)22(14,18(11)25)19(13)26)20(3,4)9-8-17(21)27-12(2)23/h13-17,19,24,26H,1,6-10H2,2-5H3/t13-,14-,15+,16+,17+,19+,21-,22-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)Cl
InChI: InChI=1S/C17H18ClN7O6/c1-8-3-24(17(30)19-14(8)27)13-2-11(12(7-26)31-13)25-5-9(21-22-25)4-23-6-10(18)15(28)20-16(23)29/h3,5-6,11-13,26H,2,4,7H2,1H3,(H,19,27,30)(H,20,28,29)/t11-,12+,13+/m0/s1
SMILES: CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C
InChI: InChI=1S/C18H25NO5S/c1-9(2)24-18(23)14-10(3)11(4)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h9,12-13H,5-8H2,1-4H3,(H,19,20)(H,21,22)/p-1/t12-,13-/m0/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC(C)(C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C5=CSC(=N5)N)SC1)C(=O)O
InChI: InChI=1S/C30H29N5O7S2/c1-16-14-43-26-21(25(37)35(26)22(16)27(38)39)33-24(36)20(19-15-44-29(31)32-19)34-42-30(2,3)28(40)41-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,21,23,26H,14H2,1-3H3,(H2,31,32)(H,33,36)(H,38,39)/b34-20-/t21-,26-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CN2C3=CC=CC=C3C(=C2[C@H]1Cl)C=O
InChI: InChI=1S/C17H19ClN2O3/c1-17(2,3)23-16(22)19-12-8-20-13-7-5-4-6-10(13)11(9-21)15(20)14(12)18/h4-7,9,12,14H,8H2,1-3H3,(H,19,22)/t12-,14-/m0/s1
SMILES: CC(C)(C)NC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N=C(N=C2Cl)OC(=O)C(F)(F)F
InChI: InChI=1S/C34H61ClF3N5O6Si3/c1-30(2,3)42-28-39-21-24(35)40-29(47-27(44)34(36,37)38)41-25(21)43(28)26-23(49-52(17,18)33(10,11)12)22(48-51(15,16)32(7,8)9)20(46-26)19-45-50(13,14)31(4,5)6/h20,22-23,26H,19H2,1-18H3,(H,39,42)/t20-,22-,23-,26-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)COCC2=CC=CC=C2)O
InChI: InChI=1S/C16H24O6/c1-18-14-13(17)12(22-16(20-3)15(14)19-2)10-21-9-11-7-5-4-6-8-11/h4-8,12-17H,9-10H2,1-3H3/t12-,13-,14+,15-,16+/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@@H](C1)O[C@@H]3[C@@H](C[C@]2(C34CO4)C)OC(=O)C)COC(=O)C)OC(=O)C
InChI: InChI=1S/C21H26O9/c1-10-6-15-20(8-26-11(2)22,17(25)16(10)29-13(4)24)19(5)7-14(28-12(3)23)18(30-15)21(19)9-27-21/h14-15,18H,6-9H2,1-5H3/t14-,15-,18-,19-,20-,21?/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)OC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C)C)C
InChI: InChI=1S/C50H85N5O8/c1-30(2)13-11-14-32(5)36-18-19-37-35-17-16-33-28-34(22-24-49(33,9)38(35)23-25-50(36,37)10)62-43(57)29-52-45(59)41-15-12-26-55(41)46(60)40(27-31(3)4)53-44(58)39(20-21-42(51)56)54-47(61)63-48(6,7)8/h30-41H,11-29H2,1-10H3,(H2,51,56)(H,52,59)(H,53,58)(H,54,61)/t32-,33?,34?,35+,36-,37+,38+,39+,40+,41+,49+,50-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(C[C@@H]2COC(O2)(C)C)C(=O)C3=CC(=NN3C)C
InChI: InChI=1S/C19H29N3O5/c1-6-25-18(24)15-8-13(15)9-22(10-14-11-26-19(3,4)27-14)17(23)16-7-12(2)20-21(16)5/h7,13-15H,6,8-11H2,1-5H3/t13-,14-,15+/m1/s1
SMILES: CC1([C@@]2([C@@H]3CC=C[C@@H]3[C@]1(N=N2)C4=CC=CC=C4)C(Cl)Cl)C
InChI: InChI=1S/C17H18Cl2N2/c1-15(2)16(11-7-4-3-5-8-11)12-9-6-10-13(12)17(15,14(18)19)21-20-16/h3-9,12-14H,10H2,1-2H3/t12-,13+,16+,17+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O)O)C(=C5)C(=O)C8CCCCC8)O)C
InChI: InChI=1S/C40H54ClNO4/c1-35-15-12-30(43)24-37(35)18-19-40(31(25-37)34(44)27-6-4-3-5-7-27)32(35)13-16-36(2)33(40)14-17-39(36,46)26-42-22-20-38(45,21-23-42)28-8-10-29(41)11-9-28/h8-11,18-19,25,27,30,32-33,43,45-46H,3-7,12-17,20-24,26H2,1-2H3/t30?,32-,33-,35-,36+,37+,39-,40-/m1/s1
SMILES: C[C@]1([C@]2([C@@]1(C3(N=C2N)OCCO3)C#N)C#N)CC4=CC=CC=C4
InChI: InChI=1S/C17H16N4O2/c1-14(9-12-5-3-2-4-6-12)15(10-18)13(20)21-17(16(14,15)11-19)22-7-8-23-17/h2-6H,7-9H2,1H3,(H2,20,21)/t14-,15+,16-/m1/s1
SMILES: C[C@@]12CC[C@]3(C(=CC=C4[C@@]3(CC[C@@H]5[C@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C
InChI: InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9-10,21-22,24,31H,11-19H2,1-8H3/t21-,22-,24-,27+,28+,29-,30-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)OC4=CC5=CC=CC=C5C=C4)C
InChI: InChI=1S/C22H24O7/c1-21(2)26-15-16(27-21)18-20(29-22(3,4)28-18)25-17(15)19(23)24-14-10-9-12-7-5-6-8-13(12)11-14/h5-11,15-18,20H,1-4H3/t15-,16+,17-,18-,20+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H20ClN3O4/c19-12-5-3-4-11(10-12)16(24)21-20-15(23)8-9-22-17(25)13-6-1-2-7-14(13)18(22)26/h3-5,10,13-14H,1-2,6-9H2,(H,20,23)(H,21,24)/t13-,14-/m0/s1
SMILES: CC(=O)OC[C@]12CO[C@@]3([C@]1(C[C@H]2[C@@H](C3)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C16H22O7/c1-9(17)20-7-15-8-21-14(4)6-13(22-10(2)18)12(15)5-16(14,15)23-11(3)19/h12-13H,5-8H2,1-4H3/t12-,13+,14-,15+,16-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2[C@H]4CC(=O)[C@@H]5[C@H]4[C@H]35
InChI: InChI=1S/C13H14O/c14-8-4-7-9-5-1-2-6(3-5)10(9)13-11(7)12(8)13/h1-2,5-7,9-13H,3-4H2/t5-,6+,7+,9+,10+,11-,12+,13-/m0/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)F)N)OS(=O)(=O)C(F)(F)F)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C23H37F4N5O7SSi2/c1-11(2)41(12(3)4)35-9-15-17(38-42(39-41,13(5)6)14(7)8)18(37-40(33,34)23(25,26)27)21(36-15)32-10-29-16-19(28)30-22(24)31-20(16)32/h10-15,17-18,21H,9H2,1-8H3,(H2,28,30,31)/t15-,17-,18-,21-/m1/s1