EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1/C=C/CC(=O)OC[C@H]([C@H](/C=C/CC(=O)OC[C@H]1NS(=O)(=O)C2=CC=C(C=C2)C)C)OC
InChI: InChI=1S/C24H33NO7S/c1-17-11-13-20(14-12-17)33(28,29)25-21-15-31-23(26)10-6-8-19(3)22(30-4)16-32-24(27)9-5-7-18(21)2/h5-8,11-14,18-19,21-22,25H,9-10,15-16H2,1-4H3/b7-5+,8-6+/t18-,19+,21-,22-/m1/s1
SMILES: C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6[125I])OC(=O)C)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
InChI: InChI=1S/C39H41IO10/c1-21(2)37-17-23(4)39-28(35(37)48-38(49-37,50-39)19-25-10-8-7-9-11-25)13-26(18-36(44)32(39)12-22(3)34(36)43)20-46-33(42)15-27-14-30(45-6)31(16-29(27)40)47-24(5)41/h7-14,16,23,28,32,35,44H,1,15,17-20H2,2-6H3/t23-,28+,32-,35-,36-,37-,38?,39-/m1/s1/i40-2
SMILES: C1[C@@H]([C@@H]([C@@H]([C@H](N1)NC(=O)C(F)(F)F)O)O)C(=O)O
InChI: InChI=1S/C8H11F3N2O5/c9-8(10,11)7(18)13-5-4(15)3(14)2(1-12-5)6(16)17/h2-5,12,14-15H,1H2,(H,13,18)(H,16,17)/t2-,3-,4-,5+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@](O2)(CBr)C3=CC=CC=C3
InChI: InChI=1S/C16H13BrO2/c17-11-16(13-9-5-2-6-10-13)15(19-16)14(18)12-7-3-1-4-8-12/h1-10,15H,11H2/t15-,16-/m1/s1
SMILES: CC1=CC2=C(C(=C1)Cl)NC(=O)[C@@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)O)C(=O)N(C4=O)CCC5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C27H28ClN3O7/c1-13-10-15-23(16(28)11-13)29-26(36)27(15)22-21(17(30-27)5-7-20(32)33)24(34)31(25(22)35)9-8-14-4-6-18(37-2)19(12-14)38-3/h4,6,10-12,17,21-22,30H,5,7-9H2,1-3H3,(H,29,36)(H,32,33)/t17-,21-,22+,27+/m1/s1
SMILES: C1=CC=C(C=C1)CN2[C@H]([C@H](C2=O)OC3=CC=CC=C3)[C@H](CO)N
InChI: InChI=1S/C18H20N2O3/c19-15(12-21)16-17(23-14-9-5-2-6-10-14)18(22)20(16)11-13-7-3-1-4-8-13/h1-10,15-17,21H,11-12,19H2/t15-,16-,17+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@]2([C@@H](OC(=O)O[C@@H]2C(=O)[C@@H]3C[C@@H](C(=C1C3(C)C)C)O[Si](C)(C)C(C)(C)C)CCC=C)C
InChI: InChI=1S/C33H58O6Si2/c1-14-18-19-26-33(11)21-25(39-41(15-2,16-3)17-4)27-22(5)24(38-40(12,13)31(6,7)8)20-23(32(27,9)10)28(34)29(33)37-30(35)36-26/h14,23-26,29H,1,15-21H2,2-13H3/t23-,24-,25+,26-,29+,33+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCSC6=CC=CC=C6)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)C=CC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C59H63N3O11S/c1-2-31-71-59-55(61(38-43-21-26-53-54(34-43)70-40-69-53)56(65)28-22-41-19-23-45(24-20-41)62(66)67)37-51(60-72-39-42-13-5-3-6-14-42)49-35-44(15-9-11-29-63)48(18-10-12-30-64)57(58(49)59)50-36-46(25-27-52(50)73-59)68-32-33-74-47-16-7-4-8-17-47/h2-8,13-14,16-17,19-28,34-36,44,48,55,57-58,63-64H,1,9-12,15,18,29-33,37-40H2/t44-,48+,55-,57+,58+,59+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(C[C@H]([C@@H](C5)O)O)C=O
InChI: InChI=1S/C23H32O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16-,17+,18+,19+,21+,22+,23-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCC2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C56H67NO13Si/c1-38(58)57-45-47(46(62-33-39-23-13-8-14-24-39)44(37-66-71(6,7)56(2,3)4)67-54(45)65-36-42-29-19-11-20-30-42)69-55-51(68-52(59)43-31-21-12-22-32-43)49(64-35-41-27-17-10-18-28-41)48(50(70-55)53(60)61-5)63-34-40-25-15-9-16-26-40/h8-32,44-51,54-55H,33-37H2,1-7H3,(H,57,58)/t44-,45-,46+,47-,48+,49+,50+,51-,54-,55-/m1/s1
SMILES: C[C@@H]1CCCC(=O)[C@@H](C[C@@H](C([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C
InChI: InChI=1S/C40H67NO15/c1-21(2)17-30(45)54-38-25(6)51-32(20-40(38,8)48)55-35-24(5)52-39(34(47)33(35)41(9)10)56-36-27(15-16-42)18-22(3)28(44)14-12-13-23(4)50-31(46)19-29(37(36)49-11)53-26(7)43/h16,21-25,27,29,32-39,47-48H,12-15,17-20H2,1-11H3/t22-,23-,24-,25+,27+,29-,32+,33-,34-,35-,36?,37+,38+,39+,40-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)NC)N)C(=O)O)C.O.O.O
InChI: InChI=1S/C21H27N5O7S.3H2O/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3;;;/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33);3*1H2/t11-,13+,14+,15-,19+;;;/m0.../s1
SMILES: CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC2=C(C=C(C=C2)F)F
InChI: InChI=1S/C18H21F2NO3/c1-3-11(2)24-18(23)14-7-5-4-6-13(14)17(22)21-16-9-8-12(19)10-15(16)20/h4-5,8-11,13-14H,3,6-7H2,1-2H3,(H,21,22)/t11-,13+,14+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](NC2(C)C)C3=CC=CC=C3[C@H]4[C@]56CC[C@H](O5)C[C@@H]6C(=O)N4C7=CC=CC=C7
InChI: InChI=1S/C31H38N2O3/c1-19-13-14-24-26(17-19)35-28(32-30(24,2)3)23-12-8-7-11-22(23)27-31-16-15-21(36-31)18-25(31)29(34)33(27)20-9-5-4-6-10-20/h4-12,19,21,24-28,32H,13-18H2,1-3H3/t19-,21+,24-,25-,26-,27+,28+,31-/m1/s1
SMILES: C[C@@H]1[C@@H](CO[C@@H](O1)C[C@@H]2OC[C@@H]([C@@H](O2)C)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H30N2O6/c1-16-20(26-24(28)18-9-5-3-6-10-18)14-30-22(32-16)13-23-31-15-21(17(2)33-23)27-25(29)19-11-7-4-8-12-19/h3-12,16-17,20-23H,13-15H2,1-2H3,(H,26,28)(H,27,29)/t16-,17+,20-,21+,22+,23-
SMILES: CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)CCCC(=O)OC=C)C
InChI: InChI=1S/C19H28O9/c1-6-22-12(20)8-7-9-13(21)24-15-14(11-10-23-18(2,3)26-11)25-17-16(15)27-19(4,5)28-17/h6,11,14-17H,1,7-10H2,2-5H3/t11?,14-,15+,16-,17-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(ON=C2C3=CC=CC=C3)C
InChI: InChI=1S/C20H24N2O4/c1-13-8-6-7-11-16(13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H,21,23)/t13-,16-/m0/s1
SMILES: CCOCC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C29H33FN2O8/c1-3-39-16-24(35)32(9-7-17-5-4-6-19(30)11-17)22-14-21(29(37)31-8-10-33)25-20-12-18(15-34)13-23(38-2)27(20)40-28(25)26(22)36/h4-6,11-15,22,25-26,28,33,36H,3,7-10,16H2,1-2H3,(H,31,37)/t22-,25+,26+,28+/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N(C)[C@H](CC9=CC=CC=C9)C(=O)NCCO)C
InChI: InChI=1S/C50H51N3O12/c1-48(2)30-60-46(58)43(48)62-38(55)24-23-31-19-21-33(22-20-31)29-53-41-45(57)61-37-28-49(41,47(59)52(3)36(44(56)51-25-26-54)27-32-13-7-4-8-14-32)42(65-53)40-39(37)63-50(64-40,34-15-9-5-10-16-34)35-17-11-6-12-18-35/h4-24,36-37,39-43,54H,25-30H2,1-3H3,(H,51,56)/t36-,37-,39+,40+,41+,42-,43+,49+/m1/s1
SMILES: CCNC1=C2C(=NC=N1)N(C(=N2)SCC3=CC=CC=C3)[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O
InChI: InChI=1S/C19H22N5O6PS/c1-2-20-16-13-17(22-10-21-16)24(19(23-13)32-9-11-6-4-3-5-7-11)18-14(25)15-12(29-18)8-28-31(26,27)30-15/h3-7,10,12,14-15,18,25H,2,8-9H2,1H3,(H,26,27)(H,20,21,22)/t12-,14-,15-,18-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]23[C@@H](C1(C)C)[C@@H](C[C@]4(C2=C[C@@]5([C@@]6([C@]4([C@@H]([C@@]([C@@H]6OC(=O)C)(O5)C)O)C(=O)OC)C)C)C)OC3=O
InChI: InChI=1S/C30H40O10/c1-14(31)37-18-10-11-29-17-13-26(6)28(8)21(38-15(2)32)27(7,40-26)20(33)30(28,23(35)36-9)25(17,5)12-16(39-22(29)34)19(29)24(18,3)4/h13,16,18-21,33H,10-12H2,1-9H3/t16-,18+,19-,20-,21+,25+,26-,27+,28-,29-,30-/m1/s1
SMILES: C1CC1C2(O[C@H]3[C@H]4C[C@]5([C@@H]([C@H]3O2)ON([C@H]5C(=O)O4)CC6=CC=CC=C6C=CCC7=CC=CC=C7O)C(=O)NCCC(=O)NCCO)C8CC8
InChI: InChI=1S/C37H43N3O9/c41-19-18-38-29(43)16-17-39-35(45)36-20-28-30-31(48-37(47-30,25-12-13-25)26-14-15-26)33(36)49-40(32(36)34(44)46-28)21-24-8-2-1-6-22(24)9-5-10-23-7-3-4-11-27(23)42/h1-9,11,25-26,28,30-33,41-42H,10,12-21H2,(H,38,43)(H,39,45)/t28-,30+,31+,32+,33-,36+/m1/s1
SMILES: CC(C)C1=C(C2=C(C(=C1O)O)[C@]3(CCCC([C@@H]3C(=O)C2=O)(C)C)C)O
InChI: InChI=1S/C20H26O5/c1-9(2)10-13(21)11-12(16(24)14(10)22)20(5)8-6-7-19(3,4)18(20)17(25)15(11)23/h9,18,21-22,24H,6-8H2,1-5H3/t18-,20+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)N4C(=O)C5=CC=CC=C5C4=O)C
InChI: InChI=1S/C23H22N2O6/c1-23(2)30-12-17(31-23)18-19(22(28)24(18)13-8-10-14(29-3)11-9-13)25-20(26)15-6-4-5-7-16(15)21(25)27/h4-11,17-19H,12H2,1-3H3/t17-,18-,19-/m1/s1
SMILES: CC1=C2CC(=O)[C@H]3CCC[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C
InChI: InChI=1S/C43H53NO12/c1-24-29-21-30(46)28-19-14-20-32-42(23-52-32,55-25(2)45)33(28)36(54-37(48)27-17-12-9-13-18-27)43(51,41(29,6)7)22-31(24)53-38(49)35(47)34(26-15-10-8-11-16-26)44-39(50)56-40(3,4)5/h8-13,15-18,28,31-36,47,51H,14,19-23H2,1-7H3,(H,44,50)/t28-,31+,32-,33-,34+,35-,36+,42+,43-/m1/s1
SMILES: CC(C)NC(=O)NCC1C[C@@H]2[C@H](O1)[C@H]([C@@H]([C@H](O2)CO)OC(=O)C3=CC=C(C=C3)F)OCC4=CC=CC=C4
InChI: InChI=1S/C27H33FN2O7/c1-16(2)30-27(33)29-13-20-12-21-23(35-20)25(34-15-17-6-4-3-5-7-17)24(22(14-31)36-21)37-26(32)18-8-10-19(28)11-9-18/h3-11,16,20-25,31H,12-15H2,1-2H3,(H2,29,30,33)/t20?,21-,22-,23+,24-,25-/m1/s1
SMILES: CC12[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI: InChI=1S/C28H23NO4/c1-27-18-11-4-6-13-20(18)28(2,21-14-7-5-12-19(21)27)23-22(27)24(30)29(25(23)31)17-10-8-9-16(15-17)26(32)33-3/h4-15,22-23H,1-3H3/t22-,23-,27?,28?/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C17H21NO4/c1-22-13-8-6-12(7-9-13)18-16(19)14-10-2-4-11(5-3-10)15(14)17(20)21/h6-11,14-15H,2-5H2,1H3,(H,18,19)(H,20,21)/p-1/t10?,11?,14-,15+/m0/s1
SMILES: C1[C@H]([C@H](OCO1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(Cl)Cl
InChI: InChI=1S/C12H12Cl2N2O5/c13-11(14)12(17)15-9-5-20-6-21-10(9)7-1-3-8(4-2-7)16(18)19/h1-4,9-11H,5-6H2,(H,15,17)/t9-,10-/m1/s1
SMILES: C1CC[C@]2([C@@H](C1)OCC3=CC(=O)C=C(C3=O)CO[C@H]4CCCC[C@]4(OCCOCCO2)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C36H42O7/c37-31-23-27-25-40-32-15-7-9-17-35(32,29-11-3-1-4-12-29)42-21-19-39-20-22-43-36(30-13-5-2-6-14-30)18-10-8-16-33(36)41-26-28(24-31)34(27)38/h1-6,11-14,23-24,32-33H,7-10,15-22,25-26H2/t32-,33+,35-,36+
SMILES: CC1(C[C@@]23[C@H]4C[C@H]5[C@H]2[C@H]5C=C[C@H]4C=C3C1O)C
InChI: InChI=1S/C16H20O/c1-15(2)7-16-11-6-10-9(13(10)16)4-3-8(11)5-12(16)14(15)17/h3-5,8-11,13-14,17H,6-7H2,1-2H3/t8-,9-,10+,11-,13+,14?,16-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=CC(=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-6-5-7-17(13(12)2)20-18(21)11-25-19(22)14-8-15(23-3)10-16(9-14)24-4/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,20,21)/t12-,13+,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CF)O
InChI: InChI=1S/C11H15FN2O5/c1-5-3-14(11(18)13-9(5)17)10-8(16)6(2-12)7(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7-,8-,10-/m1/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](C(CCO2)C3(CCN(CC3)C(C)C)O)C4=CC=CC=C4
InChI: InChI=1S/C29H35F6NO3/c1-18(2)36-12-10-27(37,11-13-36)24-9-14-38-26(25(24)20-7-5-4-6-8-20)39-19(3)21-15-22(28(30,31)32)17-23(16-21)29(33,34)35/h4-8,15-19,24-26,37H,9-14H2,1-3H3/t19-,24?,25-,26-/m1/s1
SMILES: COC1=C(C=C(C=C1)/C=C/2\CO[C@@H]([C@H]2CO)C3=CC(=C(C(=C3)OC)OC)OC)OC
InChI: InChI=1S/C23H28O7/c1-25-18-7-6-14(9-19(18)26-2)8-16-13-30-22(17(16)12-24)15-10-20(27-3)23(29-5)21(11-15)28-4/h6-11,17,22,24H,12-13H2,1-5H3/b16-8+/t17-,22+/m0/s1
SMILES: CNC(=O)CN(C)C(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C16H21N3O6/c1-17-12(20)7-18(2)13(21)9-25-14(22)8-19-15(23)10-5-3-4-6-11(10)16(19)24/h3-4,10-11H,5-9H2,1-2H3,(H,17,20)/t10-,11-/m0/s1
SMILES: CC1=CC(=CC(=C1OCCO)C)CNC(=O)C2=C3C[C@@H]4[C@H](C3=C(S2)C)C4(C)C
InChI: InChI=1S/C23H29NO3S/c1-12-8-15(9-13(2)20(12)27-7-6-25)11-24-22(26)21-16-10-17-19(23(17,4)5)18(16)14(3)28-21/h8-9,17,19,25H,6-7,10-11H2,1-5H3,(H,24,26)/t17-,19-/m1/s1
SMILES: C1CC2C(O2)CC1C=CC3=CC=CC(=C3)CN4[C@H]5C(=O)O[C@@H]6C[C@]5([C@H](O4)[C@@H]7[C@H]6OC8(O7)CC9=CC=CC=C9C8)C(=O)NCCC(=O)NCCO
InChI: InChI=1S/C38H43N3O9/c42-15-14-39-30(43)12-13-40-36(45)38-20-29-31-32(49-37(48-31)18-25-6-1-2-7-26(25)19-37)34(38)50-41(33(38)35(44)47-29)21-24-5-3-4-22(16-24)8-9-23-10-11-27-28(17-23)46-27/h1-9,16,23,27-29,31-34,42H,10-15,17-21H2,(H,39,43)(H,40,45)/t23?,27?,28?,29-,31+,32+,33+,34-,38+/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=S)N1C(=O)[C@@H](C)[C@@H](CCCCOCC2=CC=CC=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C25H31NO4S/c1-18(22(27)15-9-10-16-29-17-20-11-5-3-6-12-20)24(28)26-19(2)23(30-25(26)31)21-13-7-4-8-14-21/h3-8,11-14,18-19,22-23,27H,9-10,15-17H2,1-2H3/t18-,19+,22+,23+/m0/s1
SMILES: C[C@H]1[C@@H](O[C@@H]([C@@H]([C@H]1O)C)SC2=CC=CC=C2)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O
InChI: InChI=1S/C39H61NO7S/c1-10-11-15-25(4)37(47-39(40)45)29(8)35(43)27(6)21-23(2)20-26(5)34(42)24(3)18-19-31(41)22-33-28(7)36(44)30(9)38(46-33)48-32-16-13-12-14-17-32/h10-20,24-31,33-38,41-44H,1,21-22H2,2-9H3,(H2,40,45)/b15-11-,19-18-,23-20-/t24-,25-,26-,27-,28-,29-,30+,31+,33-,34-,35+,36-,37-,38+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCCCCCCCC=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H38O10/c1-6-7-8-9-10-11-12-13-14-29-24-23(33-19(5)28)22(32-18(4)27)21(31-17(3)26)20(34-24)15-30-16(2)25/h6,20-24H,1,7-15H2,2-5H3/t20-,21+,22+,23-,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=C(C=C3)OC)F
InChI: InChI=1S/C19H23FN2O5/c1-12-5-3-4-8-19(12)17(24)22(18(25)21-19)10-16(23)27-11-13-6-7-15(26-2)14(20)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,21,25)/t12-,19+/m1/s1
SMILES: CC(=C(CO)CO)CC/C=C(\C)/C(=O)O[C@]1([C@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]3C=CC[C@H]3C=CO2)O)O)O)CO
InChI: InChI=1S/C25H36O11/c1-14(17(11-26)12-27)5-3-6-15(2)22(32)35-25(13-28)21(31)19(29)20(30)24(36-25)34-23-18-8-4-7-16(18)9-10-33-23/h4,6,8-10,16,18-21,23-24,26-31H,3,5,7,11-13H2,1-2H3/b15-6+/t16-,18-,19+,20+,21-,23?,24-,25+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC(C(=O)C4(C)C)C#N)C)C)C
InChI: InChI=1S/C31H49NO/c1-20(2)10-9-11-21(3)23-14-16-31(8)25-12-13-26-28(4,5)27(33)22(19-32)18-29(26,6)24(25)15-17-30(23,31)7/h20-23,26H,9-18H2,1-8H3/t21-,22?,23-,26+,29-,30-,31+/m1/s1
SMILES: C[C@@H]1[C@H](OC2=CC(=C(C=C12)NS(=O)(=O)C3=CC=CC=C3)OC)C4=CC=C(C=C4)C
InChI: InChI=1S/C23H23NO4S/c1-15-9-11-17(12-10-15)23-16(2)19-13-20(22(27-3)14-21(19)28-23)24-29(25,26)18-7-5-4-6-8-18/h4-14,16,23-24H,1-3H3/t16-,23-/m0/s1
SMILES: C1=CC=C(C=C1)CNC2=NC(=C3C(=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(F)(F)F
InChI: InChI=1S/C18H18F3N5O4/c19-18(20,21)14-11-15(25-17(24-14)22-6-9-4-2-1-3-5-9)26(8-23-11)16-13(29)12(28)10(7-27)30-16/h1-5,8,10,12-13,16,27-29H,6-7H2,(H,22,24,25)/t10-,12-,13-,16?/m1/s1
SMILES: C1C[C@H]2[C@H]3[C@@H]4[C@@H]1O[C@@H]5[C@H]4C6([C@H]3[C@H](O2)S5)CC6
InChI: InChI=1S/C13H16O2S/c1-2-6-8-7-5(1)14-11-9(7)13(3-4-13)10(8)12(15-6)16-11/h5-12H,1-4H2/t5-,6+,7-,8-,9+,10-,11+,12-/m0/s1
SMILES: CC1([C@@H]2C[C@]34[C@H](CCN3C[C@@]2(CC5=C1N(C6=C5C=CC7=C6OCC(C(O7)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)N(C4=O)C)O)C
InChI: InChI=1S/C38H57N3O7Si/c1-33(2,3)47-32(44)41-28-22(14-15-24-29(28)45-20-27(36(9,10)46-24)48-49(12,13)34(4,5)6)23-18-37-21-40-17-16-26(42)38(40,31(43)39(37)11)19-25(37)35(7,8)30(23)41/h14-15,25-27,42H,16-21H2,1-13H3/t25-,26-,27?,37+,38+/m0/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=CO5)NC(=O)OCC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C7CC7
InChI: InChI=1S/C45H55NO16/c1-22(2)20-57-41(54)46-32(27-14-11-17-56-27)33(49)40(53)59-28-19-45(55)37(61-39(52)25-12-9-8-10-13-25)35-43(7,29(48)18-30-44(35,21-58-30)62-24(4)47)36(50)34(60-38(51)26-15-16-26)31(23(28)3)42(45,5)6/h8-14,17,22,26,28-30,32-35,37,48-49,55H,15-16,18-21H2,1-7H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35?,37-,43+,44-,45+/m0/s1
SMILES: C[C@@]12CCC3[C@@](C1CC[C@]4([C@H]2/C=C/C5=COC(=C5)[Si](C)(C)C)CO4)(CCCC3(C)C)C
InChI: InChI=1S/C28H44O2Si/c1-25(2)13-8-14-26(3)21(25)11-15-27(4)22(26)12-16-28(19-30-28)23(27)10-9-20-17-24(29-18-20)31(5,6)7/h9-10,17-18,21-23H,8,11-16,19H2,1-7H3/b10-9+/t21?,22?,23-,26-,27+,28+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C34H40OPSi.CHF3O3S/c1-34(2,3)37(4,5)35-30-24-31(33-26-22-21-25(23-26)32(30)33)36(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29;2-1(3,4)8(5,6)7/h6-22,24-26,31-33H,23H2,1-5H3;(H,5,6,7)/q+1;/p-1/t25-,26+,31?,32+,33-;/m1./s1
SMILES: CC(C)[C@@H]1CC[C@]2(C1C3CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CC6=C(C5(C)C)NC7=CC=CC=C67)C)C)C(=O)O
InChI: InChI=1S/C36H51NO2/c1-21(2)22-14-17-36(31(38)39)19-18-34(6)25(29(22)36)12-13-28-33(5)20-24-23-10-8-9-11-26(23)37-30(24)32(3,4)27(33)15-16-35(28,34)7/h8-11,21-22,25,27-29,37H,12-20H2,1-7H3,(H,38,39)/t22-,25?,27?,28?,29?,33-,34+,35+,36-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)N(C2=O)COC(=O)CN)F)CO)OCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H21ClFN3O7/c20-12-3-1-11(2-4-12)9-29-14-5-16(31-15(14)8-25)23-7-13(21)18(27)24(19(23)28)10-30-17(26)6-22/h1-4,7,14-16,25H,5-6,8-10,22H2/t14-,15+,16+/m0/s1
SMILES: CCOC(=O)[C@H](C)[C@H]1[C@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C22H22BrNO5/c1-3-28-21(26)13(2)18-16-11-15(23)9-10-17(16)29-22(27)19(18)20(25)24-12-14-7-5-4-6-8-14/h4-11,13,18-19H,3,12H2,1-2H3,(H,24,25)/t13-,18-,19+/m1/s1
SMILES: CC(=CC[C@@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)CNC4=CC(=C(C=C4)OC)C#N)OC)C
InChI: InChI=1S/C26H34N2O6/c1-16(2)6-9-21-25(3,34-21)24-23(31-5)20(10-11-26(24)15-32-26)33-22(29)14-28-18-7-8-19(30-4)17(12-18)13-27/h6-8,12,20-21,23-24,28H,9-11,14-15H2,1-5H3/t20-,21-,23-,24-,25-,26+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C
InChI: InChI=1S/C21H29N5O2S/c1-13-7-6-10-16(14(13)2)23-21(29)25-24-19(27)12-11-18-22-17-9-5-4-8-15(17)20(28)26(18)3/h4-5,8-9,13-14,16H,6-7,10-12H2,1-3H3,(H,24,27)(H2,23,25,29)/t13-,14+,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CCC[C@@H]4NC(=O)C)C)O)OC(=O)C)C
InChI: InChI=1S/C31H53NO4/c1-19(2)10-8-11-20(3)24-13-14-25-23-18-28(36-22(5)34)31(35)27(32-21(4)33)12-9-16-30(31,7)26(23)15-17-29(24,25)6/h19-20,23-28,35H,8-18H2,1-7H3,(H,32,33)/t20-,23-,24-,25-,26-,27+,28-,29-,30-,31-/m1/s1
SMILES: CC[C@H]1[C@@H](N[C@@H](C[C@@]1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/t23-,24-,25-,26+/m0/s1
SMILES: CC1=C([C@@]2(C(=O)C(=C3CC[C@@H]4[C@@]3([C@@]2(C[C@H]5[C@H]4C[C@@H]6[C@]7([C@@]5(C(=O)C=CC7)C)O6)O)C)C)OC1=O)C
InChI: InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1
SMILES: CCN(CC)[C@@H]1CC[C@@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)SC)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C28H36F3N3O4S2/c1-4-34(5-2)22-9-14-25(20(16-22)18-40(37,38)24-12-10-23(39-3)11-13-24)33-26(35)17-32-27(36)19-7-6-8-21(15-19)28(29,30)31/h6-8,10-13,15,20,22,25H,4-5,9,14,16-18H2,1-3H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C23H37N3O3/c1-17-6-5-7-20(18(17)2)24-23(27)16-26-12-10-25(11-13-26)15-19-8-9-21(28-3)22(14-19)29-4/h8-9,14,17-18,20H,5-7,10-13,15-16H2,1-4H3,(H,24,27)/p+2/t17-,18+,20+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)NC(=O)C)O
InChI: InChI=1S/C25H44N6O11/c1-10(2)8-15(24(41)31-18(11(3)33)22(26)39)29-23(40)14(27-12(4)34)6-7-17(36)30-25-19(28-13(5)35)21(38)20(37)16(9-32)42-25/h10-11,14-16,18-21,25,32-33,37-38H,6-9H2,1-5H3,(H2,26,39)(H,27,34)(H,28,35)(H,29,40)(H,30,36)(H,31,41)/t11-,14+,15+,16-,18+,19-,20-,21-,25-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@]23CC[C@H](C[C@@H]2N(CC3)CC4=CC=CC=C4)NC(=S)NCC5CC5)OC.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C28H37N3O2S.C2HF3O2/c1-32-24-11-10-22(16-25(24)33-2)28-13-12-23(30-27(34)29-18-20-8-9-20)17-26(28)31(15-14-28)19-21-6-4-3-5-7-21;3-2(4,5)1(6)7/h3-7,10-11,16,20,23,26H,8-9,12-15,17-19H2,1-2H3,(H2,29,30,34);(H,6,7)/t23-,26+,28+;/m1./s1
SMILES: C1CC23CCC1[C@H]([C@H]2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)N
InChI: InChI=1S/C17H18N2O3/c18-14(20)12-10-6-8-17(9-7-10)13(12)15(21)19(16(17)22)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H2,18,20)/t10?,12-,13+,17?/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)CCC(=O)[O-]
InChI: InChI=1S/C18H22N2O5S2/c1-11(2)12-3-5-13(6-4-12)20-14-9-27(24,25)10-15(14)26-18(20)19-16(21)7-8-17(22)23/h3-6,11,14-15H,7-10H2,1-2H3,(H,22,23)/p-1/t14-,15+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3
InChI: InChI=1S/C23H29N3O4/c1-13-6-4-7-18(14(13)2)25-21(27)15(3)30-23(29)16-9-10-17-19(12-16)24-20-8-5-11-26(20)22(17)28/h9-10,12-15,18H,4-8,11H2,1-3H3,(H,25,27)/t13-,14+,15+,18-/m0/s1
SMILES: CCCCOP(=O)(OCCCC)OC1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C(C)(C)C
InChI: InChI=1S/C40H55O10P/c1-6-8-25-46-51(42,47-26-9-7-2)50-38-37(49-39(41)40(3,4)5)36(45-29-33-23-17-12-18-24-33)35(44-28-32-21-15-11-16-22-32)34(48-38)30-43-27-31-19-13-10-14-20-31/h10-24,34-38H,6-9,25-30H2,1-5H3/t34-,35-,36+,37-,38?/m1/s1
SMILES: CC1([C@@H]([C@H](C(C1=O)(C)C)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI: InChI=1S/C21H24O/c1-20(2)17(15-11-7-5-8-12-15)18(21(3,4)19(20)22)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/t17-,18-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C44H35ClF6N4O6S/c1-5-61-31-8-6-7-26(36(31)56)35-24-10-11-25-34(40(59)54(38(25)57)23-14-20(43(46,47)48)13-21(15-23)44(49,50)51)28(24)17-29-39(58)55(41(60)42(29,35)3)33-18-30(52-53(33)4)37-19(2)27-16-22(45)9-12-32(27)62-37/h6-10,12-16,18,25,28-29,34-35,56H,5,11,17H2,1-4H3/t25-,28+,29-,34-,35+,42+/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C(=C(C5=O)C)C)C)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C33H32ClNO5/c1-15-12-19(13-16(2)28(15)36)27-22-10-11-23-26(32(40)35(31(23)39)21-8-6-20(34)7-9-21)24(22)14-25-29(37)17(3)18(4)30(38)33(25,27)5/h6-10,12-13,23-27,36H,11,14H2,1-5H3/t23-,24+,25-,26-,27-,33+/m0/s1
SMILES: CO.C1[C@@H]([C@H](C([C@H](N1)CO)(O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C12H23NO10.CH4O/c14-2-5-7(17)8(18)9(19)11(22-5)23-12(21)6(3-15)13-1-4(16)10(12)20;1-2/h4-11,13-21H,1-3H2;2H,1H3/t4-,5+,6+,7+,8-,9+,10+,11-,12?;/m0./s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=C(C=C2)CC(=O)N3CCOCC3)NC(=O)OC(C)(C)C)O)O
InChI: InChI=1S/C36H54N4O8.C10H13N5O4/c1-35(2,3)47-33(44)38-28(20-25-10-8-7-9-11-25)30(41)23-37-24-31(42)29(39-34(45)48-36(4,5)6)21-26-12-14-27(15-13-26)22-32(43)40-16-18-46-19-17-40;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h7-15,28-31,37,41-42H,16-24H2,1-6H3,(H,38,44)(H,39,45);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t28-,29-,30+,31+;6-,7+,8+/m00/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(C[C@@H]1[N+](C)(C)C)C)C
InChI: InChI=1S/C24H40NO3/c1-15(26)28-21-13-16-7-8-17-18-9-10-22(27)23(18,2)12-11-19(17)24(16,3)14-20(21)25(4,5)6/h16-21H,7-14H2,1-6H3/q+1/t16-,17-,18-,19-,20-,21-,23-,24-/m0/s1
SMILES: CCC/C(=C/[C@H]([C@@H]1C[C@@H](CC[C@H]1C(C)C)C)OC(=O)N)/C
InChI: InChI=1S/C18H33NO2/c1-6-7-13(4)11-17(21-18(19)20)16-10-14(5)8-9-15(16)12(2)3/h11-12,14-17H,6-10H2,1-5H3,(H2,19,20)/b13-11+/t14-,15+,16-,17-/m1/s1
SMILES: C1CN(CCN1CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C4=NC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C19H21F3N4O2/c20-19(21,22)13-5-6-16(23-11-13)25-9-7-24(8-10-25)12-26-17(27)14-3-1-2-4-15(14)18(26)28/h1-2,5-6,11,14-15H,3-4,7-10,12H2/t14-,15-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@](C1)(CC[C@@H]2O)[C@@H](CC3(C)C)O
InChI: InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O)N3C(=NN=N3)SCC4=CC=CO4
InChI: InChI=1S/C12H14N4O4S/c17-9-5-20-10-8(4-19-11(9)10)16-12(13-14-15-16)21-6-7-2-1-3-18-7/h1-3,8-11,17H,4-6H2/t8-,9+,10+,11+/m0/s1
SMILES: C[C@@H]1C=C(CCN1C(=O)OCC=C)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O[Si](C)(C)C)C(=O)OCC=C
InChI: InChI=1S/C29H39N3O6S2Si/c1-9-13-36-27(34)24-25(18(4)23-22(26(33)32(23)24)19(5)38-41(6,7)8)40-28-30-21(16-39-28)20-11-12-31(17(3)15-20)29(35)37-14-10-2/h9-10,15-19,22-23H,1-2,11-14H2,3-8H3/t17-,18-,19-,22-,23-/m1/s1
SMILES: C[C@H](C(=O)OCC1=C(C=CC=C1Cl)F)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H19ClFNO4/c1-10(18(24)25-9-13-14(19)7-4-8-15(13)20)21-16(22)11-5-2-3-6-12(11)17(21)23/h4,7-8,10-12H,2-3,5-6,9H2,1H3/t10-,11+,12+/m1/s1