EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H23BrN4OS/c1-11-4-3-5-15(12(11)2)20-16(24)10-25-18-21-17(22-23-18)13-6-8-14(19)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,20,24)(H,21,22,23)/t11-,12-,15-/m1/s1
SMILES: C1=N[C@@H](C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/t4-,6-,7-,9-,10-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H20ClN3O2S/c1-11-5-2-3-8-14(11)19-15(22)10-24-17-21-20-16(23-17)12-6-4-7-13(18)9-12/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,19,22)/t11-,14-/m1/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C17H21N3O6/c21-17(14-7-6-13(19(22)23)10-16(14)20(24)25)26-11-12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9,11H2/t12-,15+/m0/s1
SMILES: C[C@@H]1CC[C@H](N([C@H]1CCCOCOC)C(=O)OC)CCOS(=O)(=O)C
InChI: InChI=1S/C16H31NO7S/c1-13-7-8-14(9-11-24-25(4,19)20)17(16(18)22-3)15(13)6-5-10-23-12-21-2/h13-15H,5-12H2,1-4H3/t13-,14+,15+/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC=CC=C5C=COCCO)C(=O)NCC6=CC(=CC=C6)C(=O)NCCO)OC7(O3)CC8=CC=CC=C8C7
InChI: InChI=1S/C39H41N3O10/c43-14-13-40-35(45)26-11-5-6-24(18-26)22-41-37(47)39-21-30-31-32(51-38(50-31)19-27-8-2-3-9-28(27)20-38)34(39)52-42(33(39)36(46)49-30)23-29-10-4-1-7-25(29)12-16-48-17-15-44/h1-12,16,18,30-34,43-44H,13-15,17,19-23H2,(H,40,45)(H,41,47)/t30-,31+,32+,33+,34-,39+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C23H35NO6/c1-14-8-7-9-18(15(14)2)24-23(26)16(3)30-21(25)11-10-17-12-19(27-4)22(29-6)20(13-17)28-5/h12-16,18H,7-11H2,1-6H3,(H,24,26)/t14-,15+,16+,18+/m0/s1
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@](C4)(C)O)(C)C(=O)O
InChI: InChI=1S/C20H32O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14-,15-,17+,18+,19+,20-/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O)CCCCCCCCCCC(=O)O
InChI: InChI=1S/C29H42O4/c1-29-19-21(10-8-6-4-2-3-5-7-9-11-27(32)33)28-23-15-13-22(30)18-20(23)12-14-24(28)25(29)16-17-26(29)31/h18,21,24-25H,2-17,19H2,1H3,(H,32,33)/t21-,24-,25-,29-/m0/s1
SMILES: C[C@@]12[C@@H](CC=C([C@@H]1C3=COC4=C(C3)C=C(C=C4)O)C=C)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C26H23NO4/c1-3-16-9-11-21-24(29)27(19-7-5-4-6-8-19)25(30)26(21,2)23(16)18-13-17-14-20(28)10-12-22(17)31-15-18/h3-10,12,14-15,21,23,28H,1,11,13H2,2H3/t21-,23+,26+/m0/s1
SMILES: CC(C)CC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC=C(C=C3)F
InChI: InChI=1S/C17H21FN2O3S2/c1-11(2)7-16(21)19-17-20(8-12-3-5-13(18)6-4-12)14-9-25(22,23)10-15(14)24-17/h3-6,11,14-15H,7-10H2,1-2H3/t14-,15+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C=CC=C6OC)O)C(=O)C=C(C5=O)Br)(O)O
InChI: InChI=1S/C29H23BBrNO8/c1-40-22-7-3-6-20(33)26(22)25-15-8-9-16-23(17(15)11-18-24(25)21(34)12-19(31)27(18)35)29(37)32(28(16)36)14-5-2-4-13(10-14)30(38)39/h2-8,10,12,16-17,23,25,33,38-39H,9,11H2,1H3/t16-,17+,23-,25-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C29H22FNO5/c1-15(2)16-7-9-17(10-8-16)24-22-23(28(35)31(27(22)34)19-13-11-18(30)12-14-19)29(36-24)25(32)20-5-3-4-6-21(20)26(29)33/h3-15,22-24H,1-2H3/t22-,23-,24+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
InChI: InChI=1S/C40H55NO15/c1-19-24(53-34(48)28(45)20(2)41-35(49)56-36(5,6)7)17-40(50)32(54-33(47)23-14-12-11-13-15-23)30-38(10,25(44)16-26-39(30,18-51-26)55-22(4)43)31(46)29(52-21(3)42)27(19)37(40,8)9/h11-15,20,24-26,28-32,44-46,50H,16-18H2,1-10H3,(H,41,49)/t20-,24-,25-,26+,28+,29+,30-,31-,32-,38+,39-,40+/m0/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(Cl)(Cl)Cl)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C31H33Cl3N4O6/c1-20-27(18-36-13-15-37(16-14-36)25-9-11-26(12-10-25)38(41)42)43-29(44-28(20)22-7-5-21(19-39)6-8-22)23-3-2-4-24(17-23)35-30(40)31(32,33)34/h2-12,17,20,27-29,39H,13-16,18-19H2,1H3,(H,35,40)/t20-,27+,28+,29+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](C=C([C@]1(C#N)O[Si](C)(C)C(C)(C)C)I)OCOC
InChI: InChI=1S/C20H38INO4Si2/c1-18(2,3)27(8,9)25-17-15(24-14-23-7)12-16(21)20(17,13-22)26-28(10,11)19(4,5)6/h12,15,17H,14H2,1-11H3/t15-,17+,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3
InChI: InChI=1S/C22H27N5O4/c1-16-7-5-6-10-19(16)23-22(30)24-20(28)15-31-21(29)12-11-18-14-27(26-25-18)13-17-8-3-2-4-9-17/h2-4,8-9,11-12,14,16,19H,5-7,10,13,15H2,1H3,(H2,23,24,28,30)/b12-11+/t16-,19+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)[N+](=O)[O-])OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C55H59NO12/c1-59-55-53(65-37-45-30-18-7-19-31-45)52(64-36-44-28-16-6-17-29-44)50(47(67-55)39-61-33-41-22-10-3-11-23-41)68-54-48(56(57)58)51(63-35-43-26-14-5-15-27-43)49(62-34-42-24-12-4-13-25-42)46(66-54)38-60-32-40-20-8-2-9-21-40/h2-31,46-55H,32-39H2,1H3/t46-,47-,48-,49+,50-,51-,52+,53-,54-,55+/m1/s1
SMILES: CC(C)C(C(=O)O[C@@H]1CC2=CC=CC=C2[C@@H]1NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](CN4CCN(C[C@H]4C(=O)NC(C)(C)C)CC5=CN=CC=C5)O)N
InChI: InChI=1S/C41H56N6O5/c1-27(2)36(42)40(51)52-35-22-30-15-9-10-16-33(30)37(35)44-38(49)31(20-28-12-7-6-8-13-28)21-32(48)25-47-19-18-46(24-29-14-11-17-43-23-29)26-34(47)39(50)45-41(3,4)5/h6-17,23,27,31-32,34-37,48H,18-22,24-26,42H2,1-5H3,(H,44,49)(H,45,50)/t31-,32+,34+,35-,36?,37+/m1/s1
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C
InChI: InChI=1S/C25H41N5O11/c1-11(26)21(35)28-17(12(2)40-25-18(27-13(3)32)20(34)19(33)16(10-31)41-25)23(37)29-8-4-6-14(29)22(36)30-9-5-7-15(30)24(38)39/h11-12,14-20,25,31,33-34H,4-10,26H2,1-3H3,(H,27,32)(H,28,35)(H,38,39)/t11-,12+,14-,15-,16+,17-,18+,19-,20+,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C4=CC=CC=C4
InChI: InChI=1S/C23H27N3O2S2/c1-14-9-7-8-12-18(14)24-19(27)13-29-23-25-21-20(15(2)16(3)30-21)22(28)26(23)17-10-5-4-6-11-17/h4-6,10-11,14,18H,7-9,12-13H2,1-3H3,(H,24,27)/t14-,18-/m1/s1
SMILES: C1CCC2=C(C1)C=CC(=C2)C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H21NO3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)12-21-19(23)16-7-3-4-8-17(16)20(21)24/h3-4,9-11,16-17H,1-2,5-8,12H2/t16-,17-/m0/s1
SMILES: C1[C@]2([C@@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C42)OCO5)O
InChI: InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C37H34ClN3O6/c1-37-29(34(44)41(36(37)46)22-5-3-2-4-6-22)20-28-25(32(37)26-12-11-24(42)19-30(26)38)13-14-27-31(28)35(45)40(33(27)43)23-9-7-21(8-10-23)39-15-17-47-18-16-39/h2-13,19,27-29,31-32,42H,14-18,20H2,1H3/t27-,28+,29-,31-,32+,37+/m0/s1
SMILES: C[C@@]12[C@H]3CC=C[C@@H]([C@@]1(C(=C(C2=O)C(=O)OC)C4=CC=CC=C4)C5=CC=CC=C5)C=C3
InChI: InChI=1S/C27H24O3/c1-26-19-14-9-15-21(17-16-19)27(26,20-12-7-4-8-13-20)23(18-10-5-3-6-11-18)22(24(26)28)25(29)30-2/h3-13,15-17,19,21H,14H2,1-2H3/t19-,21+,26-,27+/m0/s1
SMILES: CCCC(CCC)C(=O)NCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)CNC(=O)C(CCC)CCC
InChI: InChI=1S/C29H45FN4O9/c1-5-9-18(10-6-2)26(37)31-14-24(35)41-17-22-21(13-23(42-22)34-16-20(30)28(39)33-29(34)40)43-25(36)15-32-27(38)19(11-7-3)12-8-4/h16,18-19,21-23H,5-15,17H2,1-4H3,(H,31,37)(H,32,38)(H,33,39,40)/t21-,22+,23+/m0/s1
SMILES: CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C
InChI: InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20+/m0/s1
SMILES: CCC(C)CN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C21H31NO.C4H6O6/c1-3-15(2)14-22-11-10-21-9-5-4-6-18(21)20(22)12-16-7-8-17(23)13-19(16)21;5-1(3(7)8)2(6)4(9)10/h7-8,13,15,18,20,23H,3-6,9-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t15?,18-,20-,21-;1-,2-/m01/s1
SMILES: CCCCC[C@H]1[C@@H](O1)/C=C/[C@@H](C/C=C\C/C=C\CCCC(=O)OC)O
InChI: InChI=1S/C21H34O4/c1-3-4-10-14-19-20(25-19)17-16-18(22)13-11-8-6-5-7-9-12-15-21(23)24-2/h5,7-8,11,16-20,22H,3-4,6,9-10,12-15H2,1-2H3/b7-5-,11-8-,17-16+/t18-,19+,20+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)N(C3=C(C2(C)C)C=CC=C3OC)C(=O)C
InChI: InChI=1S/C19H27NO2/c1-12-9-10-14-16(11-12)20(13(2)21)18-15(19(14,3)4)7-6-8-17(18)22-5/h6-8,12,14,16H,9-11H2,1-5H3/t12-,14-,16-/m1/s1
SMILES: CC(=O)[C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CC4=CC=CC=C4C3)C(=O)OC)C
InChI: InChI=1S/C25H29NO5/c1-16(27)25(2)15-26(24(28)30-4)14-21(25)19-9-10-22(29-3)23(13-19)31-20-11-17-7-5-6-8-18(17)12-20/h5-10,13,20-21H,11-12,14-15H2,1-4H3/t21-,25-/m0/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)OC
InChI: InChI=1S/C20H27NO3/c1-23-18-9-15-5-6-21(12-17(15)10-19(18)24-2)20(22)11-16-8-13-3-4-14(16)7-13/h9-10,13-14,16H,3-8,11-12H2,1-2H3/t13-,14+,16-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl)OCC3=CC=CC=C3
InChI: InChI=1S/C26H27Cl6NO9/c27-25(28,29)14-39-23(35)33-19-21(42-24(36)40-15-26(30,31)32)20(38-12-17-9-5-2-6-10-17)18(41-22(19)34)13-37-11-16-7-3-1-4-8-16/h1-10,18-22,34H,11-15H2,(H,33,35)/t18-,19-,20-,21-,22+/m1/s1
SMILES: C[C@]12CCCCC1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@H]4O)F)C
InChI: InChI=1S/C19H29FO2/c1-18-7-4-3-5-13(18)16(21)9-11-12(18)6-8-19(2)14(11)10-15(20)17(19)22/h11-15,17,22H,3-10H2,1-2H3/t11-,12+,13?,14+,15-,17-,18-,19+/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN2C[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC(C)C)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C33H38N2O6/c1-5-21-8-7-9-22(6-2)31(21)34-29(36)18-35-17-26(24-12-15-27-28(16-24)40-19-39-27)30(33(37)38)32(35)23-10-13-25(14-11-23)41-20(3)4/h7-16,20,26,30,32H,5-6,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
SMILES: CC(=C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O)C
InChI: InChI=1S/C19H18F3NO3/c1-9(2)14-12-6-7-13(14)16(18(25)26)15(12)17(24)23-11-5-3-4-10(8-11)19(20,21)22/h3-8,12-13,15-16H,1-2H3,(H,23,24)(H,25,26)/t12-,13+,15-,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=NOCC(=O)O)C4=C3C=CC(=C4)O
InChI: InChI=1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)/t13-,14-,16+,18+,20+/m1/s1
SMILES: CCCCCCOP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC(=O)C)OCC(=O)OCC
InChI: InChI=1S/C22H35N2O11P/c1-5-7-8-9-10-31-36(29,33-14-20(26)30-6-2)32-13-18-17(34-16(4)25)11-19(35-18)24-12-15(3)21(27)23-22(24)28/h12,17-19H,5-11,13-14H2,1-4H3,(H,23,27,28)/t17-,18+,19+,36?/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@]([C@H](O2)COC(=O)C3=CC=CC=C3)(C)O
InChI: InChI=1S/C18H20N2O6/c1-11-9-20(17(23)19-15(11)21)14-8-18(2,24)13(26-14)10-25-16(22)12-6-4-3-5-7-12/h3-7,9,13-14,24H,8,10H2,1-2H3,(H,19,21,23)/t13-,14+,18-/m1/s1
SMILES: CC(C)(C[C@H]1[C@]2(C[C@H]3N1[C@@H]([C@@H](OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6)OC)NC2=O)OC
InChI: InChI=1S/C32H34N2O5/c1-31(2,38-4)19-26-32(23-16-15-22(37-3)17-24(23)33-30(32)36)18-25-29(35)39-28(21-13-9-6-10-14-21)27(34(25)26)20-11-7-5-8-12-20/h5-17,25-28H,18-19H2,1-4H3,(H,33,36)/t25-,26+,27-,28+,32+/m1/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)N)C(=O)N
InChI: InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5+,6-,9-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@]4([C@@]3(CC=CC4)C)O)C)C(C)C
InChI: InChI=1S/C29H46O2/c1-7-21(19(2)3)11-10-20(4)23-12-13-24-22-18-26(30)29(31)16-9-8-15-28(29,6)25(22)14-17-27(23,24)5/h8-9,18-21,23-25,31H,7,10-17H2,1-6H3/t20-,21-,23-,24+,25+,27-,28-,29+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3
InChI: InChI=1S/C18H22N2O7/c1-11-4-2-3-5-13(11)19-17(21)10-27-18(22)12-8-15-16(26-7-6-25-15)9-14(12)20(23)24/h8-9,11,13H,2-7,10H2,1H3,(H,19,21)/t11-,13+/m0/s1
SMILES: CN1[C@H]2C[C@@H]([C@@H]([C@H]1C[C@@H]2O)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO3/c1-19-12-6-9(8-3-4-10(17)11(18)5-8)15(16(21)22-2)13(19)7-14(12)20/h3-5,9,12-15,20H,6-7H2,1-2H3/t9-,12+,13-,14+,15+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CCC6=C[C@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)O)C)N(C1)O
InChI: InChI=1S/C28H43NO3/c1-16-11-25-26(29(31)15-16)18(3)28(32-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h12,16,18,20-22,24-26,30-31H,5-11,13-15H2,1-4H3/t16-,18+,20-,21-,22-,24-,25+,26-,27-,28?/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CC(=CC(=C3)C4=CC=C(S4)CN5C=C[N+](=C5)C)Br)O
InChI: InChI=1S/C24H22BrN3O4S/c1-13(29)21-19-10-18(22(24(31)32)28(19)23(21)30)14-7-15(9-16(25)8-14)20-4-3-17(33-20)11-27-6-5-26(2)12-27/h3-9,12-13,19,21,29H,10-11H2,1-2H3/p+1/t13-,19-,21-/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=CC(=C5)[N+](=O)[O-])CCCCO)CCCCO)OCC=C)N(C)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C43H50N4O12/c1-4-23-55-43-39(45(3)42(50)58-31-17-15-29(16-18-31)46(51)52)27-37(44-56-5-2)35-24-28(11-6-8-21-48)34(14-7-9-22-49)40(41(35)43)36-26-33(19-20-38(36)59-43)57-32-13-10-12-30(25-32)47(53)54/h4,10,12-13,15-20,24-26,28,34,39-41,48-49H,1,5-9,11,14,21-23,27H2,2-3H3/t28-,34+,39-,40+,41+,43+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H24N2O5/c1-14(21(27)24-17-11-10-15-6-2-3-7-16(15)12-17)30-20(26)13-25-22(28)18-8-4-5-9-19(18)23(25)29/h2-3,6-7,10-12,14,18-19H,4-5,8-9,13H2,1H3,(H,24,27)/t14-,18-,19+/m0/s1
SMILES: CC(C)(C)NC(=O)NCCC(C)(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)OCO5
InChI: InChI=1S/C35H50N4O10S/c1-34(2,3)38-32(41)36-15-14-35(4,5)21-39(50(43,44)24-11-12-28-29(18-24)48-22-47-28)19-27(40)26(17-23-9-7-6-8-10-23)37-33(42)49-30-20-46-31-25(30)13-16-45-31/h6-12,18,25-27,30-31,40H,13-17,19-22H2,1-5H3,(H,37,42)(H2,36,38,41)/t25-,26-,27+,30-,31+/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C28H27NO7/c1-15-11-19-25(26(30)22(15)27(31)33-3)24(18-9-10-20-21(12-18)36-14-35-20)23(16(2)29-19)28(32)34-13-17-7-5-4-6-8-17/h4-10,12,15,22,24,29H,11,13-14H2,1-3H3/t15-,22+,24+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)O)C2=COC3=CC=CC=C3C2=O)CCOCCOCCO
InChI: InChI=1S/C23H28O9/c1-2-30-23-15(7-9-28-11-12-29-10-8-24)17(13-20(32-23)22(26)27)18-14-31-19-6-4-3-5-16(19)21(18)25/h3-6,13-15,17,23-24H,2,7-12H2,1H3,(H,26,27)/t15-,17+,23-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@]2(C1)N=C(C3=CC=CC=C3O2)C4=CC=CC=N4)C(C)C
InChI: InChI=1S/C22H26N2O/c1-15(2)18-12-11-16(3)14-22(18)24-21(19-9-6-7-13-23-19)17-8-4-5-10-20(17)25-22/h4-10,13,15-16,18H,11-12,14H2,1-3H3/t16-,18+,22+/m1/s1
SMILES: C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: C1[C@H]2[C@@H]3[C@H]([C@@H](C1=O)C4=CC=CC=C24)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H14ClNO3/c21-10-5-7-11(8-6-10)22-19(24)17-14-9-15(23)16(18(17)20(22)25)13-4-2-1-3-12(13)14/h1-8,14,16-18H,9H2/t14-,16-,17-,18+/m1/s1
SMILES: CC(C)[C@H]1C[C@H]([C@@](C=C1)(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H28O7/c1-8(2)9-4-5-16(3,21)11(6-9)23-15-14(20)13(19)12(18)10(7-17)22-15/h4-5,8-15,17-21H,6-7H2,1-3H3/t9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
SMILES: C[C@H]1[C@H](O[C@@H](N1C)C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C18H21NO/c1-13-9-11-16(12-10-13)18-19(3)14(2)17(20-18)15-7-5-4-6-8-15/h4-12,14,17-18H,1-3H3/t14-,17-,18+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCSC5=CC=CC=C5)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C47H58N2O9S/c1-4-21-49(46(52)33-17-19-41-42(28-33)56-31-55-41)43-30-39(48-53-3)37-27-32(13-9-11-22-50)36(16-10-12-23-51)44-38-29-34(54-25-26-59-35-14-7-6-8-15-35)18-20-40(38)58-47(43,45(37)44)57-24-5-2/h5-8,14-15,17-20,27-29,32,36,43-45,50-51H,2,4,9-13,16,21-26,30-31H2,1,3H3/t32-,36+,43-,44+,45+,47+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=C(C4=C(C=CC(=C4N3)OC)Cl)N=N2
InChI: InChI=1S/C19H22ClN5O2S/c1-10-5-3-4-6-12(10)21-14(26)9-28-19-23-18-17(24-25-19)15-11(20)7-8-13(27-2)16(15)22-18/h7-8,10,12H,3-6,9H2,1-2H3,(H,21,26)(H,22,23,25)/t10-,12+/m0/s1
SMILES: C1C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C25H28N2O4/c28-24(21-19-11-12-20(31-19)22(21)25(29)30)27-15-13-26(14-16-27)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-23H,11-16H2,(H,29,30)/t19-,20+,21+,22-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F
InChI: InChI=1S/C20H30FN3O3S/c1-15-6-5-8-18(16(15)2)22-20(25)14-23-10-12-24(13-11-23)28(26,27)19-9-4-3-7-17(19)21/h3-4,7,9,15-16,18H,5-6,8,10-14H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)Br
InChI: InChI=1S/C17H20BrN3O3/c1-11-5-2-3-8-17(11)15(23)21(16(24)20-17)10-14(22)19-13-7-4-6-12(18)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,22)(H,20,24)/t11-,17-/m1/s1
SMILES: CS(=O)(=O)NCCCCCCC(C1=CC(=C(C=C1)C(=O)O)C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=CC=C4)O)(F)F
InChI: InChI=1S/C31H35F2NO6S/c1-41(38,39)34-16-8-3-2-7-15-31(32,33)24-12-14-25(30(36)37)27(19-24)22-11-13-26-28(18-22)40-20-23(29(26)35)17-21-9-5-4-6-10-21/h4-6,9-14,18-19,23,29,34-35H,2-3,7-8,15-17,20H2,1H3,(H,36,37)/t23-,29+/m0/s1
SMILES: CC1=CC2=C(C=C1)[C@@H]3C=C[C@H]2[C@@H]4[C@H]3OC(O4)C5=CC=CC=C5
InChI: InChI=1S/C20H18O2/c1-12-7-8-14-15-9-10-16(17(14)11-12)19-18(15)21-20(22-19)13-5-3-2-4-6-13/h2-11,15-16,18-20H,1H3/t15-,16+,18-,19+,20?/m0/s1
SMILES: CCO[C@@]12C[C@@H]3[C@H]4[C@@H]([C@H]1[C@@]3(C)O)[C@@H](O2)C(=O)[C@@H]([C@H]4OCC5=CC=CC=C5)C
InChI: InChI=1S/C22H28O5/c1-4-26-22-10-14-15-16(20(22)21(14,3)24)19(27-22)17(23)12(2)18(15)25-11-13-8-6-5-7-9-13/h5-9,12,14-16,18-20,24H,4,10-11H2,1-3H3/t12-,14+,15-,16+,18+,19+,20-,21-,22+/m0/s1
SMILES: CC(=O)OC1=CC=CC=C1[C@@H]2[C@@H]3CCCC=C3[C@@H]4CCCC[C@@H]4O2
InChI: InChI=1S/C21H26O3/c1-14(22)23-20-13-7-5-11-18(20)21-17-10-3-2-8-15(17)16-9-4-6-12-19(16)24-21/h5,7-8,11,13,16-17,19,21H,2-4,6,9-10,12H2,1H3/t16-,17+,19-,21-/m0/s1
SMILES: CC1=CC2=C3C(=C1)[C@@H]4C=CC[C@H]4[C@@H](N3C[C@@H]5[C@@H]2C=CC5)C6=CC=C(C=C6)Br
InChI: InChI=1S/C25H24BrN/c1-15-12-22-19-5-2-4-17(19)14-27-24(16-8-10-18(26)11-9-16)21-7-3-6-20(21)23(13-15)25(22)27/h2-3,5-6,8-13,17,19-21,24H,4,7,14H2,1H3/t17-,19+,20-,21-,24+/m1/s1
SMILES: C1C[C@]2([C@H](CN=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C41
InChI: InChI=1S/C18H15N3O3/c22-17-15-7-2-1-4-12(15)8-9-18(17)16(11-19-20-18)13-5-3-6-14(10-13)21(23)24/h1-7,10,16H,8-9,11H2/t16-,18+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC[C@@]4(C(=O)CO)O)C)O)O
InChI: InChI=1S/C22H32O6/c1-20-7-5-12(24)8-15(20)16(25)9-13-14-4-3-6-22(28,18(27)11-23)21(14,2)10-17(26)19(13)20/h8,13-14,16-17,19,23,25-26,28H,3-7,9-11H2,1-2H3/t13-,14-,16+,17-,19+,20-,21-,22-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(=O)COC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H24O7/c1-23(2)29-20-19(26-13-15-9-5-3-6-10-15)18(28-22(20)30-23)17(24)14-27-21(25)16-11-7-4-8-12-16/h3-12,18-20,22H,13-14H2,1-2H3/t18-,19+,20-,22-/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)[N+](=O)[O-]
InChI: InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-1-2-10-3-5-11(6-4-10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b2-1+,22-7+/t12-,14-,15-,18-/m1/s1
SMILES: COC1=NC(=NC2=C1C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C12H16N4O5/c1-20-10-5-2-3-16(9(5)14-12(13)15-10)11-8(19)7(18)6(4-17)21-11/h2-3,6-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t6-,7-,8-,11-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)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(CC7=CC8=C(C=C7)OCO8)C(=O)C9=CC=C(C=C9)C#N)OCC=C)OC
InChI: InChI=1S/C59H62N4O12/c1-4-28-72-59-54(63(57(66)41-19-16-38(34-60)17-20-41)35-40-18-24-51-53(29-40)71-37-70-51)33-49(62-73-36-39-12-6-5-7-13-39)46-30-42(14-8-10-26-64)45(15-9-11-27-65)55(56(46)59)47-31-44(22-25-50(47)75-59)74-58(67)61-48-23-21-43(68-2)32-52(48)69-3/h4-7,12-13,16-25,29-32,42,45,54-56,64-65H,1,8-11,14-15,26-28,33,35-37H2,2-3H3,(H,61,67)/t42-,45+,54-,55+,56+,59+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)OC5=CC6=CC=CC=C6C=C5)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC=C(C=C8)OC)C
InChI: InChI=1S/C52H53NO6/c1-35-10-9-28-51(2)48(46-26-18-36(30-42(54)22-17-35)31-47(46)49(55)39-20-23-43(58-3)24-21-39)27-29-52(51,57)34-53(33-41-15-8-14-38-12-6-7-16-45(38)41)50(56)59-44-25-19-37-11-4-5-13-40(37)32-44/h4-8,10-16,18-21,23-26,31-32,42,48,54,57H,9,17,22,27-30,33-34H2,1-3H3/t42-,48-,51-,52+/m0/s1
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCC4=CC=C(C=C4)O)/C5=CSC(=N5)N)SC2)C(=O)O
InChI: InChI=1S/C24H22N8O8S3/c1-31-24(28-18(35)19(36)29-31)43-8-11-7-41-21-15(20(37)32(21)16(11)22(38)39)27-17(34)14(13-9-42-23(25)26-13)30-40-6-10-2-4-12(33)5-3-10/h2-5,9,15,21,33H,6-8H2,1H3,(H2,25,26)(H,27,34)(H,29,36)(H,38,39)/b30-14-/t15-,21-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@]3(CO[C@H](O[C@H]3[C@H]4[C@H]2OC(O4)(C)C)C5=CC=CC=C5)O
InChI: InChI=1S/C24H28O8S/c1-15-9-11-17(12-10-15)33(26,27)32-18-13-24(25)14-28-22(16-7-5-4-6-8-16)29-21(24)20-19(18)30-23(2,3)31-20/h4-12,18-22,25H,13-14H2,1-3H3/t18-,19+,20-,21+,22-,24+/m1/s1
SMILES: CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C21H18ClNO6/c1-11-6-17-15(8-16(11)22)12(7-18(24)29-17)10-28-19(25)9-23-20(26)13-4-2-3-5-14(13)21(23)27/h2-3,6-8,13-14H,4-5,9-10H2,1H3/t13-,14-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C)[C@H]6C[C@@]7(C(O[C@](O6)(O7)C)(C)C)C
InChI: InChI=1S/C31H50O4/c1-18(24-17-29(6)26(2,3)34-30(7,33-24)35-29)21-9-10-22-20-15-25(32-8)31-16-19(31)11-14-28(31,5)23(20)12-13-27(21,22)4/h18-25H,9-17H2,1-8H3/t18-,19-,20-,21+,22-,23-,24+,25+,27+,28+,29+,30-,31-/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C20H21NO3S/c1-2-24-20(23)17-13-9-6-10-16(13)25-19(17)21-18(22)15-11-14(15)12-7-4-3-5-8-12/h3-5,7-8,14-15H,2,6,9-11H2,1H3,(H,21,22)/t14-,15-/m0/s1
SMILES: CN([C@@H]1[C@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H24Cl2N2O/c1-25(21(27)13-15-8-9-18(23)19(24)12-15)22-17-7-3-2-6-16(17)14-20(22)26-10-4-5-11-26/h2-3,6-9,12,20,22H,4-5,10-11,13-14H2,1H3/t20-,22-/m0/s1
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
InChI: InChI=1S/2C19H19N3O5S.C16H20N2/c2*1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)N(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H28N4O2S/c1-14-7-5-6-8-17(14)24-19(15-9-11-16(26-4)12-10-15)21-22-20(24)27-13-18(25)23(2)3/h9-12,14,17H,5-8,13H2,1-4H3/t14-,17-/m1/s1
SMILES: CCCN1C(=O)[C@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2CN(CC4)C)C(=O)N(C1=O)C
InChI: InChI=1S/C20H25N5O5/c1-4-7-24-18(27)20(17(26)22(3)19(24)28)11-13-10-14(25(29)30)5-6-15(13)23-9-8-21(2)12-16(20)23/h5-6,10,16H,4,7-9,11-12H2,1-3H3/t16-,20-/m0/s1
SMILES: CC1(O[C@H]2CN(O[C@@]([C@H]2O1)(CO)OC)C3=C(C(=CC(=C3)C(=O)OC)OC)I)C
InChI: InChI=1S/C18H24INO8/c1-17(2)26-13-8-20(28-18(9-21,25-5)15(13)27-17)11-6-10(16(22)24-4)7-12(23-3)14(11)19/h6-7,13,15,21H,8-9H2,1-5H3/t13-,15-,18+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C28H24FN3O6/c1-28-18(24(35)31(26(28)37)13-6-3-2-4-7-13)12-17-14(21(28)16-8-5-9-19(29)22(16)33)10-11-15-20(17)25(36)32(23(15)34)27(30)38/h2-10,15,17-18,20-21,33H,11-12H2,1H3,(H2,30,38)/t15-,17+,18-,20-,21+,28+/m0/s1