EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NC3=C(CCCCC3)C(=C2C#N)C4=CC=NC5=CC=CC=C45)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H35N3O9S/c1-18(38)42-17-28-30(43-19(2)39)31(44-20(3)40)32(45-21(4)41)34(46-28)47-33-25(16-35)29(24-11-6-5-7-13-27(24)37-33)23-14-15-36-26-12-9-8-10-22(23)26/h8-10,12,14-15,28,30-32,34H,5-7,11,13,17H2,1-4H3/t28-,30-,31+,32-,34+/m1/s1
SMILES: C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](O3)C[C@@H]1OC(=O)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2
InChI: InChI=1S/C21H26O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,14-18H,1,4,8-9H2,2-3,5-6H3/b11-7-/t14-,15+,16+,17+,18-,21+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCCC[C@@H]([C@@]34CCCC[C@@H]3O4)O
InChI: InChI=1S/C28H40O3Si/c1-27(2,3)32(23-15-7-4-8-16-23,24-17-9-5-10-18-24)30-22-14-6-11-19-25(29)28-21-13-12-20-26(28)31-28/h4-5,7-10,15-18,25-26,29H,6,11-14,19-22H2,1-3H3/t25-,26-,28-/m0/s1
SMILES: CN(C)[C@@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC=C(C=C5)NC(=O)C6CC6
InChI: InChI=1S/C31H31N3O8/c1-34(2)24-19-12-15-11-18-17(13-5-7-16(8-6-13)33-30(41)14-3-4-14)9-10-20(35)22(18)25(36)21(15)27(38)31(19,42)28(39)23(26(24)37)29(32)40/h5-10,14-15,19,21,23-24,35,42H,3-4,11-12H2,1-2H3,(H2,32,40)(H,33,41)/t15-,19-,21?,23?,24+,31-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC2=CC(=O)[C@@H](C2)C(C)C)C(C)C
InChI: InChI=1S/C18H30O2/c1-11(2)15-7-6-13(5)8-18(15)20-14-9-16(12(3)4)17(19)10-14/h10-13,15-16,18H,6-9H2,1-5H3/t13-,15+,16-,18-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(C)(C)C)C
InChI: InChI=1S/C23H36O2/c1-21(2,3)25-16-10-12-22(4)15(14-16)6-7-17-18-8-9-20(24)23(18,5)13-11-19(17)22/h6,16-19H,7-14H2,1-5H3/t16-,17+,18+,19+,22-,23+/m0/s1
SMILES: CN(C)[C@@H]1[C@@H](C2=CC=CC3=C2C1=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H19ClN2O2S/c1-23(2)20-17-8-4-6-13-5-3-7-16(18(13)17)19(20)22-26(24,25)15-11-9-14(21)10-12-15/h3-12,19-20,22H,1-2H3/t19-,20+/m1/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)OCC=C)CCCCO)CCCCO)C(=O)CC6=CC(=CC=C6)OC
InChI: InChI=1S/C44H60N2O9/c1-4-20-46(40(50)26-30-13-12-15-33(25-30)51-3)39-29-37(45-55-41-17-8-11-24-52-41)35-27-31(14-6-9-21-47)34(16-7-10-22-48)42-36-28-32(49)18-19-38(36)54-44(39,43(35)42)53-23-5-2/h5,12-13,15,18-19,25,27-28,31,34,39,41-43,47-49H,2,4,6-11,14,16-17,20-24,26,29H2,1,3H3/t31-,34+,39-,41?,42+,43+,44+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C
InChI: InChI=1S/C53H54O11/c1-52-29-27-38(31-37(52)23-24-39-40-25-26-43(54)53(40,2)30-28-41(39)52)60-51-46(64-50(58)36-21-13-6-14-22-36)45(63-49(57)35-19-11-5-12-20-35)44(62-48(56)34-17-9-4-10-18-34)42(61-51)32-59-47(55)33-15-7-3-8-16-33/h3-23,38-42,44-46,51H,24-32H2,1-2H3/t38-,39-,40-,41-,42+,44-,45-,46+,51+,52-,53-/m0/s1
SMILES: CC(=NN1[C@@H]([C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35)O)C
InChI: InChI=1S/C21H20N2O2/c1-11(2)22-23-20(24)18-16-12-7-3-4-8-13(12)17(19(18)21(23)25)15-10-6-5-9-14(15)16/h3-10,16-20,24H,1-2H3/t16?,17?,18-,19+,20+/m0/s1
SMILES: CCCCCN1[C@@H](C[C@]([C@@H]2[C@@H]1CCCC2)(C#C)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C24H33NO2/c1-4-6-12-17-25-19(3)18-24(5-2,21-15-10-11-16-22(21)25)27-23(26)20-13-8-7-9-14-20/h2,7-9,13-14,19,21-22H,4,6,10-12,15-18H2,1,3H3/t19-,21+,22+,24+/m1/s1
SMILES: CCCCCCCCC/C=C/C=C/C(=O)O[C@@H]1C2[C@H]3[C@](O3)([C@H]([C@]4(C([C@]2([C@@H]([C@H]([C@]1(C(=C)C)O)OC(=O)C)C)O)C=C(C4=O)C)O)O)CO
InChI: InChI=1S/C36H52O11/c1-7-8-9-10-11-12-13-14-15-16-17-18-26(39)46-31-27-30-33(20-37,47-30)32(41)36(44)25(19-22(4)28(36)40)35(27,43)23(5)29(45-24(6)38)34(31,42)21(2)3/h15-19,23,25,27,29-32,37,41-44H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25?,27?,29-,30+,31-,32-,33+,34+,35+,36-/m1/s1
SMILES: C1C[C@@H]2[C@H](N([C@H]1CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C19H18ClNO/c20-14-6-8-15(9-7-14)21-16-10-11-17(18(22)12-16)19(21)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12H2/t16-,17+,19-/m1/s1
SMILES: C1[C@@H]2C3=CC=CC=C3O[C@H]([C@@]2(N=N1)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C16H13N3O3/c20-19(21)16-13(10-17-18-16)12-8-4-5-9-14(12)22-15(16)11-6-2-1-3-7-11/h1-9,13,15H,10H2/t13-,15+,16+/m1/s1
SMILES: CC1([C@@H]([C@H]1C(=O)N=C2N=C3N=C(C=C(N3S2)OC)OC)C=C(Cl)Cl)C
InChI: InChI=1S/C15H16Cl2N4O3S/c1-15(2)7(5-8(16)17)11(15)12(22)19-14-20-13-18-9(23-3)6-10(24-4)21(13)25-14/h5-7,11H,1-4H3/t7-,11+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)OC)O)OC)C7=CC=CC=C7)C8=CC=CC=C8)(O)O
InChI: InChI=1S/C42H36BNO9/c1-52-33-18-24(19-34(53-2)39(33)47)37-28-16-17-29-36(41(49)44(40(29)48)27-15-9-14-26(20-27)43(50)51)31(28)21-32-38(46)30(23-10-5-3-6-11-23)22-35(45)42(32,37)25-12-7-4-8-13-25/h3-16,18-20,22,29,31-32,36-37,47,50-51H,17,21H2,1-2H3/t29-,31+,32-,36-,37-,42-/m0/s1
SMILES: C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@H]2[C@@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C17H20N2O3/c1-2-10-18-16(20)13-9-6-11-19(13)17(21)15-14(22-15)12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2,(H,18,20)/t13-,14-,15+/m0/s1
SMILES: C1C=C2[C@H](C[C@@H](N([C@H]2[C@@H]3[C@H]1C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5)C6=CC=CC=C6)O
InChI: InChI=1S/C30H26N2O5/c33-25-18-24(19-10-4-1-5-11-19)32(30(36)37-21-14-8-3-9-15-21)27-22(25)16-17-23-26(27)29(35)31(28(23)34)20-12-6-2-7-13-20/h1-16,23-27,33H,17-18H2/t23-,24+,25-,26-,27+/m0/s1
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/C(=O)OCC4=CC=CC=C4)OC)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C
InChI: InChI=1S/C35H42N2O6/c1-23(2)27-14-12-24(3)28-19-31(42-32(38)15-13-26-20-37(5)22-36-26)34(4)16-17-35(40-6,43-34)30(18-29(27)28)33(39)41-21-25-10-8-7-9-11-25/h7-13,15-18,20,22-23,27-29,31H,14,19,21H2,1-6H3/b15-13+,30-18-/t27-,28+,29-,31+,34+,35-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2[C@H]3[C@@H]2C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C22H16O/c23-22(14-8-2-1-3-9-14)21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)21/h1-13,19-21H/t19-,20+,21?
SMILES: CC(=O)[C@H]1[C@@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C24H19N3O3/c1-15(28)22-21(17-7-9-18(10-8-17)23(29)30-2)24(13-25,14-26)20-12-11-16-5-3-4-6-19(16)27(20)22/h3-12,20-22H,1-2H3/t20-,21+,22+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)C(=O)NC8=CC=C(C=C8)OC)O)C(=C5)C(=O)C9CCCCC9)O)C
InChI: InChI=1S/C47H66N2O5/c1-42(2)32-12-11-31(36(42)25-32)28-49(41(52)48-33-13-15-35(54-5)16-14-33)29-46(53)22-19-39-44(46,4)21-18-38-43(3)20-17-34(50)26-45(43)23-24-47(38,39)37(27-45)40(51)30-9-7-6-8-10-30/h13-16,23-24,27,30-32,34,36,38-39,50,53H,6-12,17-22,25-26,28-29H2,1-5H3,(H,48,52)/t31-,32-,34?,36-,38+,39+,43+,44-,45-,46+,47+/m0/s1
SMILES: CC[C@@H]1CO[C@]23N1C(=O)N([C@@H]([C@]2(C(=O)N3C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H27N3O3/c1-3-21-19-34-28-27(2,25(32)30(28)23-17-11-6-12-18-23)24(20-13-7-4-8-14-20)29(26(33)31(21)28)22-15-9-5-10-16-22/h4-18,21,24H,3,19H2,1-2H3/t21-,24-,27+,28-/m1/s1
SMILES: CCC(C)[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C
InChI: InChI=1S/C23H42O6/c1-9-11(2)22-16(7)20(26)14(5)18(24)12(3)10-13(4)19(25)15(6)21(27)17(8)23(28)29-22/h11-17,19-22,25-27H,9-10H2,1-8H3/t11?,12-,13+,14+,15-,16-,17-,19+,20-,21+,22-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@@H]2C[C@@]45CCCC[C@]4(C3)O5
InChI: InChI=1S/C17H21NO3S/c1-12-4-6-13(7-5-12)22(19,20)18-14-10-16-8-2-3-9-17(16,21-16)11-15(14)18/h4-7,14-15H,2-3,8-11H2,1H3/t14-,15+,16-,17+,18?
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@@H]4[C@H]([C@H]3C5=CC(=C(C=C5)O)C)C(=O)N(C4=O)CC
InChI: InChI=1S/C25H28N2O5/c1-4-26-22(29)15-8-7-14-16(20(15)24(26)31)11-17-21(25(32)27(5-2)23(17)30)19(14)13-6-9-18(28)12(3)10-13/h6-7,9-10,15-17,19-21,28H,4-5,8,11H2,1-3H3/t15-,16+,17+,19-,20-,21+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C18H22N2O6/c1-12-7-16(21)14(15(12)10-20(24)25)8-18(23)26-11-17(22)19-9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,19,22)/t12-,14+,15-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N[C@@H]([C@@H](C1=O)C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C23H25NO5/c1-3-28-22(26)17-19(15-11-7-5-8-12-15)24-20(16-13-9-6-10-14-16)18(21(17)25)23(27)29-4-2/h5-14,17-20,24H,3-4H2,1-2H3/t17-,18-,19-,20+/m0/s1
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@H](C4(C)C)OC(=O)CC(C)(CC(=O)O)O)C)C)C)C(=O)O[C@@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C
InChI: InChI=1S/C41H64O11/c1-23(2)10-9-11-24(35(48)52-36-34(47)33(46)28(42)22-50-36)25-14-18-41(8)27-12-13-29-37(3,4)30(51-32(45)21-38(5,49)20-31(43)44)16-17-39(29,6)26(27)15-19-40(25,41)7/h10,24-25,28-30,33-34,36,42,46-47,49H,9,11-22H2,1-8H3,(H,43,44)/t24-,25-,28-,29?,30-,33+,34-,36-,38?,39-,40-,41+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H41N3O8SSi2/c1-14-12-26(20(28)25-17(14)27)18-16(32-36(8,9)21(2,3)4)23(15(24)13-35(29,30)34-23)19(31-18)33-37(10,11)22(5,6)7/h12-13,16,18-19H,24H2,1-11H3,(H,25,27,28)/t16-,18+,19+,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)CNC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSC6=NN=NN6C7=CC=CC=C7
InChI: InChI=1S/C40H38N6O5S/c1-27-36(26-52-40-43-44-45-46(40)33-8-4-2-5-9-33)50-38(51-37(27)30-16-14-29(25-47)15-17-30)31-18-12-28(13-19-31)24-41-39(48)42-32-20-22-35(23-21-32)49-34-10-6-3-7-11-34/h2-23,27,36-38,47H,24-26H2,1H3,(H2,41,42,48)/t27-,36+,37+,38+/m0/s1
SMILES: COC(CC1(SCCCS1)[C@H]2[C@@H]3C4=C(C[C@@H]([C@@]3(CO2)C(=O)OC)[Si](C)(C)C5=CC=CC=C5)OCC4)OC
InChI: InChI=1S/C28H40O6S2Si/c1-30-23(31-2)17-28(35-14-9-15-36-28)25-24-20-12-13-33-21(20)16-22(27(24,18-34-25)26(29)32-3)37(4,5)19-10-7-6-8-11-19/h6-8,10-11,22-25H,9,12-18H2,1-5H3/t22-,24-,25+,27+/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[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)C7CCCCC7
InChI: InChI=1S/C33H31Cl2FN2O6/c1-44-20-11-14-25(39)23(15-20)27-21-12-13-22-26(29(41)37(28(22)40)18-5-3-2-4-6-18)24(21)16-32(34)30(42)38(31(43)33(27,32)35)19-9-7-17(36)8-10-19/h7-12,14-15,18,22,24,26-27,39H,2-6,13,16H2,1H3/t22-,24+,26-,27+,32+,33-/m0/s1
SMILES: C#CC[C@@H]1[C@H](C[C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C23H26O4/c1-2-9-21-20(24)14-22(26-16-19-12-7-4-8-13-19)23(27-21)17-25-15-18-10-5-3-6-11-18/h1,3-8,10-13,20-24H,9,14-17H2/t20-,21+,22-,23+/m0/s1
SMILES: C1CCC(C1)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@H]4COC(=C(N4C3=O)C(=O)O)CSC5=CC=[N+](C=C5)CC(=O)N6CCOCC6.OS(=O)(=O)[O-]
InChI: InChI=1S/C29H33N7O8S2.H2O4S/c30-29-31-19(15-46-29)23(33-44-17-3-1-2-4-17)26(38)32-24-20-14-43-21(25(28(40)41)36(20)27(24)39)16-45-18-5-7-34(8-6-18)13-22(37)35-9-11-42-12-10-35;1-5(2,3)4/h5-8,15,17,20,24H,1-4,9-14,16H2,(H3-,30,31,32,38,40,41);(H2,1,2,3,4)/b33-23-;/t20-,24+;/m1./s1
SMILES: CC(=C)C[C@@H]1CC[C@]2([C@H]1[C@](CC[C@@H]2O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)(C)O)C
InChI: InChI=1S/C31H44O2Si/c1-23(2)22-24-18-20-30(6)27(19-21-31(7,32)28(24)30)33-34(29(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,24,27-28,32H,1,18-22H2,2-7H3/t24-,27-,28-,30+,31+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14+,15+,16-,17-,18+/m1/s1
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H]3C(=O)[O-])C4=C(C)C
InChI: InChI=1S/C23H26N2O3S/c1-4-13-5-7-14(8-6-13)17-11-29-23(24-17)25-21(26)19-15-9-10-16(18(15)12(2)3)20(19)22(27)28/h5-8,11,15-16,19-20H,4,9-10H2,1-3H3,(H,27,28)(H,24,25,26)/p-1/t15-,16+,19+,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC(=C3C4=C(CCCC4)SC3=N2)N
InChI: InChI=1S/C19H26N4OS2/c1-11-6-2-4-8-13(11)21-15(24)10-25-19-22-17(20)16-12-7-3-5-9-14(12)26-18(16)23-19/h11,13H,2-10H2,1H3,(H,21,24)(H2,20,22,23)/t11-,13-/m1/s1
SMILES: CCC[C@@H]1C[C@@]1(CCC)[C@H](C2=CC=C(C=C2)Cl)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H33ClNOP/c1-3-11-23-21-28(23,20-4-2)27(22-16-18-24(29)19-17-22)30-32(31,25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-19,23,27H,3-4,11,20-21H2,1-2H3,(H,30,31)/t23-,27+,28-/m1/s1
SMILES: CCOC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)C#CC(C)(C)C)OC(=O)OCC
InChI: InChI=1S/C18H26O7/c1-6-21-16(19)23-12-15-14(25-17(20)22-7-2)9-8-13(24-15)10-11-18(3,4)5/h8-9,13-15H,6-7,12H2,1-5H3/t13-,14-,15+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC=C8OC)O)C(=O)N(C7=O)CC9=CC=CS9)C
InChI: InChI=1S/C40H35ClN4O6S2/c1-19-24-15-20(41)10-13-30(24)53-35(19)27-17-31(43(3)42-27)45-37(48)26-16-25-22(34(40(26,2)39(45)50)33-28(46)8-5-9-29(33)51-4)11-12-23-32(25)38(49)44(36(23)47)18-21-7-6-14-52-21/h5-11,13-15,17,23,25-26,32,34,46H,12,16,18H2,1-4H3/t23-,25+,26-,32-,34+,40+/m0/s1
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)NC(C)C(=O)N2CCC[C@H]2C(=O)O[C@H]3COC4[C@H]3OC[C@H]4O[N+](=O)[O-]
InChI: InChI=1S/C26H35N3O10/c1-3-35-25(31)18(12-11-17-8-5-4-6-9-17)27-16(2)24(30)28-13-7-10-19(28)26(32)38-20-14-36-23-21(39-29(33)34)15-37-22(20)23/h4-6,8-9,16,18-23,27H,3,7,10-15H2,1-2H3/t16?,18-,19-,20-,21+,22-,23?/m0/s1
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=CC=C6
InChI: InChI=1S/C27H18N2O8/c1-36-19-13-15(29(34)35)11-12-18(19)28-25(32)20-21(26(28)33)27(37-22(20)14-7-3-2-4-8-14)23(30)16-9-5-6-10-17(16)24(27)31/h2-13,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: CC1(CC(CC(N1)(C)C)N2CC[C@]([C@H](C2)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C
InChI: InChI=1S/C27H36N2O2/c1-25(2)17-22(18-26(3,4)28-25)29-16-15-27(31,21-13-9-6-10-14-21)23(19-29)24(30)20-11-7-5-8-12-20/h5-14,22-23,28,31H,15-19H2,1-4H3/t23-,27-/m1/s1
SMILES: C1CC(=O)[C@@]2([C@@H](C[C@@H]3[C@H]2C4=CC=CC=C4C3=O)O)C5=CC=CC=C51
InChI: InChI=1S/C21H18O3/c22-17-10-9-12-5-1-4-8-16(12)21(17)18(23)11-15-19(21)13-6-2-3-7-14(13)20(15)24/h1-8,15,18-19,23H,9-11H2/t15-,18-,19-,21-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC(=CC=C3)Br
InChI: InChI=1S/C16H16BrFN2O5/c17-10-3-1-2-9(4-10)8-24-12-5-14(25-13(12)7-21)20-6-11(18)15(22)19-16(20)23/h1-4,6,12-14,21H,5,7-8H2,(H,19,22,23)/t12-,13+,14+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br
InChI: InChI=1S/C17H24BrN3O2S/c1-10-5-4-6-14(11(10)2)19-17(24)21-20-16(22)12-7-8-15(23-3)13(18)9-12/h7-11,14H,4-6H2,1-3H3,(H,20,22)(H2,19,21,24)/t10-,11-,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)[C@@H](CC4=C3C=CC(=C4)O)O
InChI: InChI=1S/C20H24O3/c1-3-20(23)9-7-16-18-15(6-8-19(16,20)2)14-5-4-13(21)10-12(14)11-17(18)22/h1,4-5,10,15-18,21-23H,6-9,11H2,2H3/t15-,16+,17-,18-,19+,20+/m1/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=CC=CC5=CC=CC=C54)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)24-14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15-18,20H,1-4H3/t15-,16-,17-,18-,20+/m1/s1
SMILES: CNC(=O)[C@@H]1[C@@H]2C=C[C@]3([C@H]1C(=O)N([C@@H]3C(=O)NCC4=CC=C(C=C4)OC)CC#C)O2
InChI: InChI=1S/C22H23N3O5/c1-4-11-25-18(20(27)24-12-13-5-7-14(29-3)8-6-13)22-10-9-15(30-22)16(19(26)23-2)17(22)21(25)28/h1,5-10,15-18H,11-12H2,2-3H3,(H,23,26)(H,24,27)/t15-,16+,17+,18+,22+/m0/s1
SMILES: COC1=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)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)Br
InChI: InChI=1S/C45H33BrCl2F3N5O6/c1-62-35-19-24(46)18-32(38(35)57)37-29-15-16-30-36(42(60)55(40(30)58)28-13-11-27(12-14-28)53-26-5-3-2-4-6-26)31(29)20-33-41(59)56(43(61)44(33,37)22-7-9-25(47)10-8-22)54-39-34(48)17-23(21-52-39)45(49,50)51/h2-15,17-19,21,30-31,33,36-37,53,57H,16,20H2,1H3,(H,52,54)/t30-,31+,33-,36-,37+,44+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C27H24ClNO6/c1-4-34-27(32)19-9-12-21(13-10-19)29-23(17-5-7-18(8-6-17)26(31)33-3)24(25(29)30)35-22-14-11-20(28)15-16(22)2/h5-15,23-24H,4H2,1-3H3/t23-,24+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](CC(C[C@@H]1COCC2=CC=CC=C2)(C)C)CN(C)C[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C37H71NO3Si2/c1-15-43(16-2,17-3)41-34-31(23-37(10,11)24-32(34)28-39-27-30-21-19-18-20-22-30)25-38(12)26-33(35(4,5)6)29-40-42(13,14)36(7,8)9/h18-22,31-34H,15-17,23-29H2,1-14H3/t31-,32+,33+,34+/m0/s1
SMILES: CC1=C(CC[C@]2([C@H]1CCC3=C(C(=CC(=C32)O)C(C)CO)OC)C)C(=O)O
InChI: InChI=1S/C21H28O5/c1-11(10-22)15-9-17(23)18-14(19(15)26-4)5-6-16-12(2)13(20(24)25)7-8-21(16,18)3/h9,11,16,22-23H,5-8,10H2,1-4H3,(H,24,25)/t11?,16-,21-/m0/s1
SMILES: CC1(C[C@H]2C[C@]2([C@H]1OCC3=CC=CC=C3)C4=CCC[C@H]4/C=C/C(=O)OC)C
InChI: InChI=1S/C24H30O3/c1-23(2)14-19-15-24(19,22(23)27-16-17-8-5-4-6-9-17)20-11-7-10-18(20)12-13-21(25)26-3/h4-6,8-9,11-13,18-19,22H,7,10,14-16H2,1-3H3/b13-12+/t18-,19-,22-,24+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](O[C@@H]2C([C@H]1O2)(F)F)COC(=S)N3C=CN=C3
InChI: InChI=1S/C13H14F2N2O5S/c1-7(18)19-4-8-9(21-11-13(14,15)10(8)22-11)5-20-12(23)17-3-2-16-6-17/h2-3,6,8-11H,4-5H2,1H3/t8-,9-,10+,11+/m1/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Br)O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C41H30BrClF3N3O5/c1-48(37-30(43)15-17-32(47-37)41(44,45)46)49-38(53)25-14-13-24-27(34(25)39(49)54)19-29-36(52)26(21-8-4-2-5-9-21)20-33(51)40(29,22-10-6-3-7-11-22)35(24)28-18-23(42)12-16-31(28)50/h2-13,15-18,20,25,27,29,34-35,50H,14,19H2,1H3/t25-,27+,29-,34-,35+,40-/m0/s1
SMILES: C=CC[C@H](C[C@H]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)CO
InChI: InChI=1S/C40H46O6/c1-2-15-35(25-41)24-36-38(43-27-32-18-9-4-10-19-32)40(45-29-34-22-13-6-14-23-34)39(44-28-33-20-11-5-12-21-33)37(46-36)30-42-26-31-16-7-3-8-17-31/h2-14,16-23,35-41H,1,15,24-30H2/t35-,36+,37-,38+,39+,40-/m1/s1
SMILES: CCCCOC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=C[C@@H](C4)OCC)C)C
InChI: InChI=1S/C26H42O4/c1-5-7-16-29-24(27)30-23-11-10-21-20-9-8-18-17-19(28-6-2)12-14-25(18,3)22(20)13-15-26(21,23)4/h12,14,18-23H,5-11,13,15-17H2,1-4H3/t18-,19-,20-,21-,22-,23-,25-,26-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@H]3[C@@H]([C@H]([C@@H]([C@H]2OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OS(=O)(=O)O3
InChI: InChI=1S/C34H34O8S/c35-43(36)41-33-31(39-23-27-17-9-3-10-18-27)29(37-21-25-13-5-1-6-14-25)30(38-22-26-15-7-2-8-16-26)32(34(33)42-43)40-24-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29-,30-,31-,32+,33+,34-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]\2[C@@H](C(=O)N/[N+]2=C\C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C24H19F2N3O2/c1-15-2-6-17(7-3-15)22-21(27-23(30)18-8-12-20(26)13-9-18)24(31)28-29(22)14-16-4-10-19(25)11-5-16/h2-14,21-22H,1H3,(H-,27,28,30,31)/p+1/b29-14-/t21-,22+/m0/s1
SMILES: C=CCOC(=O)C1C(=CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)CO
InChI: InChI=1S/C19H20N2O5S/c1-2-8-26-19(25)16-13(10-22)11-27-18-15(17(24)21(16)18)20-14(23)9-12-6-4-3-5-7-12/h2-7,11,15-16,18,22H,1,8-10H2,(H,20,23)/t15-,16?,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(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C
InChI: InChI=1S/C48H42ClN5O6/c1-4-60-40-15-9-14-37(43(40)55)42-35-24-25-36-41(46(58)53(44(36)56)33-22-18-31(19-23-33)51-50-30-16-20-32(21-17-30)52(2)3)38(35)27-39-45(57)54(34-13-8-12-29(49)26-34)47(59)48(39,42)28-10-6-5-7-11-28/h5-24,26,36,38-39,41-42,55H,4,25,27H2,1-3H3/t36-,38+,39-,41-,42+,48+/m0/s1
SMILES: CCCC[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=C(/C=C/CCCOC(=O)N1)C(=C6)OC)C7=CC=CC=C7
InChI: InChI=1S/C42H49N5O9S/c1-4-6-16-32-39(49)47-25-29(21-35(47)38(48)45-42(24-28(42)5-2)40(50)46-57(52,53)30-17-18-30)56-37-22-33(26-13-9-7-10-14-26)43-34-23-36(54-3)27(20-31(34)37)15-11-8-12-19-55-41(51)44-32/h5,7,9-11,13-15,20,22-23,28-30,32,35H,2,4,6,8,12,16-19,21,24-25H2,1,3H3,(H,44,51)(H,45,48)(H,46,50)/b15-11+/t28-,29-,32+,35+,42-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CCOP(=O)(OC)OCC[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](CC7)(OO8)C)C)C)C
InChI: InChI=1S/C35H57O12P/c1-20-8-10-26-22(3)28(40-30-34(26)24(20)12-16-32(5,42-30)44-46-34)14-18-38-48(36,37-7)39-19-15-29-23(4)27-11-9-21(2)25-13-17-33(6)43-31(41-29)35(25,27)47-45-33/h20-31H,8-19H2,1-7H3/t20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34-,35-/m1/s1
SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)CC)CC)CC)CC)[C@@]([C@@]3(CC)O)(CC)O)CC
InChI: InChI=1S/C36H48N4O2/c1-9-21-22(10-2)28-18-30-24(12-4)26(14-6)32(39-30)20-34-36(42,16-8)35(41,15-7)33(40-34)19-31-25(13-5)23(11-3)29(38-31)17-27(21)37-28/h17-20,38-39,41-42H,9-16H2,1-8H3/t35-,36+
SMILES: C1[C@H]([C@@H]([C@H]([C@H](S1)SC2=CC=C(C=C2)C(=N)N)O)O)O
InChI: InChI=1S/C12H16N2O3S2/c13-11(14)6-1-3-7(4-2-6)19-12-10(17)9(16)8(15)5-18-12/h1-4,8-10,12,15-17H,5H2,(H3,13,14)/t8-,9+,10-,12-/m1/s1
SMILES: CC1=CC(=CS1)C(=O)N[C@@H]2[C@H](C[C@H]3C[C@@H]2C3(C)C)C/C=C\CCCC(=O)O
InChI: InChI=1S/C22H31NO3S/c1-14-10-16(13-27-14)21(26)23-20-15(8-6-4-5-7-9-19(24)25)11-17-12-18(20)22(17,2)3/h4,6,10,13,15,17-18,20H,5,7-9,11-12H2,1-3H3,(H,23,26)(H,24,25)/b6-4-/t15-,17-,18-,20+/m0/s1
SMILES: CCCCCCCCCCCCCCCCS(=O)(=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)O)OC
InChI: InChI=1S/C37H53NO9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-48(41,42)38-35-27-22-30-29(46-24-47-30)21-26(27)33(34-28(35)23-45-37(34)40)25-19-31(43-2)36(39)32(20-25)44-3/h19-22,28,33-35,38-39H,4-18,23-24H2,1-3H3/t28-,33+,34-,35+/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@H](CC(=O)NC2=C1)C(=O)NC3=CC=CC=C3C(F)(F)F)C
InChI: InChI=1S/C19H19F3N2O3/c1-18(2)8-13-16(14(25)9-18)10(7-15(26)23-13)17(27)24-12-6-4-3-5-11(12)19(20,21)22/h3-6,8,10,16H,7,9H2,1-2H3,(H,23,26)(H,24,27)/t10-,16-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1
InChI: InChI=1S/C58H59N5O12/c1-36(2)48(54(67)71-3)59-57(70)62-44-22-20-37(13-10-11-28-64)31-43(44)58(56(62)69)47(53(66)61-26-24-60(25-27-61)34-38-21-23-45-46(32-38)74-35-73-45)50-55(68)75-51(40-16-8-5-9-17-40)49(39-14-6-4-7-15-39)63(50)52(58)41-18-12-19-42(33-41)72-30-29-65/h4-9,12,14-23,31-33,36,47-52,64-65H,11,24-30,34-35H2,1-3H3,(H,59,70)/t47-,48-,49-,50-,51+,52+,58-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)C)C)[Se]C1
InChI: InChI=1S/C27H40O2Se/c1-16-7-12-27(30-15-16)17(2)24-23(29-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)N[C@@H]2CC(=O)N(C2)C3=CC=CC=C3
InChI: InChI=1S/C18H25N3O2/c1-13-7-5-6-10-16(13)20-18(23)19-14-11-17(22)21(12-14)15-8-3-2-4-9-15/h2-4,8-9,13-14,16H,5-7,10-12H2,1H3,(H2,19,20,23)/t13-,14+,16+/m0/s1
SMILES: C1C2C([C@@H]([C@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)SCC(=O)C(=O)CBr
InChI: InChI=1S/C14H15BrN5O7PS/c15-1-6(21)7(22)3-29-28(24)25-2-8-11(27-28)10(23)14(26-8)20-5-19-9-12(16)17-4-18-13(9)20/h4-5,8,10-11,14,23H,1-3H2,(H2,16,17,18)/t8?,10-,11?,14-,28?/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@H]([C@@H](C(=O)C=C(C2=CC=CC(=C2)C)C(=O)CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C)OC)C6=CC=CC=C6
InChI: InChI=1S/C51H57NO14/c1-32-17-15-24-38(27-32)39(28-41(56)44(64-34(3)54)47(59-4)49(57)52-33(2)43(66-51(52)58)37-22-13-8-14-23-37)40(55)25-16-26-61-48-46(63-31-36-20-11-7-12-21-36)45(42(29-53)65-50(48)60-5)62-30-35-18-9-6-10-19-35/h6-15,17-24,27-28,33,42-48,50,53H,16,25-26,29-31H2,1-5H3/t33-,42+,43-,44+,45+,46-,47-,48-,50-/m0/s1
SMILES: CCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)N[C@@H](CC5=CC=C(C=C5)OC)CO)N)O)O
InChI: InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1
SMILES: C/C=C\1/CN2CC[C@@]3(C4=CC=CC=C4N5[C@@]3([C@@H]2C[C@@H]1C(=C5)C(=O)OC)O)O
InChI: InChI=1S/C21H24N2O4/c1-3-13-11-22-9-8-20(25)16-6-4-5-7-17(16)23-12-15(19(24)27-2)14(13)10-18(22)21(20,23)26/h3-7,12,14,18,25-26H,8-11H2,1-2H3/b13-3-/t14-,18-,20-,21-/m0/s1
SMILES: COC1=C2C=C[C@@H]([C@@H](C2=C(C=C1)OC)O)C3=CC=CC=C3Br
InChI: InChI=1S/C18H17BrO3/c1-21-15-9-10-16(22-2)17-13(15)8-7-12(18(17)20)11-5-3-4-6-14(11)19/h3-10,12,18,20H,1-2H3/t12-,18+/m1/s1