EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)C1=C(N=C2CC(CC(=O)[C@@H]2[C@@H]1C3=CC=CC=C3OC)(C)C)C
InChI: InChI=1S/C22H27NO4/c1-6-27-21(25)18-13(2)23-15-11-22(3,4)12-16(24)20(15)19(18)14-9-7-8-10-17(14)26-5/h7-10,19-20H,6,11-12H2,1-5H3/t19-,20-/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=C5OC)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)I)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H29ClFIN2O7/c1-35-23(32(43)40(34(35)45)18-8-11-25(37)24(36)12-18)15-22-20(30(35)29-26(41)13-19(46-2)14-27(29)47-3)9-10-21-28(22)33(44)39(31(21)42)17-6-4-16(38)5-7-17/h4-9,11-14,21-23,28,30,41H,10,15H2,1-3H3/t21-,22+,23-,28-,30+,35+/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O)C
InChI: InChI=1S/C32H40N2O3/c1-22-10-9-15-25-20-27-28(30(35)32(22,25)2)26(31(36)37-27)21-33-16-18-34(19-17-33)29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-15,22,26-30,35H,9-10,16-21H2,1-2H3/t22-,26+,27-,28-,30+,32-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NC2=CC(=C(C=C2)C)S(=O)(=O)N(C)C
InChI: InChI=1S/C17H27N3O2S2/c1-12-7-5-6-8-15(12)19-17(23)18-14-10-9-13(2)16(11-14)24(21,22)20(3)4/h9-12,15H,5-8H2,1-4H3,(H2,18,19,23)/t12-,15-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H19N3O5/c1-12(18(25)22-14-8-6-13(10-21)7-9-14)28-17(24)11-23-19(26)15-4-2-3-5-16(15)20(23)27/h2-3,6-9,12,15-16H,4-5,11H2,1H3,(H,22,25)/t12-,15+,16+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N(CC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H27FN2O4S/c1-2-30-20-9-7-19(8-10-20)26(31(28,29)21-11-5-18(24)6-12-21)15-23(27)25-22-14-16-3-4-17(22)13-16/h5-12,16-17,22H,2-4,13-15H2,1H3,(H,25,27)/t16-,17+,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C=C/C3=CC=CC=C3)C(=O)OC)O)C(=O)OC
InChI: InChI=1S/C27H30O11/c1-14-13-16-18(23(29)34-2)22(38-17(28)12-11-15-9-7-6-8-10-15)21(26(32)37-5)27(33,19(14)24(30)35-3)20(16)25(31)36-4/h6-12,14,16,19-21,33H,13H2,1-5H3/b12-11+/t14-,16+,19-,20-,21?,27-/m1/s1
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=N[C@@H]5[C@H]4NC=N5
InChI: InChI=1S/C19H22N6O3S/c26-16(9-29-19-17-18(21-10-20-17)22-11-23-19)25-5-3-24(4-6-25)8-13-1-2-14-15(7-13)28-12-27-14/h1-2,7,10-11,17-18H,3-6,8-9,12H2,(H,20,21)/t17-,18-/m1/s1
SMILES: COC1=C(C=C(C=C1)OC(F)(F)F)CN[C@H]2CCN[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C19H21F3N2O2/c1-25-17-8-7-15(26-19(20,21)22)11-14(17)12-24-16-9-10-23-18(16)13-5-3-2-4-6-13/h2-8,11,16,18,23-24H,9-10,12H2,1H3/t16-,18-/m0/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]1[C@@]([C@@H](C2)SCC3=CC=C(C=C3)F)(C(=O)OCC)N)F
InChI: InChI=1S/C19H23F2NO4S/c1-3-25-16(23)18(21)13-9-14(19(22,15(13)18)17(24)26-4-2)27-10-11-5-7-12(20)8-6-11/h5-8,13-15H,3-4,9-10,22H2,1-2H3/t13-,14-,15+,18-,19+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C=C(C(=O)C[C@@H]2C3=CC=CC=C3)[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C37H53NO3Si/c1-25(2)42(26(3)4,27(5)6)35-24-38(32(23-33(35)39)29-16-12-10-13-17-29)36(40)41-34-22-28(7)20-21-31(34)37(8,9)30-18-14-11-15-19-30/h10-19,24-28,31-32,34H,20-23H2,1-9H3/t28-,31-,32-,34-/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC
InChI: InChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)Br)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C34H24BrNO4/c1-40-24-15-11-20(12-16-24)29-30(31(37)21-7-3-2-4-8-21)36-27-17-14-23(35)19-22(27)13-18-28(36)34(29)32(38)25-9-5-6-10-26(25)33(34)39/h2-19,28-30H,1H3/t28-,29+,30-/m1/s1
SMILES: COC1=CC=CC=C1/C=C/C(=O)N2C[C@H]3[C@@]4(CC[C@H]([C@]3(C2)C(=O)OC)C5=CC=CC=C54)C6=CC7=C(C=C6)OC=CN7
InChI: InChI=1S/C34H32N2O5/c1-39-28-10-6-3-7-22(28)11-14-31(37)36-20-30-33(23-12-13-29-27(19-23)35-17-18-41-29)16-15-26(24-8-4-5-9-25(24)33)34(30,21-36)32(38)40-2/h3-14,17-19,26,30,35H,15-16,20-21H2,1-2H3/b14-11+/t26-,30-,33-,34-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@]2([C@H](C2(Cl)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C29H24Cl2O2/c1-32-25-16-12-23(13-17-25)28(27(29(28,30)31)22-10-6-3-7-11-22)24-14-18-26(19-15-24)33-20-21-8-4-2-5-9-21/h2-19,27H,20H2,1H3/t27-,28-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)O5)C
InChI: InChI=1S/C19H28O3/c1-18-6-5-12-10(11(18)3-4-17(18)21)7-14(20)13-8-15-16(22-15)9-19(12,13)2/h10-13,15-17,21H,3-9H2,1-2H3/t10-,11-,12-,13+,15-,16+,17-,18-,19+/m0/s1
SMILES: C[C@H](CCC(C(=O)OC)(F)F)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C28H42F2O4/c1-17(10-15-28(29,30)25(32)33-5)22-8-9-23-21-7-6-19-16-20(34-18(2)31)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17,20-24H,7-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3
InChI: InChI=1S/C21H23NO2/c1-14-6-2-5-9-18(14)22-13-16-12-20(23)24-19-11-10-15-7-3-4-8-17(15)21(16)19/h3-4,7-8,10-12,14,18,22H,2,5-6,9,13H2,1H3/t14-,18-/m0/s1
SMILES: C[C@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)/C=C/C(=C)C
InChI: InChI=1S/C15H19NO2S/c1-11(2)5-10-15-13(4)16(15)19(17,18)14-8-6-12(3)7-9-14/h5-10,13,15H,1H2,2-4H3/b10-5+/t13-,15+,16?/m0/s1
SMILES: C[C@H]1[C@@H](OC(=O)CC1C[Se]C2=CC=CC=C2)/C(=C/C(=C/C(C)(C)C)/C)/C
InChI: InChI=1S/C23H32O2Se/c1-16(14-23(4,5)6)12-17(2)22-18(3)19(13-21(24)25-22)15-26-20-10-8-7-9-11-20/h7-12,14,18-19,22H,13,15H2,1-6H3/b16-14+,17-12+/t18-,19?,22+/m1/s1
SMILES: CC1=C2CC[C@H]3[C@](C2=CC(=C1O)O)(CC[C@@]4([C@@]3(CC[C@@]5(C4C[C@](CC5)(C)C(=O)OC)C)C)C)C
InChI: InChI=1S/C30H44O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h16,22-23,31-32H,8-15,17H2,1-7H3/t22-,23?,26+,27+,28-,29+,30-/m0/s1
SMILES: CC1(CCCC23[C@@H]1[C@@H]([C@@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)C
InChI: InChI=1S/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3/t11-,12-,13+,15+,16-,18?,19-,20-/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@H](C)OC(=O)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C31H33NO8S/c1-18-27(17-41-26-13-11-23(12-14-26)30(36)37)39-31(40-28(18)22-9-7-21(16-33)8-10-22)24-5-4-6-25(15-24)32-29(35)19(2)38-20(3)34/h4-15,18-19,27-28,31,33H,16-17H2,1-3H3,(H,32,35)(H,36,37)/t18-,19-,27+,28+,31+/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCCl
InChI: InChI=1S/C48H59ClN2O10S/c1-3-23-59-48-44(51(47(54)56-24-20-49)31-33-16-18-42-43(27-33)58-32-57-42)30-40(50-60-4-2)38-28-34(12-8-10-21-52)37(15-9-11-22-53)45(46(38)48)39-29-35(17-19-41(39)61-48)55-25-26-62-36-13-6-5-7-14-36/h3,5-7,13-14,16-19,27-29,34,37,44-46,52-53H,1,4,8-12,15,20-26,30-32H2,2H3/t34-,37+,44-,45+,46+,48+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1[NH2+]CC2=CC3=C(C=C(C=C3)OC)NC2=O
InChI: InChI=1S/C18H24N2O2/c1-12-5-3-4-6-16(12)19-11-14-9-13-7-8-15(22-2)10-17(13)20-18(14)21/h7-10,12,16,19H,3-6,11H2,1-2H3,(H,20,21)/p+1/t12-,16+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C22H20N2O3/c25-20(13-4-2-1-3-5-13)23-16-8-10-17(11-9-16)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-5,8-11,14-15,18-19H,6-7,12H2,(H,23,25)/t14-,15+,18-,19+
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C7=CC(=C(C=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI: InChI=1S/C58H50O12/c59-43-23-21-39(25-45(43)61)56-47(63)29-42-44(60)30-46(62)52(58(42)70-56)54-53-50(68-34-38-19-11-4-12-20-38)27-41(65-31-35-13-5-1-6-14-35)28-51(53)69-57(55(54)64)40-22-24-48(66-32-36-15-7-2-8-16-36)49(26-40)67-33-37-17-9-3-10-18-37/h1-28,30,47,54-57,59-64H,29,31-34H2/t47-,54+,55-,56-,57-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)CCCNC(=O)NC3=CC4=CC=CC=C4C=C3)C)O)(C)O
InChI: InChI=1S/C43H70N4O10/c1-11-34-43(8,54)37(50)29(6)47(20-14-19-44-41(52)45-32-18-17-30-15-12-13-16-31(30)22-32)24-25(2)23-42(7,53)38(27(4)35(48)28(5)39(51)56-34)57-40-36(49)33(46(9)10)21-26(3)55-40/h12-13,15-18,22,25-29,33-38,40,48-50,53-54H,11,14,19-21,23-24H2,1-10H3,(H2,44,45,52)/t25-,26-,27+,28-,29-,33+,34-,35+,36-,37-,38-,40+,42-,43-/m1/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CC[C@@H]4O)C
InChI: InChI=1S/C19H32O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+,19+/m1/s1
SMILES: C[C@H]1CC[C@@H](O[C@H]1C(=C)C=O)[C@@H](C)COCOCC[Si](C)(C)C
InChI: InChI=1S/C18H34O4Si/c1-14-7-8-17(22-18(14)15(2)11-19)16(3)12-21-13-20-9-10-23(4,5)6/h11,14,16-18H,2,7-10,12-13H2,1,3-6H3/t14-,16-,17+,18+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)/C=C/C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18N2O5/c27-20(11-4-14-2-1-3-19(12-14)26(30)31)15-7-9-18(10-8-15)25-23(28)21-16-5-6-17(13-16)22(21)24(25)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22-/m0/s1
SMILES: C[C@H]1[C@@H](N(C(=O)O1)S(=O)(=O)C2=CC=C(C=C2)C)C(=C)CC=C
InChI: InChI=1S/C16H19NO4S/c1-5-6-12(3)15-13(4)21-16(18)17(15)22(19,20)14-9-7-11(2)8-10-14/h5,7-10,13,15H,1,3,6H2,2,4H3/t13-,15-/m0/s1
SMILES: CC[C@]12C[C@@H]([C@H]3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=CC(=C5)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C21H25N3O4/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-11-13(24(26)27)5-6-16(15)22-17(21)14(12-20)18(25)28-2/h4-7,11,14,17,19,22H,3,8-10,12H2,1-2H3/t14-,17-,19-,20-,21-/m0/s1
SMILES: B1(O[C@@H]([C@@](O1)(C)C2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@H]6[C@@H](C5)OC(O6)(C)C)C)C)O)CCC(C)(C)OC(=O)C)C7=CC=CC=C7
InChI: InChI=1S/C38H53BO8/c1-23(40)43-33(2,3)17-16-32-37(8,47-39(46-32)24-12-10-9-11-13-24)31-15-19-38(42)26-20-28(41)27-21-29-30(45-34(4,5)44-29)22-35(27,6)25(26)14-18-36(31,38)7/h9-13,20,25,27,29-32,42H,14-19,21-22H2,1-8H3/t25-,27-,29+,30-,31?,32+,35+,36+,37+,38+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(F)F)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC/C=C/C5=CC6=CC=CC=C6N=C5)C)C)C
InChI: InChI=1S/C43H58F2N4O9/c1-10-32-42(7)35-26(4)33(46-17-18-49(35)40(53)58-42)24(2)22-41(6,54-19-13-14-28-21-29-15-11-12-16-30(29)47-23-28)37(27(5)36(51)43(44,45)39(52)56-32)57-38-34(50)31(48(8)9)20-25(3)55-38/h11-16,21,23-27,31-32,34-35,37-38,50H,10,17-20,22H2,1-9H3/b14-13+/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41+,42-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C=C7)O)OC)Cl)C8=CC=C(C=C8)F)Cl)OC)OC
InChI: InChI=1S/C38H33Cl2FN6O9/c1-43-25-17-30(56-4)29(55-3)16-24(25)42-23(32(43)49)12-13-44-35(52)45-14-11-22-26(47(45)36(44)53)18-37(39)33(50)46(21-8-6-20(41)7-9-21)34(51)38(37,40)31(22)19-5-10-27(48)28(15-19)54-2/h5-11,15-17,26,31,48H,12-14,18H2,1-4H3/t26-,31+,37-,38+/m1/s1
SMILES: CC1=CC(=C(C=C1C)OCC2=CC=CC=C2)C(=O)[C@@H]3[C@@H](O3)C4=NN(N=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H23N3O3/c1-17-13-21(23(14-18(17)2)31-16-19-9-5-3-6-10-19)24(30)26-25(32-26)22-15-27-29(28-22)20-11-7-4-8-12-20/h3-15,25-26H,16H2,1-2H3/t25-,26+/m0/s1
SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
InChI: InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CCC(=O)N(C5=O)C
InChI: InChI=1S/C21H26N4O2/c1-23-11-13(12-25-7-6-19(26)24(2)21(25)27)8-16-15-4-3-5-17-20(15)14(10-22-17)9-18(16)23/h3-5,10,13,16,18,22H,6-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
SMILES: C1CC1C(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@H]3S2)C4=CC5=C(C=C4)OCCO5
InChI: InChI=1S/C17H18N2O5S2/c20-16(10-1-2-10)18-17-19(12-8-26(21,22)9-15(12)25-17)11-3-4-13-14(7-11)24-6-5-23-13/h3-4,7,10,12,15H,1-2,5-6,8-9H2/t12-,15-/m1/s1
SMILES: C1CC(=O)O[C@H]2CN(C[C@@H]2OC(=O)CCC(=O)OC3CN(C[C@@H]3OC(=O)CCC(=O)O[C@H]4CN(C[C@@H]4OC1=O)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C45H51N3O12/c49-40-16-18-42(51)57-36-27-47(23-32-12-6-2-7-13-32)29-38(36)59-44(53)20-21-45(54)60-39-30-48(24-33-14-8-3-9-15-33)28-37(39)58-43(52)19-17-41(50)56-35-26-46(25-34(35)55-40)22-31-10-4-1-5-11-31/h1-15,34-39H,16-30H2/t34-,35-,36-,37-,38-,39?/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)[C@@H](C)CCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)OC4=CC=CC=C4
InChI: InChI=1S/C37H54NO10P/c1-23(2)45-37(42)27(6)38-49(43,48-30-10-8-7-9-11-30)22-44-17-16-26(5)36(41)47-33-19-24(3)18-28-13-12-25(4)32(35(28)33)15-14-31-20-29(39)21-34(40)46-31/h7-13,18,23-27,29,31-33,35,39H,14-17,19-22H2,1-6H3,(H,38,43)/t24-,25-,26-,27-,29+,31+,32-,33-,35-,49?/m0/s1
SMILES: CC[C@@H]([C@@H](CC=C)C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)NOCC4=CC=CC=C4
InChI: InChI=1S/C25H36N2O4S/c1-5-10-20(21(6-2)26-31-16-18-11-8-7-9-12-18)23(28)27-22-15-19-13-14-25(22,24(19,3)4)17-32(27,29)30/h5,7-9,11-12,19-22,26H,1,6,10,13-17H2,2-4H3/t19-,20-,21+,22-,25-/m1/s1
SMILES: CCOC(=O)[C@]1([C@@H]2C=CC(=CN2[C@@H]([C@H]1C3=CC(=CC=C3)Br)C(=O)N)C(=O)C)C#N
InChI: InChI=1S/C21H20BrN3O4/c1-3-29-20(28)21(11-23)16-8-7-14(12(2)26)10-25(16)18(19(24)27)17(21)13-5-4-6-15(22)9-13/h4-10,16-18H,3H2,1-2H3,(H2,24,27)/t16-,17+,18-,21-/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H24N4O6/c1-2-3-14-36-19-11-9-17(10-12-19)28-25(32)21-20-8-5-13-27-29(20)23(22(21)26(28)33)24(31)16-6-4-7-18(15-16)30(34)35/h4-13,15,20-23H,2-3,14H2,1H3/t20-,21-,22-,23+/m1/s1
SMILES: CCCC(C/C=C\C=C\C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@@]3([C@@H]([C@H]2OC(=O)/C=C/C=C/CC(/C(=C/C=C/CCC(C)CC)/C)O)O)C4=C(CO3)C=C(C=C4O)O)CO)O)O)O)O
InChI: InChI=1S/C47H66O17/c1-5-16-31(49)19-12-8-14-21-37(53)59-27-36-40(55)41(56)42(57)46(61-36)63-43-35(25-48)64-47(39-30(26-60-47)23-32(50)24-34(39)52)45(58)44(43)62-38(54)22-15-9-13-20-33(51)29(4)18-11-7-10-17-28(3)6-2/h7-9,11-15,18,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,10,16-17,19-20,25-27H2,1-4H3/b11-7+,12-8-,13-9+,21-14+,22-15+,29-18+/t28?,31?,33?,35-,36-,40+,41+,42-,43+,44+,45-,46+,47-/m1/s1
SMILES: C[C@@]1(CC[C@H]([C@@H](C1)CC2=CC(=C3C(=CC(=C(C3=C2OC)OC)[Si](C)(C)C)OC)OC)C(=O)OC)OC
InChI: InChI=1S/C28H42O7Si/c1-28(35-7)12-11-19(27(29)34-6)18(16-28)13-17-14-20(30-2)23-21(31-3)15-22(36(8,9)10)26(33-5)24(23)25(17)32-4/h14-15,18-19H,11-13,16H2,1-10H3/t18-,19-,28+/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OP(=O)(C3=CC=CC=C3)OC)C(=O)OC
InChI: InChI=1S/C17H24NO5P/c1-18-12-9-10-14(18)16(17(19)21-2)15(11-12)23-24(20,22-3)13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t12-,14+,15-,16+,24?/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=C3C(=O)OC)C(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H16BrN3O5/c1-11-3-9-14(10-4-11)24-19(27)15-16(21(29)30-2)23-25(17(15)20(24)28)18(26)12-5-7-13(22)8-6-12/h3-10,15,17H,1-2H3/t15-,17+/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@H](C)OC(=O)C)CN4CCC[C@H]4CO
InChI: InChI=1S/C29H38N2O7/c1-18-26(15-31-13-5-8-25(31)17-33)37-29(38-27(18)22-11-9-21(16-32)10-12-22)23-6-4-7-24(14-23)30-28(35)19(2)36-20(3)34/h4,6-7,9-12,14,18-19,25-27,29,32-33H,5,8,13,15-17H2,1-3H3,(H,30,35)/t18-,19+,25+,26+,27+,29+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2C=C(O[C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COS(=O)(=O)O
InChI: InChI=1S/C27H28O8S/c28-36(29,30)34-20-24-16-25(31-17-21-10-4-1-5-11-21)26(32-18-22-12-6-2-7-13-22)27(35-24)33-19-23-14-8-3-9-15-23/h1-16,25-27H,17-20H2,(H,28,29,30)/t25-,26+,27+/m0/s1
SMILES: COCCOCO[C@H]1[C@H](N(S(=O)(=O)N([C@@H]([C@@H]1OCOCCOC)COC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)C(=O)OC)COC5=CC=CC=C5
InChI: InChI=1S/C44H54N2O14S/c1-51-23-25-55-31-59-41-39(29-57-37-11-7-5-8-12-37)45(27-33-15-19-35(20-16-33)43(47)53-3)61(49,50)46(28-34-17-21-36(22-18-34)44(48)54-4)40(30-58-38-13-9-6-10-14-38)42(41)60-32-56-26-24-52-2/h5-22,39-42H,23-32H2,1-4H3/t39-,40-,41+,42+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H]([C@@]1(COC(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H23NO10/c1-7(18)17-14-12(25-9(3)20)13(26-10(4)21)15(27-11(5)22)16(14,23)6-24-8(2)19/h12-15,23H,6H2,1-5H3,(H,17,18)/t12-,13+,14+,15+,16-/m0/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)OC
InChI: InChI=1S/C27H25BrN2O5/c1-3-15-34-20-12-10-18(11-13-20)29-26(31)23-24(21-16-17(28)9-14-22(21)33-2)30(35-25(23)27(29)32)19-7-5-4-6-8-19/h4-14,16,23-25H,3,15H2,1-2H3/t23-,24+,25+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)OC(=O)/C=C/C6=CC(=C(C=C6)O)O
InChI: InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(36(4,23-40)29(35)13-16-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N6CC6)S(=O)(=O)C
InChI: InChI=1S/C30H33NO11S/c1-13-29(43(4,38)39)17(31-8-9-31)10-20(41-13)42-19-12-30(37,14(2)32)11-16-22(19)28(36)24-23(26(16)34)25(33)15-6-5-7-18(40-3)21(15)27(24)35/h5-7,13,17,19-20,29,34,36-37H,8-12H2,1-4H3/t13-,17-,19-,20-,29+,30-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSC[C@H](C(=O)N)N
InChI: InChI=1S/C21H21ClN8O6S4/c22-15-11(28-21(25)40-15)12(29-36)17(32)27-13-18(33)30-14(20(34)35)10(6-38-19(13)30)39-9-1-2-26-3-7(9)4-37-5-8(23)16(24)31/h1-3,8,13,19,36H,4-6,23H2,(H2,24,31)(H2,25,28)(H,27,32)(H,34,35)/b29-12+/t8-,13-,19-/m1/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C15H13NO4/c17-13-12-11(14(18)19)10-6-7-15(12,20-10)8-16(13)9-4-2-1-3-5-9/h1-7,10-12H,8H2,(H,18,19)/t10-,11-,12-,15-/m1/s1
SMILES: [Li+].[Li+].CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCCCCCCNC(=O)C(F)(F)F)O
InChI: InChI=1S/C18H28F3N3O12P2.2Li/c1-11-9-24(17(28)23-15(11)26)14-8-12(25)13(35-14)10-34-38(31,32)36-37(29,30)33-7-5-3-2-4-6-22-16(27)18(19,20)21;;/h9,12-14,25H,2-8,10H2,1H3,(H,22,27)(H,29,30)(H,31,32)(H,23,26,28);;/q;2*+1/p-2/t12-,13+,14+;;/m0../s1
SMILES: C[C@@H]1CC[C@]2(CC3(CC[C@@H]2[C@@]1(C)C=C)OCCO3)COC(=O)C
InChI: InChI=1S/C19H30O4/c1-5-17(4)14(2)6-8-18(13-21-15(3)20)12-19(9-7-16(17)18)22-10-11-23-19/h5,14,16H,1,6-13H2,2-4H3/t14-,16-,17+,18+/m1/s1
SMILES: C[C@@H](C/C=C\[C@@H]1[C@@H](OC(O1)(C)C)CC/C=C/C2=C(C(=CC(=C2)OCOC)OCOC)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H49BrO7Si/c1-22(38-39(9,10)29(2,3)4)14-13-17-26-25(36-30(5,6)37-26)16-12-11-15-23-18-24(34-20-32-7)19-27(28(23)31)35-21-33-8/h11,13,15,17-19,22,25-26H,12,14,16,20-21H2,1-10H3/b15-11+,17-13-/t22-,25-,26+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br
InChI: InChI=1S/C19H27BrN2O2/c1-15-4-2-3-5-18(15)21-10-12-22(13-11-21)19(23)14-24-17-8-6-16(20)7-9-17/h6-9,15,18H,2-5,10-14H2,1H3/t15-,18+/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC3=C(N=CN=C32)N)O)O)CO
InChI: InChI=1S/C12H16N4O3/c13-11-7-1-2-16(12(7)15-5-14-11)8-3-6(4-17)9(18)10(8)19/h1-2,5-6,8-10,17-19H,3-4H2,(H2,13,14,15)/t6-,8-,9-,10+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)[C@@H](CO)O
InChI: InChI=1S/C28H51N5O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(37)33-25(21(36)18-34)26-24(31-19(2)35)20(32-28(29)30)17-22(40-26)27(38)39/h17,20-21,24-26,34,36H,3-16,18H2,1-2H3,(H,31,35)(H,33,37)(H,38,39)(H4,29,30,32)/t20-,21+,24+,25+,26+/m0/s1
SMILES: COC(=O)[C@@H]1C[C@@]2(C3=C(C=CC(=C3)N)NC2=O)N4[C@@H]1CCC4
InChI: InChI=1S/C16H19N3O3/c1-22-14(20)10-8-16(19-6-2-3-13(10)19)11-7-9(17)4-5-12(11)18-15(16)21/h4-5,7,10,13H,2-3,6,8,17H2,1H3,(H,18,21)/t10-,13-,16+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]25CCC(=O)O5)C6=CC=C(C=C6)N(C)C
InChI: InChI=1S/C29H35NO3/c1-28-17-24(18-4-7-20(8-5-18)30(2)3)27-22-11-9-21(31)16-19(22)6-10-23(27)25(28)12-14-29(28)15-13-26(32)33-29/h4-5,7-8,16,23-25H,6,9-15,17H2,1-3H3/t23-,24+,25-,28-,29+/m0/s1
SMILES: C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C13H14ClNO5/c14-6-1-2-7-8(3-6)15-4-9(7)19-13-12(18)11(17)10(5-16)20-13/h1-4,10-13,15-18H,5H2/t10-,11-,12+,13+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI: InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)11(20-3)22-12-10(19)8(17)6(15)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1
SMILES: C[C@@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN(CC4=CC=CC=C4)CC5=CC=CC=C5)C
InChI: InChI=1S/C29H35NO2/c1-21-10-9-15-29(2)17-27-24(16-26(21)29)25(28(31)32-27)20-30(18-22-11-5-3-6-12-22)19-23-13-7-4-8-14-23/h3-8,11-14,16,21,24-25,27H,9-10,15,17-20H2,1-2H3/t21-,24-,25+,27-,29-/m1/s1
SMILES: CCCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC3=NN=NN23)C(=O)OC
InChI: InChI=1S/C17H21N5O3/c1-4-5-10-25-13-9-7-6-8-12(13)15-14(16(23)24-3)11(2)18-17-19-20-21-22(15)17/h6-9,14-15H,2,4-5,10H2,1,3H3,(H,18,19,21)/t14-,15+/m0/s1
SMILES: CC(C)N(C(C)C)S(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)C[C@H]2SCl
InChI: InChI=1S/C16H30ClNO2S2/c1-11(2)18(12(3)4)22(19,20)10-16-8-7-13(15(16,5)6)9-14(16)21-17/h11-14H,7-10H2,1-6H3/t13-,14-,16-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C5=CSC(=N5)C6=CC=CC=C6)C)O
InChI: InChI=1S/C28H33NO2S/c1-27-13-12-19(30)14-18(27)8-9-20-21-10-11-22(28(21,2)15-24(31)25(20)27)23-16-32-26(29-23)17-6-4-3-5-7-17/h3-7,14,16,20-22,24-25,31H,8-13,15H2,1-2H3/t20-,21-,22+,24-,25+,27-,28-/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NC4=CC=CC=C4F)CC[C@@H]5[C@@]3(C=C(C(=O)N5C)F)C
InChI: InChI=1S/C26H32F2N2O2/c1-25-13-12-17-15(8-11-22-26(17,2)14-20(28)24(32)30(22)3)16(25)9-10-18(25)23(31)29-21-7-5-4-6-19(21)27/h4-7,14-18,22H,8-13H2,1-3H3,(H,29,31)/t15?,16-,17?,18+,22+,25-,26+/m0/s1
SMILES: CCC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](NC(=O)C[C@@H](C(C1=O)(C)C)O)C2=CC3=C(C=C2)SC(=N3)C)/C)C)O
InChI: InChI=1S/C30H44N2O4S/c1-7-9-22-28(35)19(3)11-8-10-18(2)12-14-23(21-13-15-25-24(16-21)31-20(4)37-25)32-27(34)17-26(33)30(5,6)29(22)36/h12-13,15-16,19,22-23,26,28,33,35H,7-11,14,17H2,1-6H3,(H,32,34)/b18-12-/t19-,22+,23-,26-,28-/m0/s1
SMILES: COC1=C(C=C(C(=C1)CN[C@H]2CCN[C@H]2C3=CC=CC=C3)Br)OC
InChI: InChI=1S/C19H23BrN2O2/c1-23-17-10-14(15(20)11-18(17)24-2)12-22-16-8-9-21-19(16)13-6-4-3-5-7-13/h3-7,10-11,16,19,21-22H,8-9,12H2,1-2H3/t16-,19-/m0/s1
SMILES: C1CCCC(CC1)N2C(=O)[C@@H]3[C@@H](N[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)N
InChI: InChI=1S/C23H28N4O4/c24-17(28)12-11-16-18-19(21(30)27(20(18)29)13-7-3-1-2-4-8-13)23(26-16)14-9-5-6-10-15(14)25-22(23)31/h5-6,9-10,13,16,18-19,26H,1-4,7-8,11-12H2,(H2,24,28)(H,25,31)/t16-,18+,19-,23-/m0/s1
SMILES: C=CCCCCCCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]([C@@H]2C1=O)C4=CC=CC=C34)NC(=O)CO[C@@H](C5=C6C=CC=CC6=CC7=CC=CC=C75)C(F)(F)F
InChI: InChI=1S/C43H45F3N2O4/c1-2-3-4-5-6-7-8-9-16-23-48-41(50)38-33-25-34(37(39(38)42(48)51)32-22-15-14-21-31(32)33)47-35(49)26-52-40(43(44,45)46)36-29-19-12-10-17-27(29)24-28-18-11-13-20-30(28)36/h2,10-15,17-22,24,33-34,37-40H,1,3-9,16,23,25-26H2,(H,47,49)/t33-,34-,37-,38+,39-,40-/m0/s1
SMILES: C[C@]1([C@@H]2[C@]1(C(=O)OC3=CC=CC=C23)C(=O)N4CCOCC4)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H21NO5/c1-22(19(25)15-7-3-2-4-8-15)18-16-9-5-6-10-17(16)29-21(27)23(18,22)20(26)24-11-13-28-14-12-24/h2-10,18H,11-14H2,1H3/t18-,22+,23-/m1/s1
SMILES: CC(CCC[C@]1([C@@H](C=CC(=O)CO1)OCC2=CC=CC=C2)C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C36H46O4Si/c1-29(26-40-41(35(2,3)4,32-19-11-7-12-20-32)33-21-13-8-14-22-33)16-15-25-36(5)34(24-23-31(37)28-39-36)38-27-30-17-9-6-10-18-30/h6-14,17-24,29,34H,15-16,25-28H2,1-5H3/t29?,34-,36+/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)C
InChI: InChI=1S/C17H19NO3/c1-8-3-4-11(5-9(8)2)18-16(19)14-10-6-12-13(7-10)21-17(20)15(12)14/h3-5,10,12-15H,6-7H2,1-2H3,(H,18,19)/t10-,12+,13-,14+,15+/m1/s1
SMILES: CCOC(=O)C1([C@H]2[C@@H]1[C@@H]([C@H](C2)COC(C)(C)C)OC3CCCCO3)C#N
InChI: InChI=1S/C20H31NO5/c1-5-23-18(22)20(12-21)14-10-13(11-25-19(2,3)4)17(16(14)20)26-15-8-6-7-9-24-15/h13-17H,5-11H2,1-4H3/t13-,14-,15?,16-,17-,20?/m1/s1