EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1[C@@]([C@@H]([C@H](C2=C(C[C@](O2)([C@@H](C(C(C(C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21?,22?,23+,24+,25?,26+,27-,29?,30-,31+,32-,34+,35-,36+,37-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]\3[C@H]([C@@H]([C@H](O2)C(/C3=C\C4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C36H36O6/c1-38-29-19-17-28(18-20-29)24-41-36-31-30(21-25-11-5-2-6-12-25)32(37)34(42-36)35(40-23-27-15-9-4-10-16-27)33(31)39-22-26-13-7-3-8-14-26/h2-21,31-37H,22-24H2,1H3/b30-21-/t31-,32?,33+,34+,35-,36-/m0/s1
SMILES: CC([C@H]1CC[C@]2([C@@]1([C@@H]([C@H]([C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)O)C)O)O
InChI: InChI=1S/C21H34O5/c1-11(22)14-7-9-21(26)15-5-4-12-10-13(23)6-8-19(12,2)16(15)17(24)18(25)20(14,21)3/h4,11,13-18,22-26H,5-10H2,1-3H3/t11?,13-,14+,15+,16+,17-,18+,19-,20-,21-/m0/s1
SMILES: C[N+](C)(C)[C@H]([C@@H]1CCC2=CC=CC=C2[C@H]1O)C3=CC=CC=C3.[I-]
InChI: InChI=1S/C20H26NO.HI/c1-21(2,3)19(16-10-5-4-6-11-16)18-14-13-15-9-7-8-12-17(15)20(18)22;/h4-12,18-20,22H,13-14H2,1-3H3;1H/q+1;/p-1/t18-,19-,20+;/m0./s1
SMILES: CCCN[C@H]1C[C@H](O[C@H]([C@H]1O)O[C@@H]2[C@@H](C(=O)[C@](C(=O)O[C@@H]([C@@]3(C([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)N(C(=O)O3)CCCCN4C=NC5=CC=CC=C54)C)CC)(C)F)C)C
InChI: InChI=1S/C43H65FN4O10/c1-11-19-45-30-22-26(4)55-38(34(30)50)57-37-28(6)36(51)42(8,44)39(52)56-32(12-2)43(9)35(27(5)33(49)25(3)23-41(37,7)54-10)48(40(53)58-43)21-16-15-20-47-24-46-29-17-13-14-18-31(29)47/h13-14,17-18,24-28,30,32,34-35,37-38,45,50H,11-12,15-16,19-23H2,1-10H3/t25-,26-,27+,28-,30+,32-,34+,35?,37-,38+,41-,42+,43-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C23H25NO5S/c1-13(2)29-23(28)19-18(15-10-8-14(3)9-11-15)12-30-21(19)24-20(25)16-6-4-5-7-17(16)22(26)27/h4-5,8-13,16-17H,6-7H2,1-3H3,(H,24,25)(H,26,27)/t16-,17-/m1/s1
SMILES: C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@H]3C=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H27ClN2O/c26-19-11-8-17(9-12-19)24-21-7-5-6-20(21)22-16-18(10-13-23(22)27-24)25(29)28-14-3-1-2-4-15-28/h5-6,8-13,16,20-21,24,27H,1-4,7,14-15H2/t20-,21-,24+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C16H18N2O5/c1-9-2-4-10(5-3-9)11-7-18(16(22)17-15(11)21)14-6-12(20)13(8-19)23-14/h2-5,7,12-14,19-20H,6,8H2,1H3,(H,17,21,22)/t12-,13+,14+/m0/s1
SMILES: CC(CC1=CC=C(C=C1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)NC
InChI: InChI=1S/C17H25NO7/c1-9(18-2)8-10-4-6-11(7-5-10)24-17-14(21)12(19)13(20)15(25-17)16(22)23-3/h4-7,9,12-15,17-21H,8H2,1-3H3/t9?,12-,13-,14+,15-,17-/m0/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)OC(=O)NS(=O)(=O)N3CCNCC3)OC
InChI: InChI=1S/C36H52N6O11S/c1-8-12-39-30-25-17-21(2)18-29(51-7)33(53-36(47)41-54(48,49)42-15-13-38-14-16-42)24(5)19-23(4)32(52-35(37)46)28(50-6)11-9-10-22(3)34(45)40-26(31(25)44)20-27(30)43/h8-11,19-21,24,28-29,32-33,38-39H,1,12-18H2,2-7H3,(H2,37,46)(H,40,45)(H,41,47)/b11-9-,22-10+,23-19+/t21-,24+,28+,29+,32+,33-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)S(=O)(=O)C)O
InChI: InChI=1S/C32H52N4O8S2/c1-31(2,3)35-28(38)25-18-22-15-11-12-16-23(22)19-36(25)20-26(37)24(17-21-13-9-8-10-14-21)33-29(39)27(32(4,5)46(7,43)44)34-30(40)45(6,41)42/h8-10,13-14,22-27,37H,11-12,15-20H2,1-7H3,(H,33,39)(H,34,40)(H,35,38)/t22-,23+,24-,25-,26+,27+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3CC[C@H](C[C@H]3C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C22H23NO2/c1-14-8-11-20(15(2)12-14)23-21(24)18-10-9-17(13-19(18)22(23)25)16-6-4-3-5-7-16/h3-8,11-12,17-19H,9-10,13H2,1-2H3/t17-,18-,19-/m1/s1
SMILES: C[C@]12CCC[C@]([C@H]1CC3=CC=CC=C3)(OC2=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C22H24O3/c1-21-13-6-14-22(25-20(21)23,17-9-11-18(24-2)12-10-17)19(21)15-16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-15H2,1-2H3/t19-,21-,22-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H17NO4/c1-10(11-5-3-2-4-6-11)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h2-8,10,12-14H,9H2,1H3,(H,20,21)/t10-,12-,13-,14-,17-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C3=C2N=C(N=C3OC)N)I)OCC=C
InChI: InChI=1S/C21H33IN4O4Si/c1-8-9-28-14-10-16(30-15(14)12-29-31(6,7)21(2,3)4)26-11-13(22)17-18(26)24-20(23)25-19(17)27-5/h8,11,14-16H,1,9-10,12H2,2-7H3,(H2,23,24,25)/t14-,15+,16+/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H17NO4/c1-2-10-3-5-11(6-4-10)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h3-8,12-14H,2,9H2,1H3,(H,20,21)/t12-,13-,14+,17-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=CC=C3)F
InChI: InChI=1S/C18H21FN2O4/c1-12-5-2-3-8-18(12)16(23)21(17(24)20-18)10-15(22)25-11-13-6-4-7-14(19)9-13/h4,6-7,9,12H,2-3,5,8,10-11H2,1H3,(H,20,24)/t12-,18-/m1/s1
SMILES: COCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[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/C27H28Cl2N2O8/c1-37-13-22(34)31(11-14-3-4-18(28)19(29)8-14)20-10-17(27(36)30-5-6-32)23-16-7-15(12-33)9-21(38-2)25(16)39-26(23)24(20)35/h3-4,7-10,12,20,23-24,26,32,35H,5-6,11,13H2,1-2H3,(H,30,36)/t20-,23+,24+,26+/m1/s1
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC
InChI: InChI=1S/C45H85N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34(29-27-25-23-21-19-17-15-13-11-9-7-5-2)42(55)48-36(44(57)47-35(43(56)46-3)30-31-38(50)51)33-58-45-41(54)40(53)39(52)37(32-49)59-45/h34-37,39-41,45,49,52-54H,4-33H2,1-3H3,(H,46,56)(H,47,57)(H,48,55)(H,50,51)/t35-,36+,37+,39+,40-,41-,45?/m0/s1
SMILES: CCC[C@]1(CCN2[C@H](C[C@H]([C@@H]2[C@H]1NC(=O)C)/C=C\C)C(=O)O)OCC.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C19H32N2O4.C2HF3O2/c1-5-8-14-12-15(18(23)24)21-11-10-19(9-6-2,25-7-3)17(16(14)21)20-13(4)22;3-2(4,5)1(6)7/h5,8,14-17H,6-7,9-12H2,1-4H3,(H,20,22)(H,23,24);(H,6,7)/b8-5-;/t14-,15-,16-,17-,19-;/m1./s1
SMILES: CC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@@H]4C5=CC=CC=C5O[C@@]4(O3)C6=CC=CC=C6
InChI: InChI=1S/C24H17NO4/c1-15(26)25-19-13-7-6-12-18(19)23(22(25)27)21-17-11-5-8-14-20(17)28-24(21,29-23)16-9-3-2-4-10-16/h2-14,21H,1H3/t21-,23-,24+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](C(=O)N([C@H]1OC(=O)C)CC=C)OC(=O)C
InChI: InChI=1S/C13H17NO7/c1-5-6-14-12(18)10(19-7(2)15)11(20-8(3)16)13(14)21-9(4)17/h5,10-11,13H,1,6H2,2-4H3/t10-,11-,13+/m1/s1
SMILES: CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CC)[C@@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C46H88O3Si3/c1-19-38-41(47-50(15,16)43(6,7)8)33-36(34-42(38)48-51(17,18)44(9,10)11)27-28-37-26-24-32-46(14)39(29-30-40(37)46)35(5)25-23-31-45(12,13)49-52(20-2,21-3)22-4/h19,27-28,35,39-42H,20-26,29-34H2,1-18H3/b36-27?,37-28+,38-19?/t35-,39-,40?,41-,42-,46-/m1/s1
SMILES: CCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)CC)ON1C4=CC=CC=C4
InChI: InChI=1S/C22H24N2O3/c1-3-8-18-19-20(27-24(18)17-9-6-5-7-10-17)22(26)23(21(19)25)16-13-11-15(4-2)12-14-16/h5-7,9-14,18-20H,3-4,8H2,1-2H3/t18-,19+,20-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C22H35N3O5/c1-13-8-7-10-17(15(13)3)23-19(27)16(4)30-18(26)12-25-20(28)22(24-21(25)29)11-6-5-9-14(22)2/h13-17H,5-12H2,1-4H3,(H,23,27)(H,24,29)/t13-,14+,15-,16-,17-,22+/m1/s1
SMILES: CCC[C@](CCCC1=CC=CC=C1)(C#N)OP2(=O)N([C@H]([C@@H](O2)C3=CC=CC=C3)C)C
InChI: InChI=1S/C24H31N2O3P/c1-4-17-24(19-25,18-11-14-21-12-7-5-8-13-21)29-30(27)26(3)20(2)23(28-30)22-15-9-6-10-16-22/h5-10,12-13,15-16,20,23H,4,11,14,17-18H2,1-3H3/t20-,23+,24-,30?/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)COCCOCCOC
InChI: InChI=1S/C20H33N3O6/c1-5-29-20(25)18-11-16(18)12-23(13-17-10-15(2)22(3)21-17)19(24)14-28-9-8-27-7-6-26-4/h10,16,18H,5-9,11-14H2,1-4H3/t16-,18+/m1/s1
SMILES: CC1=CC(=C(C=C1OC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)OC)O)OC
InChI: InChI=1S/C25H28O12/c1-10-5-12(23-24(34-4)20(29)18-13(27)6-11(32-2)7-16(18)35-23)15(8-14(10)33-3)36-25-22(31)21(30)19(28)17(9-26)37-25/h5-8,17,19,21-22,25-28,30-31H,9H2,1-4H3/t17-,19-,21+,22-,25+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5OC)OC)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C30H27Cl2FN2O7/c1-4-34-25(37)18-10-9-17-19(22(18)26(34)38)13-29(31)27(39)35(15-7-5-14(33)6-8-15)28(40)30(29,32)24(17)23-20(36)11-16(41-2)12-21(23)42-3/h5-9,11-12,18-19,22,24,36H,4,10,13H2,1-3H3/t18-,19+,22-,24+,29+,30-/m0/s1
SMILES: CC1=NN(C=C1[C@H]2[C@H]3CCCC=C3[C@@H](C(=N)C2(C#N)C#N)C#N)C
InChI: InChI=1S/C18H18N6/c1-11-15(8-24(2)23-11)16-13-6-4-3-5-12(13)14(7-19)17(22)18(16,9-20)10-21/h5,8,13-14,16,22H,3-4,6H2,1-2H3/t13-,14-,16+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCC(=O)C3=CC=C(C=C3)F)CCCC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C39H40F2N2O5/c40-31-19-15-29(16-20-31)35(44)13-7-23-42-33(25-27-9-3-1-4-10-27)37(46)38(47)34(26-28-11-5-2-6-12-28)43(39(42)48)24-8-14-36(45)30-17-21-32(41)22-18-30/h1-6,9-12,15-22,33-34,37-38,46-47H,7-8,13-14,23-26H2/t33-,34-,37+,38+/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NC=CN4C
InChI: InChI=1S/C29H36N4O6S/c1-4-37-25(35)16-32-28(36)31-15-20-5-11-23(12-6-20)27-38-24(18-40-29-30-13-14-33(29)3)19(2)26(39-27)22-9-7-21(17-34)8-10-22/h5-14,19,24,26-27,34H,4,15-18H2,1-3H3,(H2,31,32,36)/t19-,24+,26+,27+/m1/s1
SMILES: CCN1C(=O)C2=C(N=C1SCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)SC(=C2C)C
InChI: InChI=1S/C21H29N3O2S2/c1-4-24-20(26)18-13(2)14(3)28-19(18)22-21(24)27-12-17(25)23-10-9-15-7-5-6-8-16(15)11-23/h15-16H,4-12H2,1-3H3/t15-,16+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI: InChI=1S/C10H13N5O4.C9H13N3O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t6-,7+,8+;5-,6+,8+/m00/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCCCNC(=O)C)CN5CCCCCCC5
InChI: InChI=1S/C41H55N3O5/c1-30-38(28-44-25-11-4-3-5-12-26-44)48-41(49-40(30)34-18-16-32(29-45)17-19-34)35-22-20-33(21-23-35)37-14-9-8-13-36(37)27-43-39(47)15-7-6-10-24-42-31(2)46/h8-9,13-14,16-23,30,38,40-41,45H,3-7,10-12,15,24-29H2,1-2H3,(H,42,46)(H,43,47)/t30-,38+,40+,41+/m0/s1
SMILES: CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)C3O[C@@H]([C@H]([C@@H](O3)C4=CC=C(C=C4)CO)C5=CC=CC=C5)CN6CCN(CC6)C7=NC=CC=N7
InChI: InChI=1S/C44H48N6O5/c1-31(52)38(27-32-9-4-2-5-10-32)48-44(53)47-28-33-13-19-37(20-14-33)42-54-39(29-49-23-25-50(26-24-49)43-45-21-8-22-46-43)40(35-11-6-3-7-12-35)41(55-42)36-17-15-34(30-51)16-18-36/h2-22,38-42,51H,23-30H2,1H3,(H2,47,48,53)/t38-,39-,40-,41+,42?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2CC[C@H]3C[C@@H]4C=C[C@@]3(C2)O4
InChI: InChI=1S/C19H31NO2/c1-13-4-5-16(17(21)10-13)18(2,3)20-9-7-14-11-15-6-8-19(14,12-20)22-15/h6,8,13-17,21H,4-5,7,9-12H2,1-3H3/t13-,14+,15+,16-,17-,19+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C6=CC=CC=C6)(CO5)OC(=O)C)O)OC(=O)C
InChI: InChI=1S/C31H38O10/c1-15-20(34)13-31(37)26(40-27(36)18-9-7-6-8-10-18)24-29(25(35)23(39-16(2)32)22(15)28(31,4)5)12-19(29)11-21-30(24,14-38-21)41-17(3)33/h6-10,19-21,23-26,34-35,37H,11-14H2,1-5H3/t19-,20+,21-,23-,24+,25+,26+,29-,30+,31-/m1/s1
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C
InChI: InChI=1S/C23H19ClN2O3/c1-12-7-8-15(24)11-17(12)26-22(28)18-19(23(26)29)21-16-6-4-3-5-14(16)9-10-25(21)20(18)13(2)27/h3-11,18-21H,1-2H3/t18-,19+,20-,21+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)NC5=CC=CC=C5)C)C
InChI: InChI=1S/C34H53NO2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(37-32(36)35-26-12-7-6-8-13-26)18-20-33(25,4)31(28)19-21-34(29,30)5/h6-8,12-13,23-25,27-31H,9-11,14-22H2,1-5H3,(H,35,36)/t24-,25+,27+,28+,29-,30+,31+,33+,34-/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=C6C=C(C=C7)Cl)C)C)C(=O)NC8=CC=C(C=C8)C(F)(F)F
InChI: InChI=1S/C43H52ClF3N2O/c1-24(2)28-16-19-42(37(50)48-27-11-8-25(9-12-27)43(45,46)47)21-20-40(6)31(35(28)42)13-15-34-39(5)23-30-29-22-26(44)10-14-32(29)49-36(30)38(3,4)33(39)17-18-41(34,40)7/h8-12,14,22,28,31,33-35,49H,1,13,15-21,23H2,2-7H3,(H,48,50)/t28-,31?,33?,34?,35?,39-,40+,41+,42-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3[N+]4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C19H20N5O5/c1-12(25)27-9-15-14(28-13(2)26)8-16(29-15)24-11-22-17-18(20-10-21-19(17)24)23-6-4-3-5-7-23/h3-7,10-11,14-16H,8-9H2,1-2H3/q+1/t14-,15+,16+/m0/s1
SMILES: C1=CC(=CC(=C1)F)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C14H12FNO4/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/t9-,10+,11+,12+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O[C@@]23C4=CC=CC=C4C(=O)C(=C3Br)Br)C5=CC=CC=C5
InChI: InChI=1S/C24H16Br2O2/c25-20-21(27)17-13-7-8-14-18(17)24(23(20)26)19(15-9-3-1-4-10-15)22(28-24)16-11-5-2-6-12-16/h1-14,19,22H/t19-,22-,24+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=NN=C2SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CN=CC=C4
InChI: InChI=1S/C22H27N7O3S/c1-13-7-4-5-9-15(13)29-19(14-8-6-10-24-11-14)25-26-21(29)33-12-16(30)17-18(23)27(2)22(32)28(3)20(17)31/h6,8,10-11,13,15H,4-5,7,9,12,23H2,1-3H3/t13-,15-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](N(O1)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C4=NC=CN4C
InChI: InChI=1S/C22H22ClN3O2/c1-15-19(21(27)22-24-12-13-25(22)2)20(17-8-10-18(23)11-9-17)26(28-15)14-16-6-4-3-5-7-16/h3-13,15,19-20H,14H2,1-2H3/t15-,19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@H](C2)OC(=O)C)C3CCCCC3
InChI: InChI=1S/C19H27NO4S/c1-14-8-10-17(11-9-14)25(22,23)20-12-18(16-6-4-3-5-7-16)19(13-20)24-15(2)21/h8-11,16,18-19H,3-7,12-13H2,1-2H3/t18-,19+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@@H]1O[C@@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O)OCC9=CC=CC=C9
InChI: InChI=1S/C59H54O6/c60-57-53(61-42-45-25-9-1-10-26-45)41-56(65-55(57)44-63-59(50-35-19-6-20-36-50,51-37-21-7-22-38-51)52-39-23-8-24-40-52)64-54(46-27-11-2-12-28-46)43-62-58(47-29-13-3-14-30-47,48-31-15-4-16-32-48)49-33-17-5-18-34-49/h1-40,53-57,60H,41-44H2/t53-,54-,55-,56-,57+/m0/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CCCC=C3[C@@H](C(=N)C2(C#N)C#N)C#N)OCC
InChI: InChI=1S/C24H26N4O2/c1-3-11-30-20-10-9-16(12-21(20)29-4-2)22-18-8-6-5-7-17(18)19(13-25)23(28)24(22,14-26)15-27/h7,9-10,12,18-19,22,28H,3-6,8,11H2,1-2H3/t18-,19-,22+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]([C@]2([C@@]1(C3=C(O2)C=C(C=C3OC)O[C@@H]4[C@@H](OC[C@@H](O4)[C@@H](CO)O)OC)OC(=O)C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC
InChI: InChI=1S/C38H42O15/c1-20(40)49-33-30(34(43)46-5)31(22-10-8-7-9-11-22)37(23-12-14-24(44-3)15-13-23)38(33,52-21(2)41)32-27(45-4)16-25(17-28(32)53-37)50-36-35(47-6)48-19-29(51-36)26(42)18-39/h7-17,26,29-31,33,35-36,39,42H,18-19H2,1-6H3/t26-,29-,30-,31-,33+,35-,36+,37+,38+/m1/s1
SMILES: C[C@@H]1C2=C3C4=CC=CC=C4N5C3=C6C(=C2C(=O)N1)C7=CC=CC=C7N6[C@H]8C[C@@]([C@@]5(O8)C)(C(=O)OC)O
InChI: InChI=1S/C28H23N3O5/c1-13-19-20-15-9-5-7-11-17(15)31-24(20)23-21(22(19)25(32)29-13)14-8-4-6-10-16(14)30(23)18-12-28(34,26(33)35-3)27(31,2)36-18/h4-11,13,18,34H,12H2,1-3H3,(H,29,32)/t13-,18-,27+,28+/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CC=C4[C@]3(CC[C@@H](C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
InChI: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-/m1/s1
SMILES: C[C@@H]1C/C=C/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C/C(=O)O1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C28H28O8/c1-19-10-9-15-25(29)34-20(2)18-24(36-28(32)22-13-7-4-8-14-22)23(16-17-26(30)33-19)35-27(31)21-11-5-3-6-12-21/h3-9,11-17,19-20,23-24H,10,18H2,1-2H3/b15-9+,17-16+/t19-,20-,23-,24+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8CCN(CC8)CC9=CC=CC=C9
InChI: InChI=1S/C50H48N2O7/c1-58-42-26-32(27-43(59-2)47(42)55)18-21-40-36-19-20-37-45(49(57)52(48(37)56)35-22-24-51(25-23-35)30-31-12-6-3-7-13-31)39(36)28-41-46(54)38(33-14-8-4-9-15-33)29-44(53)50(40,41)34-16-10-5-11-17-34/h3-19,21,26-27,29,35,37,39-41,45,55H,20,22-25,28,30H2,1-2H3/t37-,39+,40-,41-,45-,50-/m0/s1
SMILES: C1CN2[C@@H]([C@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)Br
InChI: InChI=1S/C24H20BrN3O2/c25-17-11-9-16(10-12-17)21-20-22(27-14-4-13-26(21)27)24(30)28(23(20)29)19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-12,20-22H,4,13-14H2/t20-,21+,22-/m0/s1
SMILES: CC1=C(S(=O)(=O)[C@@H]([C@H](C1)C2=CC(=CC=C2)C(F)(F)F)C#N)C#N
InChI: InChI=1S/C15H11F3N2O2S/c1-9-5-12(14(8-20)23(21,22)13(9)7-19)10-3-2-4-11(6-10)15(16,17)18/h2-4,6,12,14H,5H2,1H3/t12-,14-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)OC)O
InChI: InChI=1S/C18H29N3O17P2/c1-7(23)19-11-13(26)15(33-2)8(5-22)36-17(11)37-40(31,32)38-39(29,30)34-6-9-12(25)14(27)16(35-9)21-4-3-10(24)20-18(21)28/h3-4,8-9,11-17,22,25-27H,5-6H2,1-2H3,(H,19,23)(H,29,30)(H,31,32)(H,20,24,28)/t8-,9-,11-,12-,13-,14-,15+,16-,17-/m1/s1
SMILES: COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C20H28N2O3/c1-24-18-5-3-4-16(19(18)25-2)20(23)22-10-8-21(9-11-22)17-13-14-6-7-15(17)12-14/h3-5,14-15,17H,6-13H2,1-2H3/t14-,15-,17+/m0/s1
SMILES: CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3CCCCC3)NC(=O)N[C@H](CN(C)C4=C(C(=O)C4=O)C5(CC5)C)C(C)(C)C
InChI: InChI=1S/C41H62N6O7/c1-10-15-25(32(48)36(52)42-20-11-2)43-35(51)31-27-24(40(27,6)7)21-47(31)37(53)29(23-16-13-12-14-17-23)45-38(54)44-26(39(3,4)5)22-46(9)30-28(33(49)34(30)50)41(8)18-19-41/h11,23-27,29,31H,2,10,12-22H2,1,3-9H3,(H,42,52)(H,43,51)(H2,44,45,54)/t24-,25?,26+,27-,29-,31-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COS(=O)(=O)NC(=O)OCP(=O)(O)O)N=[N+]=[N-]
InChI: InChI=1S/C12H17N6O11PS/c1-6-3-18(11(20)14-10(6)19)9-2-7(15-17-13)8(29-9)4-28-31(25,26)16-12(21)27-5-30(22,23)24/h3,7-9H,2,4-5H2,1H3,(H,16,21)(H,14,19,20)(H2,22,23,24)/t7-,8+,9+/m0/s1
SMILES: C1C2=COC=C[C@@H]([C@H]2N3[C@]14C(=O)N5[C@@H]6[C@H](C=COC=C6C[C@]5(C3=O)SSSS4)OC(=O)[C@@H](C7=CC=CC=C7)O)OC(=O)[C@@H](C8=CC=CC=C8)O
InChI: InChI=1S/C34H28N2O10S4/c37-27(19-7-3-1-4-8-19)29(39)45-23-11-13-43-17-21-15-33-32(42)36-26-22(16-34(36,48-50-49-47-33)31(41)35(33)25(21)23)18-44-14-12-24(26)46-30(40)28(38)20-9-5-2-6-10-20/h1-14,17-18,23-28,37-38H,15-16H2/t23-,24-,25-,26-,27+,28+,33+,34+/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CC=CC=C4
InChI: InChI=1S/C23H31NO2/c1-16-7-6-11-23(2)14-21-18(13-20(16)23)19(22(25)26-21)15-24-12-10-17-8-4-3-5-9-17/h3-5,8-9,18-21,24H,1,6-7,10-15H2,2H3/t18-,19-,20+,21+,23-/m0/s1
SMILES: COC1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl)OCC5=CC=C(C=C5)Cl)N6C(=O)C7=CC=CC=C7C6=O
InChI: InChI=1S/C42H36Cl3NO6S/c1-26-6-20-33(21-7-26)53-42-37(46-40(47)34-4-2-3-5-35(34)41(46)48)39(51-24-29-12-18-32(45)19-13-29)38(50-23-28-10-16-31(44)17-11-28)36(52-42)25-49-22-27-8-14-30(43)15-9-27/h2-21,36-39,42H,22-25H2,1H3/t36-,37-,38+,39-,42+/m1/s1
SMILES: C=CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C11H15N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h2,4,6,8-9,11,15-17H,1,3H2,(H2,12,18)/t6-,8-,9-,11-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NCC(F)(F)F
InChI: InChI=1S/C15H17F3N2O5/c16-15(17,18)8-19-11(21)7-25-12(22)5-6-20-13(23)9-3-1-2-4-10(9)14(20)24/h1-2,9-10H,3-8H2,(H,19,21)/t9-,10+
SMILES: C[C@@H]1CC2=C(C[C@H]1[C@@H]3OC[C@@H](O3)CCl)C(CCC2)(C)C
InChI: InChI=1S/C17H27ClO2/c1-11-7-12-5-4-6-17(2,3)15(12)8-14(11)16-19-10-13(9-18)20-16/h11,13-14,16H,4-10H2,1-3H3/t11-,13+,14-,16-/m1/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN(C)[C@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C34H43N3O7/c1-5-42-30(39)19-35-34(41)36-28-17-15-27(16-18-28)33-43-29(20-37(4)23(3)31(40)25-9-7-6-8-10-25)22(2)32(44-33)26-13-11-24(21-38)12-14-26/h6-18,22-23,29,31-33,38,40H,5,19-21H2,1-4H3,(H2,35,36,41)/t22-,23-,29+,31-,32+,33+/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CC(=O)OCC2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O)O
InChI: InChI=1S/C25H36N2O8Si/c1-16-12-27(23-21(30)20(29)18(35-23)15-34-36(5,6)25(2,3)4)24(32)26(22(16)31)13-19(28)33-14-17-10-8-7-9-11-17/h7-12,18,20-21,23,29-30H,13-15H2,1-6H3/t18-,20-,21-,23-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=N[C@H](CN3C(=O)O2)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)C
InChI: InChI=1S/C34H57N3O9/c1-13-24-34(9)28-20(5)25(35-18(3)16-37(28)32(41)46-34)17(2)15-33(8,42-12)29(21(6)26(38)22(7)30(40)44-24)45-31-27(39)23(36(10)11)14-19(4)43-31/h17-24,27-29,31,39H,13-16H2,1-12H3/t17-,18+,19-,20+,21+,22-,23+,24-,27-,28-,29-,31+,33+,34-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC=C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C50H56O10/c1-3-29-53-49-48(46(56-33-40-25-15-7-16-26-40)44(36(2)58-49)54-31-38-21-11-5-12-22-38)60-50-47(57-34-41-27-17-8-18-28-41)45(55-32-39-23-13-6-14-24-39)43(51)42(59-50)35-52-30-37-19-9-4-10-20-37/h3-28,36,42-51H,1,29-35H2,2H3/t36-,42+,43+,44-,45-,46+,47+,48+,49+,50+/m0/s1
SMILES: CO[C@@H]1[C@@H](N(C1=O)CCC=C)[C@@H]2CC(=O)CCN2CC=C
InChI: InChI=1S/C16H24N2O3/c1-4-6-9-18-14(15(21-3)16(18)20)13-11-12(19)7-10-17(13)8-5-2/h4-5,13-15H,1-2,6-11H2,3H3/t13-,14-,15+/m0/s1
SMILES: CN(C[C@@H]1[C@H]([C@@H](OC(O1)C2=CC=C(C=C2)CN)C3=CC=C(C=C3)CO)C4=CC=CC=C4)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C34H38N2O5/c1-36(20-30(39)28-8-5-9-29(38)18-28)21-31-32(25-6-3-2-4-7-25)33(26-14-12-24(22-37)13-15-26)41-34(40-31)27-16-10-23(19-35)11-17-27/h2-18,30-34,37-39H,19-22,35H2,1H3/t30-,31-,32-,33+,34?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H21Cl3O10/c1-7(20)24-5-11-12(26-8(2)21)13(27-9(3)22)14(28-10(4)23)15(29-11)25-6-16(17,18)19/h11-15H,5-6H2,1-4H3/t11-,12-,13+,14+,15+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]([C@H]1[C@@H]2C=C([C@H]([C@@H]1OCOC)O2)Cl)C3=CC=CO3
InChI: InChI=1S/C19H29ClO5Si/c1-19(2,3)26(5,6)25-17(13-8-7-9-22-13)15-14-10-12(20)16(24-14)18(15)23-11-21-4/h7-10,14-18H,11H2,1-6H3/t14-,15+,16+,17+,18+/m0/s1
SMILES: C[N+](C)(CCO)C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=NC4=CC=CC=C4S3)SC1)C(=O)O
InChI: InChI=1S/C23H26N4O5S3/c1-27(2,10-11-28)9-5-6-14-12-33-21-18(20(30)26(21)19(14)22(31)32)25-17(29)13-34-23-24-15-7-3-4-8-16(15)35-23/h3-8,18,21,28H,9-13H2,1-2H3,(H-,25,29,31,32)/p+1/b6-5+/t18-,21-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@H](CN1C)C)OC(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C16H23NO3/c1-11-10-17(3)12(2)9-15(11)20-16(18)13-5-7-14(19-4)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3/t11-,12-,15-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@]4([C@@]3(CC=CC4)C)O)C
InChI: InChI=1S/C27H42O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h6-7,17-19,21-23,29H,8-16H2,1-5H3/t19-,21-,22+,23+,25-,26-,27+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C41H42F3N3O6S/c1-25-36(24-54-34-17-15-33(16-18-34)46-26(2)49)52-39(53-37(25)29-13-11-27(23-48)12-14-29)32-9-4-8-31(21-32)30-7-3-6-28(20-30)22-45-38(50)35-10-5-19-47(35)40(51)41(42,43)44/h3-4,6-9,11-18,20-21,25,35-37,39,48H,5,10,19,22-24H2,1-2H3,(H,45,50)(H,46,49)/t25-,35-,36+,37+,39+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)O
InChI: InChI=1S/C26H15Cl2F5N2O6/c27-25-7-12-10(5-6-11-13(12)22(38)35(41)21(11)37)14(8-1-3-9(36)4-2-8)26(25,28)24(40)34(23(25)39)20-18(32)16(30)15(29)17(31)19(20)33/h1-5,11-14,36,41H,6-7H2/t11-,12+,13-,14-,25+,26-/m0/s1