EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)N3[C@H]4CS(=O)(=O)C[C@H]4CC3=O
InChI: InChI=1S/C23H26N2O6S/c1-3-30-20-12-18(25-19-14-32(28,29)13-16(19)10-22(25)26)21(31-4-2)11-17(20)24-23(27)15-8-6-5-7-9-15/h5-9,11-12,16,19H,3-4,10,13-14H2,1-2H3,(H,24,27)/t16-,19+/m1/s1
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)OC)\C)O[C@]6(C4)C[C@@H]([C@@H]([C@H](O6)C(C)C)C)O)O
InChI: InChI=1S/C40H60O12/c1-20(2)35-24(6)30(41)18-39(52-35)17-28-15-27(51-39)13-12-22(4)36(50-32-16-31(46-8)34(43)25(7)48-32)21(3)10-9-11-26-19-47-37-33(42)23(5)14-29(38(44)49-28)40(26,37)45/h9-12,14,20-21,24-25,27-37,41-43,45H,13,15-19H2,1-8H3/b10-9+,22-12+,26-11+/t21-,24-,25-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37+,39-,40+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](CC2=CC3=C(C=C2)OCO3)N)[C@@H](CC4=CC5=C(C=C4)OCO5)N)C
InChI: InChI=1S/C23H28N2O6/c1-23(2)30-21(15(24)7-13-3-5-17-19(9-13)28-11-26-17)22(31-23)16(25)8-14-4-6-18-20(10-14)29-12-27-18/h3-6,9-10,15-16,21-22H,7-8,11-12,24-25H2,1-2H3/t15-,16-,21+,22+/m1/s1
SMILES: CC(=O)N[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C12H19NO7/c1-6(14)13-9-5-18-12(17-4)11(20-8(3)16)10(9)19-7(2)15/h9-12H,5H2,1-4H3,(H,13,14)/t9-,10+,11-,12+/m1/s1
SMILES: COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C21H17NO4/c1-26-15(23)10-22-20(24)18-16-11-6-2-3-7-12(11)17(19(18)21(22)25)14-9-5-4-8-13(14)16/h2-9,16-19H,10H2,1H3/t16?,17?,18-,19-/m1/s1
SMILES: CC1([C@H]2CC=C([C@@H]1C2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O)O)C
InChI: InChI=1S/C21H34O10/c1-21(2)10-4-3-9(11(21)5-10)6-28-20-18(27)16(25)15(24)13(31-20)8-30-19-17(26)14(23)12(22)7-29-19/h3,10-20,22-27H,4-8H2,1-2H3/t10-,11-,12-,13+,14-,15+,16-,17+,18+,19-,20-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1CC=C)C(=O)NC4CCCCC4
InChI: InChI=1S/C23H33N3O4/c1-5-13-26-18(20(28)25-22(2,3)4)23-12-11-15(30-23)16(17(23)21(26)29)19(27)24-14-9-7-6-8-10-14/h5,11-12,14-18H,1,6-10,13H2,2-4H3,(H,24,27)(H,25,28)/t15-,16+,17-,18-,23+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O)C
InChI: InChI=1S/C24H32O5Si/c1-23(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-16-19-20(25)21-22(27-19)29-24(4,5)28-21/h6-15,19-22,25H,16H2,1-5H3/t19-,20-,21+,22+/m0/s1
SMILES: C[C@]12C[C@H]3[C@H]4[C@H](C1=CCC2=O)CC[C@@]5([C@@]4(CCC6(C5)OCC(CO6)(C)C)CC7=C3C=CC(=C7)OC)O
InChI: InChI=1S/C31H40O5/c1-27(2)17-35-31(36-18-27)12-11-29-14-19-13-20(34-4)5-6-21(19)23-15-28(3)24(7-8-25(28)32)22(26(23)29)9-10-30(29,33)16-31/h5-7,13,22-23,26,33H,8-12,14-18H2,1-4H3/t22-,23+,26+,28-,29-,30+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](CC3=C4N1C5=C(C4=CC(=N3)C(=O)O)C=C(C=C5)O)C(=CO[C@@H]2O)C(=O)OC
InChI: InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1
SMILES: C1COC[C@@H]2N1C3=CC=CC=C3C[C@@]24C(=O)NC(=O)N(C4=O)C5=CC=CC=C5
InChI: InChI=1S/C21H19N3O4/c25-18-21(19(26)24(20(27)22-18)15-7-2-1-3-8-15)12-14-6-4-5-9-16(14)23-10-11-28-13-17(21)23/h1-9,17H,10-13H2,(H,22,25,27)/t17-,21-/m0/s1
SMILES: CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C17H26N4O2S/c1-10-4-6-17(7-5-10)14(22)21(16(23)19-17)20-15(24)18-13-9-11-2-3-12(13)8-11/h10-13H,2-9H2,1H3,(H,19,23)(H2,18,20,24)/t10?,11-,12-,13-,17?/m0/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)C(C)(C)OC(=O)C)C)O
InChI: InChI=1S/C24H35NO6/c1-15(26)24(5)14-25(22(28)23(3,4)31-16(2)27)12-19(24)18-9-10-20(29-6)21(11-18)30-13-17-7-8-17/h9-11,15,17,19,26H,7-8,12-14H2,1-6H3/t15-,19+,24+/m1/s1
SMILES: CCNC1=CC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CN4C2=C1N=N4)O)O
InChI: InChI=1S/C12H15N5O4/c1-2-13-5-3-7(18)17-11-8(5)14-15-16(11)4-6-9(19)10(20)12(17)21-6/h3,6,9-10,12-13,19-20H,2,4H2,1H3/t6-,9-,10-,12-/m1/s1
SMILES: C[C@@]12CC[C@]3(C1(C)C)CS(=O)(=O)N(C3C2)C(=O)[C@@H]4CCC(C5[C@H]4N(C6=CC=CC=C56)C)C7=CC=CC=C7
InChI: InChI=1S/C31H38N2O3S/c1-29(2)30(3)16-17-31(29)19-37(35,36)33(25(31)18-30)28(34)23-15-14-21(20-10-6-5-7-11-20)26-22-12-8-9-13-24(22)32(4)27(23)26/h5-13,21,23,25-27H,14-19H2,1-4H3/t21?,23-,25?,26?,27+,30+,31+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC5=CC=CC=C5N4[C@H]([C@H]3C2=O)C(=O)NC6=CC=C(C=C6)Cl
InChI: InChI=1S/C28H22ClN3O3/c1-16-6-13-20(14-7-16)31-27(34)23-22-15-8-17-4-2-3-5-21(17)32(22)25(24(23)28(31)35)26(33)30-19-11-9-18(29)10-12-19/h2-15,22-25H,1H3,(H,30,33)/t22-,23-,24-,25+/m0/s1
SMILES: B(CC=C)([C@@H]1CC2CC([C@H]1C)C2(C)C)[C@@H]3CC4CC([C@H]3C)C4(C)C
InChI: InChI=1S/C23H39B/c1-8-9-24(20-12-16-10-18(14(20)2)22(16,4)5)21-13-17-11-19(15(21)3)23(17,6)7/h8,14-21H,1,9-13H2,2-7H3/t14-,15-,16?,17?,18?,19?,20-,21-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCN(CC3=C(N2C1=O)C(=O)OCC=C)/C(=N/C(=O)OCC=C)/NC(=O)OCC=C)O
InChI: InChI=1S/C24H30N4O8/c1-5-10-34-21(31)19-16-13-27(9-8-15(16)18-17(14(4)29)20(30)28(18)19)22(25-23(32)35-11-6-2)26-24(33)36-12-7-3/h5-7,14-15,17-18,29H,1-3,8-13H2,4H3,(H,25,26,32,33)/t14-,15+,17-,18-/m1/s1
SMILES: CC(C)[C@@]12CC[C@H]3C(=C[C@@H]4C5[C@@]3(CCC[C@@]5(C(=O)O4)C)C)[C@@H]1O2
InChI: InChI=1S/C20H28O3/c1-11(2)20-9-6-13-12(16(20)23-20)10-14-15-18(13,3)7-5-8-19(15,4)17(21)22-14/h10-11,13-16H,5-9H2,1-4H3/t13-,14+,15?,16-,18+,19-,20-/m0/s1
SMILES: CCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@H]2CN3CCN(CC3)C
InChI: InChI=1S/C25H41N3O3/c1-3-4-5-10-19-30-24-14-9-7-12-22(24)26-25(29)31-23-13-8-6-11-21(23)20-28-17-15-27(2)16-18-28/h7,9,12,14,21,23H,3-6,8,10-11,13,15-20H2,1-2H3,(H,26,29)/t21-,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)CCC(=O)O)CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C32H39N3O6/c1-22-28(20-35(2)18-16-27-5-3-4-17-33-27)40-32(41-31(22)25-10-8-24(21-36)9-11-25)26-12-6-23(7-13-26)19-34-29(37)14-15-30(38)39/h3-13,17,22,28,31-32,36H,14-16,18-21H2,1-2H3,(H,34,37)(H,38,39)/t22-,28+,31+,32+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCCC(=O)NCCCN)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H34N2O11/c1-12(24)30-11-16-18(31-13(2)25)19(32-14(3)26)20(33-15(4)27)21(34-16)29-10-5-7-17(28)23-9-6-8-22/h16,18-21H,5-11,22H2,1-4H3,(H,23,28)/t16-,18-,19+,20+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H]([C@@H]3CCCN3C2=O)CO
InChI: InChI=1S/C15H19NO4S/c1-10-4-6-11(7-5-10)21(19,20)14-12(9-17)13-3-2-8-16(13)15(14)18/h4-7,12-14,17H,2-3,8-9H2,1H3/t12-,13-,14+/m0/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CC=C4F)O
InChI: InChI=1S/C23H26FNO3/c1-28-20-12-5-3-9-17(20)21-18-10-6-7-13-23(18,27)14-15-25(21)22(26)16-8-2-4-11-19(16)24/h2-5,8-9,11-12,18,21,27H,6-7,10,13-15H2,1H3/t18-,21-,23+/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC[C@H](CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O)C(C)C
InChI: InChI=1S/C24H39ClN2O2/c1-17(2)22-8-5-18(3)13-24(22)29-16-21(28)15-26-9-11-27(12-10-26)23-14-20(25)7-6-19(23)4/h6-7,14,17-18,21-22,24,28H,5,8-13,15-16H2,1-4H3/t18-,21+,22-,24-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C(C)(C)C
InChI: InChI=1S/C21H29N3O3/c1-14-9-7-8-12-21(14)18(26)24(19(27)23-21)13-17(25)22-16-11-6-5-10-15(16)20(2,3)4/h5-6,10-11,14H,7-9,12-13H2,1-4H3,(H,22,25)(H,23,27)/t14-,21-/m0/s1
SMILES: CC1=CN=NN1[C@H]2[C@@H]([C@](CO2)(COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C29H31N3O4/c1-23-17-30-31-32(23)28-27(34-19-25-13-7-3-8-14-25)29(22-35-28,36-20-26-15-9-4-10-16-26)21-33-18-24-11-5-2-6-12-24/h2-17,27-28H,18-22H2,1H3/t27-,28+,29+/m0/s1
SMILES: CC(=O)C([C@H]1[C@@H]2CC[C@H]1[C@@H](C2)O[N+](=O)[O-])C(=O)C
InChI: InChI=1S/C12H17NO5/c1-6(14)11(7(2)15)12-8-3-4-9(12)10(5-8)18-13(16)17/h8-12H,3-5H2,1-2H3/t8-,9+,10-,12+/m1/s1
SMILES: CCCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCOCC([C@@H]1[C@H]([C@@H](CO1)OCCO)OCCOCCO)OCCOCCO
InChI: InChI=1S/C39H74O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37(43)50-31-28-46-25-26-47-33-35(49-30-27-44-22-19-40)39-38(51-32-29-45-23-20-41)36(34-52-39)48-24-21-42/h10-11,35-36,38-42H,2-9,12-34H2,1H3/b11-10-/t35?,36-,38+,39-/m1/s1
SMILES: CC(=O)C1C(=O)O[C@@]12CCCC[C@H]2O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H28O4Si/c1-11(17)13-14(18)19-16(13)10-8-7-9-12(16)20-21(5,6)15(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13?,16-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(/C=C\3/[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C16H24N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,5-7,10-15,19,21-25H,3-4H2,(H,27,28)(H,29,30)(H,17,20,26)/b8-5-/t6-,7-,10-,11-,12-,13+,14-,15-/m1/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])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/C23H19N3O5/c1-12-7-8-15(26(30)31)11-17(12)25-22(28)18-19(23(25)29)21-16-6-4-3-5-14(16)9-10-24(21)20(18)13(2)27/h3-11,18-21H,1-2H3/t18-,19+,20-,21-/m1/s1
SMILES: CC1(C[C@@H]([C@H](CO1)CN2CCCCC2)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C20H29NO3/c1-20(2)13-18(24-19(22)16-9-5-3-6-10-16)17(15-23-20)14-21-11-7-4-8-12-21/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t17-,18-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CCC6[C@]7(C5(CC4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)O)O)C)O)O)O)(C)O
InChI: InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15?,16-,17-,18-,19-,20-,21-,22+,23?,24?,25?,26?,27-/m0/s1
SMILES: CCC(=O)N(CC12CC3CC(C1)CC(C3)C2)[C@@H]4CC(=C[C@@H]([C@H]4O)OC5=CC=CC=C5I)C(=O)NCCO
InChI: InChI=1S/C29H39IN2O5/c1-2-26(34)32(17-29-14-18-9-19(15-29)11-20(10-18)16-29)23-12-21(28(36)31-7-8-33)13-25(27(23)35)37-24-6-4-3-5-22(24)30/h3-6,13,18-20,23,25,27,33,35H,2,7-12,14-17H2,1H3,(H,31,36)/t18?,19?,20?,23-,25+,27+,29?/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C20H25ClN4O2S/c1-27-17-7-6-15(21)10-16(17)19-22-20(24-23-19)28-12-18(26)25-9-8-13-4-2-3-5-14(13)11-25/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,22,23,24)/t13-,14+/m1/s1
SMILES: C[C@@H]1C[C@]([C@@H](C[NH+]1C)C)(C#C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H21NO2/c1-5-17(11-14(3)18(4)12-13(17)2)20-16(19)15-9-7-6-8-10-15/h1,6-10,13-14H,11-12H2,2-4H3/p+1/t13-,14-,17+/m1/s1
SMILES: CC(=O)N1[C@@H]([C@H]2CCC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CC=CC=C4
InChI: InChI=1S/C22H22N2O/c1-16(25)24-22(18-11-6-3-7-12-18)20-14-8-13-19(21(20)23-24)15-17-9-4-2-5-10-17/h2-7,9-12,15,20,22H,8,13-14H2,1H3/b19-15+/t20-,22+/m0/s1
SMILES: CC(=O)C[C@H]1[C@@H]2[C@H](CC(=O)N2CC3=CC4=C(C=C13)OCO4)OC(=O)C
InChI: InChI=1S/C18H19NO6/c1-9(20)3-13-12-5-15-14(23-8-24-15)4-11(12)7-19-17(22)6-16(18(13)19)25-10(2)21/h4-5,13,16,18H,3,6-8H2,1-2H3/t13-,16+,18-/m1/s1
SMILES: C1[C@H]([C@H]([C@H](N1)CCNC2=CC=C(C=C2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C18H22N2O2/c21-17-12-20-16(18(17)22)10-11-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-22H,10-12H2/t16-,17-,18+/m1/s1
SMILES: CC1=C2[C@@H]([C@]34CC(=O)[C@](C3)(CC[C@@H]4C2=CC=C1)C)C(=O)O
InChI: InChI=1S/C18H20O3/c1-10-4-3-5-11-12-6-7-17(2)9-18(12,8-13(17)19)15(14(10)11)16(20)21/h3-5,12,15H,6-9H2,1-2H3,(H,20,21)/t12-,15-,17+,18-/m1/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CCC(C(O6)C)O)N)O
InChI: InChI=1S/C32H39NO12/c1-4-32(41)11-18(44-20-10-15(33)30(13(3)43-20)45-19-9-8-16(34)12(2)42-19)22-25(31(32)40)29(39)23-24(28(22)38)27(37)21-14(26(23)36)6-5-7-17(21)35/h5-7,12-13,15-16,18-20,30-31,34-35,38-41H,4,8-11,33H2,1-3H3/t12?,13?,15?,16?,18-,19?,20?,30?,31+,32+/m0/s1
SMILES: C[C@H]1C[C@@]([C@@H](CN1C)C)(CCNCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C26H38N2O3/c1-19-18-28(3)20(2)16-26(19,22-8-10-23(29-4)11-9-22)13-14-27-17-21-7-12-24(30-5)25(15-21)31-6/h7-12,15,19-20,27H,13-14,16-18H2,1-6H3/t19-,20+,26-/m1/s1
SMILES: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)C[C@@H]4NC(=O)[C@H](CCS(=O)(=O)C)N(C)C
InChI: InChI=1S/C28H46N4O5S2/c1-21-9-7-8-10-23(21)31-14-16-32(17-15-31)39(36,37)20-28-13-11-22(27(28,2)3)19-25(28)29-26(33)24(30(4)5)12-18-38(6,34)35/h7-10,22,24-25H,11-20H2,1-6H3,(H,29,33)/t22-,24+,25+,28-/m1/s1
SMILES: C1=CC=C(C(=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4C=CC3[C@@H]5[C@@H]4C(=O)N(C5=O)C6=CC=CC=C6F)F
InChI: InChI=1S/C24H16F2N2O4/c25-13-5-1-3-7-15(13)27-21(29)17-11-9-10-12(18(17)22(27)30)20-19(11)23(31)28(24(20)32)16-8-4-2-6-14(16)26/h1-12,17-20H/t11?,12?,17-,18-,19+,20+
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(=C4)CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN6CCCCC6
InChI: InChI=1S/C42H49N3O6/c1-29-38(27-45-22-7-4-8-23-45)50-41(51-39(29)34-16-14-31(28-46)15-17-34)35-20-18-33(19-21-35)36-13-9-12-32(24-36)26-43-42(48)44-37(40(47)49-2)25-30-10-5-3-6-11-30/h3,5-6,9-21,24,29,37-39,41,46H,4,7-8,22-23,25-28H2,1-2H3,(H2,43,44,48)/t29-,37-,38+,39+,41+/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H]2[C@H]([C@H]3N1N=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H20ClN3O3/c1-20(2,3)17(25)16-15-14(13-5-4-10-22-24(13)16)18(26)23(19(15)27)12-8-6-11(21)7-9-12/h4-10,13-16H,1-3H3/t13-,14-,15-,16+/m0/s1
SMILES: C1C2=C(C(=O)ON1C(=O)C3=CC=C(C=C3)C(F)(F)F)N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CC=C5)SC2
InChI: InChI=1S/C24H18F3N3O5S/c25-24(26,27)16-8-6-14(7-9-16)20(32)29-11-15-12-36-22-18(21(33)30(22)19(15)23(34)35-29)28-17(31)10-13-4-2-1-3-5-13/h1-9,18,22H,10-12H2,(H,28,31)/t18-,22-/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C#C
InChI: InChI=1S/C17H17NO2/c1-3-12-5-4-6-13(10-12)18-16(19)14-8-7-11(2)9-15(14)17(18)20/h1,4-6,10-11,14-15H,7-9H2,2H3/t11-,14+,15+/m0/s1
SMILES: CCCCP(=N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(CCCC)CCCC
InChI: InChI=1S/C26H46NO9P/c1-8-11-14-37(15-12-9-2,16-13-10-3)27-26-25(35-21(7)31)24(34-20(6)30)23(33-19(5)29)22(36-26)17-32-18(4)28/h22-26H,8-17H2,1-7H3/t22-,23+,24+,25-,26-/m1/s1
SMILES: CC(=O)COC(=O)[C@H]1[C@@H]2[C@]3([C@H](C=C[C@]2([C@H]4[C@@]15CC(=C)[C@@](C5)(CC4)OC(=O)C)OC3=O)OC(=O)C)C
InChI: InChI=1S/C26H30O9/c1-13-10-24-12-25(13,34-16(4)29)8-6-17(24)26-9-7-18(33-15(3)28)23(5,22(31)35-26)20(26)19(24)21(30)32-11-14(2)27/h7,9,17-20H,1,6,8,10-12H2,2-5H3/t17-,18+,19-,20-,23-,24+,25+,26-/m1/s1
SMILES: CCNC(=O)O/N=C/C1=CC=C(C=C1)[C@H]2C[C@@]3([C@H](CCC3C4C2=C5CCC(=O)C=C5CC4)OC)C
InChI: InChI=1S/C29H36N2O4/c1-4-30-28(33)35-31-17-18-5-7-19(8-6-18)24-16-29(2)25(13-14-26(29)34-3)23-11-9-20-15-21(32)10-12-22(20)27(23)24/h5-8,15,17,23-26H,4,9-14,16H2,1-3H3,(H,30,33)/b31-17+/t23?,24-,25?,26+,29+/m1/s1
SMILES: CCS[C@@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@]5(O1)CCCCCN5C2=O
InChI: InChI=1S/C20H22N2O4S/c1-2-27-20-15-14(16(23)22(17(15)24)13-9-5-3-6-10-13)19(26-20)11-7-4-8-12-21(19)18(20)25/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3/t14-,15+,19+,20+/m0/s1
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NO[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H13FN2O4/c23-15-7-9-16(10-8-15)25-21(27)17-18(24-29-20(17)22(25)28)19(26)14-6-5-12-3-1-2-4-13(12)11-14/h1-11,17,20H/t17-,20+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C41H39ClFN3O7/c1-2-7-23-8-6-9-30(36(23)49)35-28-19-20-29-34(39(52)45(37(29)50)21-5-3-4-10-33(47)48)31(28)22-32-38(51)46(44-27-17-15-26(43)16-18-27)40(53)41(32,35)24-11-13-25(42)14-12-24/h2,6,8-9,11-19,29,31-32,34-35,44,49H,1,3-5,7,10,20-22H2,(H,47,48)/t29-,31+,32-,34-,35+,41+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)C4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=CC=C6
InChI: InChI=1S/C21H19N5O5/c27-21(12-4-2-1-3-5-12)22-14-9-28-19-15(10-29-18(14)19)26-20(23-24-25-26)13-6-7-16-17(8-13)31-11-30-16/h1-8,14-15,18-19H,9-11H2,(H,22,27)/t14-,15-,18+,19+/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)O)NC(=O)C(CC(COC(=O)N)O)N)O)O)CO
InChI: InChI=1S/C17H25N5O12/c18-7(1-6(24)4-33-16(19)31)13(28)20-8(15(29)30)11-9(25)10(26)14(34-11)22-2-5(3-23)12(27)21-17(22)32/h2,6-11,14,23-26H,1,3-4,18H2,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t6?,7?,8?,9-,10+,11+,14+/m0/s1
SMILES: C1CC2=CC=CC=C2[C@H]3[C@H]1NCCC4=CC(=C5C(=C34)SC(=O)N5)Cl
InChI: InChI=1S/C19H17ClN2OS/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(23)24-18/h1-4,9,14,16,21H,5-8H2,(H,22,23)/t14-,16-/m0/s1
SMILES: C[C@H]1C=C(C[C@@H]([C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C21H34O4SSi/c1-15-13-18(26(23,24)17-11-9-8-10-12-17)14-19(22)16(2)20(15)25-27(6,7)21(3,4)5/h8-13,15-16,19-20,22H,14H2,1-7H3/t15-,16-,19-,20+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)F)N)O)O
InChI: InChI=1S/C20H24FN7O4/c1-2-23-18(31)15-13(29)14(30)19(32-15)28-9-25-12-16(22)26-20(27-17(12)28)24-8-7-10-3-5-11(21)6-4-10/h3-6,9,13-15,19,29-30H,2,7-8H2,1H3,(H,23,31)(H3,22,24,26,27)/t13-,14+,15-,19+/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC=C2/C=C\C3=C[C@H](C[C@@H](C3)O)O)C
InChI: InChI=1S/C26H42O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h8-10,15,18,21-24,27-29H,5-7,11-14,16-17H2,1-4H3/b10-9-/t18-,21-,22-,23-,24+,26-/m1/s1
SMILES: CCCCC/C=C/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)COC(=O)C)O)C
InChI: InChI=1S/C30H42O7/c1-7-8-9-10-11-12-24(32)37-29-15-19(3)30(35)22(25(29)27(29,5)6)14-21(17-36-20(4)31)16-28(34)23(30)13-18(2)26(28)33/h11-14,19,22-23,25,34-35H,7-10,15-17H2,1-6H3/b12-11+/t19-,22+,23-,25-,28-,29+,30-/m1/s1
SMILES: C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4
InChI: InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O
InChI: InChI=1S/C19H23N3O4/c1-11-6-5-9-15(12(11)2)20-16(23)10-22-18(24)14-8-4-3-7-13(14)17(21-22)19(25)26/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,20,23)(H,25,26)/t11-,12+,15-/m0/s1
SMILES: CC1=CC(=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC)C
InChI: InChI=1S/C15H18N2O3/c1-8-5-6-11(9(2)7-8)13-12(14(18)20-4)10(3)16-15(19)17-13/h5-7,12-13H,3H2,1-2,4H3,(H2,16,17,19)/t12-,13+/m0/s1
SMILES: CC(=O)C(=C1C=CC2=N[C@@]34CCCC[C@@H]3[C@@H](C=C(N4C2=C1)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C
InChI: InChI=1S/C32H30N2O2/c1-21(35)31(22(2)36)25-16-17-28-30(19-25)34-29(24-13-7-4-8-14-24)20-26(23-11-5-3-6-12-23)27-15-9-10-18-32(27,34)33-28/h3-8,11-14,16-17,19-20,26-27H,9-10,15,18H2,1-2H3/t26-,27+,32+/m0/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)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C42H34ClFN4O9/c1-56-34-19-22(20-35(57-2)37(34)49)3-18-32-29-16-17-30-36(40(52)46(38(30)50)27-12-14-28(15-13-27)48(54)55)31(29)21-33-39(51)47(45-26-10-8-25(44)9-11-26)41(53)42(32,33)23-4-6-24(43)7-5-23/h3-16,18-20,30-33,36,45,49H,17,21H2,1-2H3/t30-,31+,32-,33-,36-,42-/m0/s1
SMILES: C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)/C
InChI: InChI=1S/C40H57NO16S/c1-19-11-10-12-27-29(55-27)14-28(56-33(47)15-31(46)40(8,9)38(49)21(3)34(19)48)20(2)13-26-18-58-32(41-26)17-51-39-37(54-25(7)45)36(53-24(6)44)35(52-23(5)43)30(57-39)16-50-22(4)42/h13,18-19,21,27-31,34-37,39,46,48H,10-12,14-17H2,1-9H3/b20-13+/t19-,21+,27+,28-,29-,30+,31-,34-,35+,36-,37+,39-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C2[C@H]([C@]4(O3)C(=O)C=CC5=CC=CC=C45)C6=CC=C(C=C6)F
InChI: InChI=1S/C27H17FO2/c28-20-13-9-19(10-14-20)26-25-21-7-3-1-5-17(21)11-15-23(25)30-27(26)22-8-4-2-6-18(22)12-16-24(27)29/h1-16,26H/t26-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CS3)/N=C2S[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H30N2O10S2/c1-15-8-10-20(11-9-15)31-27(36)22(13-21-7-6-12-42-21)30-29(31)43-28-26(40-19(5)35)25(39-18(4)34)24(38-17(3)33)23(41-28)14-37-16(2)32/h6-13,23-26,28H,14H2,1-5H3/b22-13-/t23-,24+,25+,26-,28-/m0/s1
SMILES: C[C@@H](COC1=CC=C(C=C1)OC)[C@H]2CCC[C@]23CCC[C@H]4N3CC(=CC4)C(CO)O
InChI: InChI=1S/C25H37NO4/c1-18(17-30-22-11-9-21(29-2)10-12-22)23-6-4-14-25(23)13-3-5-20-8-7-19(15-26(20)25)24(28)16-27/h7,9-12,18,20,23-24,27-28H,3-6,8,13-17H2,1-2H3/t18-,20+,23+,24?,25+/m0/s1
SMILES: CC(=O)O[C@H]1CC2CCC3C([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5(C3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C
InChI: InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26?,27?,28?,29?,30-,31-,32-,33-,34-,35-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCC2=CC=CC=C2)O[C@@H]3C[C@@H]4CO[C@H](O[C@H]4[C@@H]([C@H]3N=[N+]=[N-])OCC5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C44H50N4O9/c1-29(49)46-38-42(53-26-32-19-11-5-12-20-32)40(36(56-44(38)50-2)28-51-24-30-15-7-3-8-16-30)55-35-23-34-27-54-43(33-21-13-6-14-22-33)57-39(34)41(37(35)47-48-45)52-25-31-17-9-4-10-18-31/h3-22,34-44H,23-28H2,1-2H3,(H,46,49)/t34-,35-,36-,37+,38-,39-,40-,41-,42-,43-,44-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(C[C@@H]3C2=O)Cl
InChI: InChI=1S/C18H19ClN2O3/c1-10-3-6-13(7-4-10)20-16(22)11(2)21-17(23)14-8-5-12(19)9-15(14)18(21)24/h3-7,11,14-15H,8-9H2,1-2H3,(H,20,22)/t11-,14-,15-/m0/s1
SMILES: CCCNC(=O)C1=CC=CC(=C1)C(=O)C[C@@H]2[C@H](C(=O)N2C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC=C)[C@@H](C)O
InChI: InChI=1S/C40H41N2O6P/c1-4-24-41-37(45)30-17-15-16-29(26-30)35(44)27-34-36(28(3)43)38(46)42(34)39(40(47)48-25-5-2)49(31-18-9-6-10-19-31,32-20-11-7-12-21-32)33-22-13-8-14-23-33/h5-23,26,28,34,36,43H,2,4,24-25,27H2,1,3H3,(H,41,45)/t28-,34-,36-/m1/s1
SMILES: C1[C@H](C=C2[C@@H](C1=O)[C@@H](N3C(=NC=N3)N2)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI: InChI=1S/C21H17FN4O/c22-16-8-6-13(7-9-16)15-10-17-19(18(27)11-15)20(14-4-2-1-3-5-14)26-21(25-17)23-12-24-26/h1-10,12,15,19-20H,11H2,(H,23,24,25)/t15-,19-,20-/m0/s1
SMILES: C([C@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3+,4-,5+,6?/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H16ClN3O5/c20-12-5-3-4-11(8-12)17-21-15(28-22-17)10-27-16(24)9-23-18(25)13-6-1-2-7-14(13)19(23)26/h1-5,8,13-14H,6-7,9-10H2/t13-,14-/m1/s1
SMILES: CCOC(=O)OC(=O)[C@@H]1C[C@H]1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C22H21NO6S/c1-3-28-22(25)29-21(24)18-12-17(18)19-13-23(20-7-5-4-6-16(19)20)30(26,27)15-10-8-14(2)9-11-15/h4-11,13,17-18H,3,12H2,1-2H3/t17-,18-/m1/s1
SMILES: CCCCC/C=C/[C@H]1C[C@H]([C@@H]2[C@H]1C(=O)OC2=O)C=C
InChI: InChI=1S/C16H22O3/c1-3-5-6-7-8-9-12-10-11(4-2)13-14(12)16(18)19-15(13)17/h4,8-9,11-14H,2-3,5-7,10H2,1H3/b9-8+/t11-,12+,13-,14+/m1/s1
SMILES: CC(=O)OC1C[C@H]2[C@@H]3C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)CSC(=O)C)C)C)Cl
InChI: InChI=1S/C26H31ClO5S/c1-12(28)32-23-10-17-14-8-20(27)19-9-21(30)15-7-18(15)26(19,4)16(14)5-6-25(17,3)24(23)22(31)11-33-13(2)29/h8-9,14-18,23-24H,5-7,10-11H2,1-4H3/t14-,15-,16+,17+,18+,23?,24+,25+,26+/m1/s1
SMILES: CC[C@H]1[C@@]([C@@]2([C@@H]([C@@H](O[C@@H]2O1)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)(C)O
InChI: InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10+/t16-,18-,20+,21+,22+,23+/m0/s1
SMILES: COC(=O)/C=C/[C@@H]1C(=N)C2=CC=CC=C2[C@]1(C#N)C3=CC=CC=C3
InChI: InChI=1S/C20H16N2O2/c1-24-18(23)12-11-17-19(22)15-9-5-6-10-16(15)20(17,13-21)14-7-3-2-4-8-14/h2-12,17,22H,1H3/b12-11+,22-19?/t17-,20+/m1/s1
SMILES: CC[C@H]([C@H]1C[C@H]([C@H](C[C@H](O1)[C@H](CCOCC2=CC=CC=C2)OCC3=CC=C(C=C3)OC)[Si](CC)(CC)CC)O)O
InChI: InChI=1S/C33H52O6Si/c1-6-28(34)31-21-29(35)33(40(7-2,8-3)9-4)22-32(39-31)30(19-20-37-23-25-13-11-10-12-14-25)38-24-26-15-17-27(36-5)18-16-26/h10-18,28-35H,6-9,19-24H2,1-5H3/t28-,29-,30+,31-,32+,33+/m1/s1
SMILES: CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C14H19NO6/c1-8(16)15-7-10-11(17)12(18)13(19)14(21-10)20-9-5-3-2-4-6-9/h2-6,10-14,17-19H,7H2,1H3,(H,15,16)/t10-,11-,12+,13-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC(=C(C(=C2)OC)OC(=O)C)OC
InChI: InChI=1S/C19H27N3O4S/c1-12-7-5-6-8-15(12)21-19(27)22-20-11-14-9-16(24-3)18(26-13(2)23)17(10-14)25-4/h9-12,15H,5-8H2,1-4H3,(H2,21,22,27)/b20-11-/t12-,15+/m1/s1
SMILES: CCOC(C)OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(C)OCC
InChI: InChI=1S/C16H28O6/c1-5-18-10(3)20-9-13-12-7-16(17)22-14(12)8-15(13)21-11(4)19-6-2/h10-15H,5-9H2,1-4H3/t10?,11?,12-,13-,14+,15-/m1/s1