EdisonScientific/glyph-datasets huggingface dataset:
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)[C@@H]5CCCN5C(=O)C(F)(F)F)CN(C)[C@@H](C)C6=CC=CC=C6
InChI: InChI=1S/C42H46F3N3O5/c1-27-37(25-47(3)28(2)30-10-5-4-6-11-30)52-40(53-38(27)32-17-15-29(26-49)16-18-32)33-21-19-31(20-22-33)35-13-8-7-12-34(35)24-46-39(50)36-14-9-23-48(36)41(51)42(43,44)45/h4-8,10-13,15-22,27-28,36-38,40,49H,9,14,23-26H2,1-3H3,(H,46,50)/t27-,28-,36-,37+,38+,40+/m0/s1
SMILES: CCOC(=O)CCN1C(=O)[C@@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@@H]([C@H]4[C@@H](C3=O)O4)O
InChI: InChI=1S/C17H19NO7/c1-2-24-9(19)5-6-18-16(22)8-4-3-7-10(11(8)17(18)23)13(21)15-14(25-15)12(7)20/h3,8,10-11,13-15,21H,2,4-6H2,1H3/t8-,10+,11-,13+,14-,15+/m1/s1
SMILES: COC(=O)[C@]12C[C@H]([C@H]3[C@@H]([C@H]1CO[C@H](O2)C4=CC=CC=C4)O3)CO
InChI: InChI=1S/C17H20O6/c1-20-16(19)17-7-11(8-18)13-14(22-13)12(17)9-21-15(23-17)10-5-3-2-4-6-10/h2-6,11-15,18H,7-9H2,1H3/t11-,12+,13-,14+,15+,17-/m0/s1
SMILES: C[C@@H]1[C@@H](COC(O1)C2=CC=C(C=C2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C27H25NO6/c1-16-24(15-32-26(34-16)18-12-10-17(11-13-18)25(29)30)28-27(31)33-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,16,23-24,26H,14-15H2,1H3,(H,28,31)(H,29,30)/t16-,24-,26?/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]6CCCO6)C(=O)CC7=CC(=C(C=C7)OC)OC)O)C(=C5)C(=O)C8=CC=CO8)O)C
InChI: InChI=1S/C42H53NO8/c1-38-14-11-28(44)23-40(38)17-18-42(30(24-40)37(46)32-8-6-20-51-32)34(38)12-15-39(2)35(42)13-16-41(39,47)26-43(25-29-7-5-19-50-29)36(45)22-27-9-10-31(48-3)33(21-27)49-4/h6,8-10,17-18,20-21,24,28-29,34-35,44,47H,5,7,11-16,19,22-23,25-26H2,1-4H3/t28?,29-,34-,35-,38-,39+,40+,41-,42-/m1/s1
SMILES: CC1CCCCC12OO[C@@H]3[C@H]4CC[C@H](C4)[C@@]3(OO2)C5=CC=CC=C5
InChI: InChI=1S/C20H26O4/c1-14-7-5-6-12-19(14)22-21-18-15-10-11-17(13-15)20(18,24-23-19)16-8-3-2-4-9-16/h2-4,8-9,14-15,17-18H,5-7,10-13H2,1H3/t14?,15-,17+,18+,19?,20-/m0/s1
SMILES: CCC(C)/C=C/C=C/C=C/C(=O)NC1=C[C@]([C@@H](CC1=O)O)(/[13CH]=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O
InChI: InChI=1S/C29H34N2O7/c1-3-20(2)12-8-4-5-9-13-26(36)30-21-19-29(38,25(35)18-24(21)34)17-11-7-6-10-14-27(37)31-28-22(32)15-16-23(28)33/h4-14,17,19-20,25,32,35,38H,3,15-16,18H2,1-2H3,(H,30,36)(H,31,37)/b5-4+,7-6+,12-8+,13-9+,14-10+,17-11+/t20?,25-,29+/m1/s1/i17+1
SMILES: CCOC(=O)/C=C(\C)/N1[C@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C25H28N2O4/c1-5-31-23(28)14-16(2)27-25(18-7-10-19(29-3)11-8-18)21-13-9-17-6-12-20(30-4)15-22(17)24(21)26-27/h6-8,10-12,14-15,21,25H,5,9,13H2,1-4H3/b16-14+/t21-,25-/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)N(C2=CC(=O)C(=C(C1)C2=O)N)CC(=O)C3=CC(=C(C=C3)N=[N+]=[N-])I)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C36H43IN6O9/c1-18-12-23-31(38)27(44)16-26(33(23)47)43(17-28(45)22-10-11-25(41-42-40)24(37)15-22)35(48)19(2)8-7-9-29(50-5)34(52-36(39)49)21(4)14-20(3)32(46)30(13-18)51-6/h7-11,14-16,18,20,29-30,32,34,46H,12-13,17,38H2,1-6H3,(H2,39,49)/b9-7-,19-8+,21-14+/t18-,20+,29+,30+,32-,34+/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@H]([C@@H]4CCCC4=C2C1)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H20ClNO2/c21-11-7-9-12(10-8-11)22-19(23)17-15-5-1-3-13(15)14-4-2-6-16(14)18(17)20(22)24/h7-10,15-18H,1-6H2/t15-,16-,17-,18+/m1/s1
SMILES: C1CCC(C1)[C@](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2SCCCCCC(=O)O)Cl)O)(C(C(C(C(CO)O)O)O)O)O
InChI: InChI=1S/C24H41ClO9S/c25-16-12-17(27)15(22(16)35-11-5-1-2-8-19(29)30)9-10-24(34,14-6-3-4-7-14)23(33)21(32)20(31)18(28)13-26/h9-10,14-18,20-23,26-28,31-34H,1-8,11-13H2,(H,29,30)/b10-9+/t15-,16-,17+,18?,20?,21?,22+,23?,24+/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C52H42N4O11/c1-64-39-24-19-32(20-25-39)15-16-33-21-26-42-41(29-33)52(50(60)54(42)51(61)66-31-34-17-22-38(23-18-34)56(62)63)43(48(53)58)45-49(59)67-46(36-11-6-3-7-12-36)44(35-9-4-2-5-10-35)55(45)47(52)37-13-8-14-40(30-37)65-28-27-57/h2-14,17-26,29-30,43-47,57H,27-28,31H2,1H3,(H2,53,58)/t43-,44-,45-,46+,47+,52-/m0/s1
SMILES: C1CN(CCN(C1)C2=NC=CC=N2)CC(CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)O.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C20H27N5O3.C4H4O4/c26-15(14-25-18(27)16-5-1-2-6-17(16)19(25)28)13-23-9-4-10-24(12-11-23)20-21-7-3-8-22-20;5-3(6)1-2-4(7)8/h1-3,7-8,15-17,26H,4-6,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15?,16-,17+;
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)C4=C(C=C(C=C4O)C)C)C(C)(C)C5=CC=CC=C5
InChI: InChI=1S/C35H38O3/c1-22-15-18-29(35(4,5)26-12-7-6-8-13-26)31(21-22)38-34(37)28-17-16-25-11-9-10-14-27(25)33(28)32-24(3)19-23(2)20-30(32)36/h6-14,16-17,19-20,22,29,31,36H,15,18,21H2,1-5H3/t22-,29-,31-/m1/s1
SMILES: CC1(CC2=C([C@@H]([C@@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)Br)C(=O)C1)C
InChI: InChI=1S/C24H20BrNO2/c1-24(2)11-17-20(18(27)12-24)19(13-6-5-7-14(25)10-13)21-22(26-17)15-8-3-4-9-16(15)23(21)28/h3-10,19,21H,11-12H2,1-2H3/t19-,21+/m0/s1
SMILES: CC1=C(C=CC(=C1)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C18H24N2O4/c1-13-11-15(8-9-16(13)20(22)23)24-12-18(21)19-10-4-6-14-5-2-3-7-17(14)19/h8-9,11,14,17H,2-7,10,12H2,1H3/t14-,17+/m0/s1
SMILES: C[C@H]1[C@@](O1)(C)C(=O)O[C@H]2CC3=C(C=C4C(=C3)C=CC(=O)O4)OC2(C)C
InChI: InChI=1S/C19H20O6/c1-10-19(4,24-10)17(21)23-15-8-12-7-11-5-6-16(20)22-13(11)9-14(12)25-18(15,2)3/h5-7,9-10,15H,8H2,1-4H3/t10-,15-,19-/m0/s1
SMILES: CC1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=CC=C3)O)C
InChI: InChI=1S/C20H19N5O2/c1-20(2)18(26)17(15-10-13(11-21)8-9-16(15)27-20)25-19(23-12-22)24-14-6-4-3-5-7-14/h3-10,17-18,26H,1-2H3,(H2,23,24,25)/t17-,18-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@]3(CCC[C@@H]4[C@H]3CC(=O)O4)[C@@H](CO)O
InChI: InChI=1S/C27H36O5Si/c1-26(2,3)33(20-11-6-4-7-12-20,21-13-8-5-9-14-21)31-19-27(24(29)18-28)16-10-15-23-22(27)17-25(30)32-23/h4-9,11-14,22-24,28-29H,10,15-19H2,1-3H3/t22-,23-,24-,27-/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)Cl)F
InChI: InChI=1S/C18H20ClFN2O6/c1-9-5-16(23)12(13(9)8-22(26)27)7-17(24)28-10(2)18(25)21-15-4-3-11(19)6-14(15)20/h3-4,6,9-10,12-13H,5,7-8H2,1-2H3,(H,21,25)/t9-,10-,12+,13+/m0/s1
SMILES: C/C(=C\CO)/CC[C@H]1C(=C)[C@H](CC2[C@@]1(CCC[C@]2(C)C(=O)OC)C)O
InChI: InChI=1S/C21H34O4/c1-14(9-12-22)7-8-16-15(2)17(23)13-18-20(16,3)10-6-11-21(18,4)19(24)25-5/h9,16-18,22-23H,2,6-8,10-13H2,1,3-5H3/b14-9+/t16-,17-,18?,20+,21-/m0/s1
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
InChI: InChI=1S/2C16H18N2O4S.C13H20N2O2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t2*11-,12+,14-;/m11./s1
SMILES: CC1(COC(=N1)[C@H]2[C@@H](N2C3=CC=CC=C3)C4=CC=CC=N4)C
InChI: InChI=1S/C18H19N3O/c1-18(2)12-22-17(20-18)16-15(14-10-6-7-11-19-14)21(16)13-8-4-3-5-9-13/h3-11,15-16H,12H2,1-2H3/t15-,16+,21?/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C13H24O32S7/c1-35-12-10(44-51(29,30)31)8(42-49(23,24)25)6(4(38-12)2-36-46(14,15)16)40-13-11(45-52(32,33)34)9(43-50(26,27)28)7(41-48(20,21)22)5(39-13)3-37-47(17,18)19/h4-13H,2-3H2,1H3,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@@H](C4)O)[C@@H](S3(=O)=O)F)C
InChI: InChI=1S/C27H43FO3S/c1-17(2)7-5-8-18(3)23-12-13-24-19(9-6-14-27(23,24)4)15-25-22-16-20(29)10-11-21(22)26(28)32(25,30)31/h15,17-18,20,23-26,29H,5-14,16H2,1-4H3/b19-15+/t18-,20+,23-,24+,25?,26-,27-/m1/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C14H14Cl2N2O4S2/c1-22-5-13(19)17-14-18(10-3-8(15)2-9(16)4-10)11-6-24(20,21)7-12(11)23-14/h2-4,11-12H,5-7H2,1H3/t11-,12+/m0/s1
SMILES: C[C@H]1[C@@](NC(=N1)C2=CN(C(=O)C(=C2)Cl)C)(C3=CC=C(C=C3)F)C4=CN=C(C=C4)F
InChI: InChI=1S/C21H17ClF2N4O/c1-12-21(14-3-6-16(23)7-4-14,15-5-8-18(24)25-10-15)27-19(26-12)13-9-17(22)20(29)28(2)11-13/h3-12H,1-2H3,(H,26,27)/t12-,21+/m0/s1
SMILES: CCOC(=O)N1[C@@H]2[C@H](C1=O)[C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C31H33NO7/c1-2-36-31(34)32-29(33)26-28(38-20-24-16-10-5-11-17-24)27(37-19-23-14-8-4-9-15-23)25(39-30(26)32)21-35-18-22-12-6-3-7-13-22/h3-17,25-28,30H,2,18-21H2,1H3/t25-,26+,27-,28-,30+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)O
InChI: InChI=1S/C31H25BrCl2N2O7/c1-2-5-15-6-4-9-20(24(15)37)23-18-10-11-19-22(21(18)13-30(33)28(42)35(14-32)29(43)31(23,30)34)26(39)36(25(19)38)17-8-3-7-16(12-17)27(40)41/h2-4,6-10,12,19,21-23,37H,1,5,11,13-14H2,(H,40,41)/t19-,21+,22-,23+,30+,31-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)O)CCCCO)CCCCO)N(CC6=CC=C(C=C6)F)C(=O)CCC7CCCC7
InChI: InChI=1S/C47H63FN2O8/c1-2-26-56-47-42(50(31-33-16-19-35(48)20-17-33)43(54)23-18-32-11-3-4-12-32)30-40(49-58-44-15-7-10-27-55-44)38-28-34(13-5-8-24-51)37(14-6-9-25-52)45(46(38)47)39-29-36(53)21-22-41(39)57-47/h2,16-17,19-22,28-29,32,34,37,42,44-46,51-53H,1,3-15,18,23-27,30-31H2/t34-,37+,42-,44?,45+,46+,47+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)C3=CC=C(C=C3)C(F)(F)F)C4CCCCC4
InChI: InChI=1S/C23H24F3NO2/c1-29-19-13-11-18(12-14-19)27-21(16-5-3-2-4-6-16)20(22(27)28)15-7-9-17(10-8-15)23(24,25)26/h7-14,16,20-21H,2-6H2,1H3/t20-,21+/m1/s1
SMILES: C([C@@H]1[C@@H](C([C@H]([C@H](O1)O[C@@H]2[C@@H](C([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7?,8?,9-,10-,11-,12-/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=C(C=C(C=C7)OC)O)Cl)C8=CC=C(C=C8)F)Cl)OC)OC
InChI: InChI=1S/C38H33Cl2FN6O9/c1-43-26-17-30(56-4)29(55-3)16-25(26)42-24(32(43)49)12-13-44-35(52)45-14-11-22-27(47(45)36(44)53)18-37(39)33(50)46(20-7-5-19(41)6-8-20)34(51)38(37,40)31(22)23-10-9-21(54-2)15-28(23)48/h5-11,15-17,27,31,48H,12-14,18H2,1-4H3/t27-,31-,37-,38+/m1/s1
SMILES: C[C@@H]1/C=C/CC(=O)N[C@@H](C(=O)OC[C@H]([C@H](/C=C/CC(=O)OC[C@H]1OC)C)OC)C
InChI: InChI=1S/C21H33NO7/c1-14-8-6-10-19(23)22-16(3)21(25)29-13-18(27-5)15(2)9-7-11-20(24)28-12-17(14)26-4/h6-9,14-18H,10-13H2,1-5H3,(H,22,23)/b8-6+,9-7+/t14-,15+,16-,17-,18-/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2C[C@@H](C3=C1C4=CC=CC=C4N3C(=O)OC)N(C=C2C=C)CCO
InChI: InChI=1S/C22H24N2O5/c1-4-13-12-23(9-10-25)17-11-15(13)19(21(26)28-2)18-14-7-5-6-8-16(14)24(20(17)18)22(27)29-3/h4-8,12,15,17,19,25H,1,9-11H2,2-3H3/t15-,17-,19-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C3=C(N=C(N(C3=O)N)N)N(C2=O)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H20N6O6/c18-16-20-13-10(14(27)23(16)19)21(6-8-4-2-1-3-5-8)17(28)22(13)15-12(26)11(25)9(7-24)29-15/h1-5,9,11-12,15,24-26H,6-7,19H2,(H2,18,20)/t9-,11-,12-,15-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C[C@H](C1)N2CC3=CC=CC=C3)C4=CN=C(C=C4)Cl
InChI: InChI=1S/C20H23ClN2/c21-20-11-10-16(13-22-20)18-12-17-8-4-5-9-19(18)23(17)14-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,17-19H,4-5,8-9,12,14H2/t17-,18+,19+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CCC4=O)C)O)Cl)O
InChI: InChI=1S/C19H29ClO3/c1-17-10-16(23)19(20)14(13(17)5-6-15(17)22)4-3-11-9-12(21)7-8-18(11,19)2/h11-14,16,21,23H,3-10H2,1-2H3/t11-,12-,13-,14-,16-,17-,18-,19-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C(N=C(N6)CC8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C35H35N3O3/c39-26-14-13-24-18-27-35(40)19-25-30(23-9-5-2-6-10-23)36-28(17-21-7-3-1-4-8-21)37-31(25)33-34(35,29(24)32(26)41-33)15-16-38(27)20-22-11-12-22/h1-10,13-14,22,27,30,33,39-40H,11-12,15-20H2,(H,36,37)/t27-,30?,33+,34+,35-/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@@H]([C@H]3[C@H]2C=CC3)C4=CC=C(C=C4)C(=O)[O-])Cl
InChI: InChI=1S/C20H18ClNO2/c1-11-17(21)10-9-16-14-3-2-4-15(14)19(22-18(11)16)12-5-7-13(8-6-12)20(23)24/h2-3,5-10,14-15,19,22H,4H2,1H3,(H,23,24)/p-1/t14-,15-,19-/m1/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)NO)/C(=N\O)/N
InChI: InChI=1S/C12H16N6O6/c13-9(16-22)4-1-18(11-6(4)10(17-23)14-3-15-11)12-8(21)7(20)5(2-19)24-12/h1,3,5,7-8,12,19-23H,2H2,(H2,13,16)(H,14,15,17)/t5-,7-,8+,12-/m0/s1
SMILES: COP(=O)([C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N)OC
InChI: InChI=1S/C12H18N5O5P/c1-20-23(19,21-2)8-3-9(22-7(8)4-18)17-6-16-10-11(13)14-5-15-12(10)17/h5-9,18H,3-4H2,1-2H3,(H2,13,14,15)/t7-,8+,9-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C=C[C@H](O1)OCC=C)OCC#C
InChI: InChI=1S/C18H30O4Si/c1-8-12-19-15-10-11-17(20-13-9-2)22-16(15)14-21-23(6,7)18(3,4)5/h1,9-11,15-17H,2,12-14H2,3-7H3/t15-,16+,17-/m0/s1
SMILES: C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC([C@@H]5C6=CC(=O)OC6)O)O)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O
InChI: InChI=1S/C34H50O14/c1-15-29(48-30-27(41)25(39)22(37)13-45-30)26(40)28(42)31(46-15)47-18-5-8-33(14-35)17(10-18)3-4-20-19(33)6-7-32(2)24(16-9-23(38)44-12-16)21(36)11-34(20,32)43/h9,14-15,17-22,24-31,36-37,39-43H,3-8,10-13H2,1-2H3/t15-,17+,18-,19-,20+,21?,22+,24-,25-,26-,27+,28-,29?,30-,31?,32+,33+,34-/m0/s1
SMILES: C1[C@H]2[C@H](C(=O)O1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C/C=C\C[N+]4=CC=CC5=C4CCC5)C(=O)O
InChI: InChI=1S/C25H26N6O5S2/c1-36-29-18(16-13-38-25(26)27-16)21(32)28-19-22(33)31-20(24(34)35)15(12-37-23(19)31)6-2-3-10-30-11-5-8-14-7-4-9-17(14)30/h2-3,5,8,11,13,19,23H,4,6-7,9-10,12H2,1H3,(H3-,26,27,28,32,34,35)/p+1/b3-2-,29-18-/t19-,23-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)N)CO)O)O
InChI: InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
SMILES: COC1=CC(=C(C=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)CCCC(=O)O)O
InChI: InChI=1S/C37H33ClFN3O8/c1-50-23-12-13-25(29(43)17-23)32-24-14-15-26-31(35(48)41(33(26)46)16-2-3-30(44)45)27(24)18-28-34(47)42(40-22-10-8-21(39)9-11-22)36(49)37(28,32)19-4-6-20(38)7-5-19/h4-14,17,26-28,31-32,40,43H,2-3,15-16,18H2,1H3,(H,44,45)/t26-,27+,28-,31-,32+,37+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=C(C=C(C=C5OC)O)OC)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C38H35NO7/c1-4-39-36(43)25-16-15-24-27(32(25)37(39)44)19-28-35(42)26(21-11-7-5-8-12-21)20-31(41)38(28,22-13-9-6-10-14-22)34(24)33-29(45-2)17-23(40)18-30(33)46-3/h5-15,17-18,20,25,27-28,32,34,40H,4,16,19H2,1-3H3/t25-,27+,28-,32-,34+,38-/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H]([C@@H]3[C@@H](C=CC(=O)O3)O)O
InChI: InChI=1S/C19H18O4/c20-15-11-12-16(21)23-19(15)18(22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15,17-20,22H/t15-,18+,19+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]3C=C([C@H]([C@H]2OCC4=CC=CC=C4)O3)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H24O5S/c27-32(28,21-14-8-3-9-15-21)23-16-22-24(29-17-19-10-4-1-5-11-19)26(25(23)31-22)30-18-20-12-6-2-7-13-20/h1-16,22,24-26H,17-18H2/t22-,24-,25+,26-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)C[C@H]([C@]34[C@H]2CC(=O)[C@H]([C@H]3O)C(=C)C4=O)O)C
InChI: InChI=1S/C22H30O6/c1-10-17-12(24)8-14-21(5)7-6-16(28-11(2)23)20(3,4)13(21)9-15(25)22(14,18(10)26)19(17)27/h13-17,19,25,27H,1,6-9H2,2-5H3/t13-,14+,15-,16+,17-,19-,21-,22+/m1/s1
SMILES: COC1=C(C=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H]2N=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC(=C(C=C4)OC)OC)COCC5=CC=CC=C5)OC
InChI: InChI=1S/C38H43N3O8/c1-42-31-17-15-28(19-33(31)44-3)23-47-36-30(25-46-21-26-11-7-5-8-12-26)37(48-24-29-16-18-32(43-2)34(20-29)45-4)38(35(36)40-41-39)49-22-27-13-9-6-10-14-27/h5-20,30,35-38H,21-25H2,1-4H3/t30-,35-,36-,37+,38+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)CO[C@@H]2[C@H]([C@H]([C@H](O2)[C@@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C47H54O14/c1-31(48)57-41-39(60-46(51-4)45(59-33(3)50)43(41)58-32(2)49)30-56-47-44(55-28-37-23-15-8-16-24-37)42(54-27-36-21-13-7-14-22-36)40(61-47)38(53-26-35-19-11-6-12-20-35)29-52-25-34-17-9-5-10-18-34/h5-24,38-47H,25-30H2,1-4H3/t38-,39-,40-,41-,42+,43+,44+,45-,46+,47+/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25+,26-/m0/s1
SMILES: C1CN2[C@H]([C@@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H17Cl2N3O2/c21-13-4-2-12(3-5-13)17-16-18(24-11-1-10-23(17)24)20(27)25(19(16)26)15-8-6-14(22)7-9-15/h2-9,16-18H,1,10-11H2/t16-,17+,18+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C
InChI: InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1
SMILES: COC(=O)CCSCC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N
InChI: InChI=1S/C19H24N4O7S/c1-28-11(24)3-4-31-7-8-13(20)16(26)12-9(6-30-18(21)27)19(29-2)17-10(22-17)5-23(19)14(12)15(8)25/h9-10,17,22H,3-7,20H2,1-2H3,(H2,21,27)/t9-,10+,17+,19-/m1/s1
SMILES: CC1=C[C@H]([C@H]2[C@H](C/C(=C/CC1)/C)OC(=O)[C@H]2C[NH+]3CCCCC3)O
InChI: InChI=1S/C20H31NO3/c1-14-7-6-8-15(2)12-18-19(17(22)11-14)16(20(23)24-18)13-21-9-4-3-5-10-21/h8,11,16-19,22H,3-7,9-10,12-13H2,1-2H3/p+1/b14-11?,15-8+/t16-,17+,18-,19-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C
InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
SMILES: CC(=O)O[C@@H]([C@H](CC1=CC=CC=C1)C(=O)N2[C@H](COC2=O)CC3=CC=CC=C3)C(=O)C=CC(=O)CCCO[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C50H55NO13/c1-34(53)63-44(41(29-36-18-9-4-10-19-36)48(56)51-39(33-62-50(51)57)28-35-16-7-3-8-17-35)42(55)26-25-40(54)24-15-27-59-47-46(61-32-38-22-13-6-14-23-38)45(43(30-52)64-49(47)58-2)60-31-37-20-11-5-12-21-37/h3-14,16-23,25-26,39,41,43-47,49,52H,15,24,27-33H2,1-2H3/t39-,41-,43+,44-,45+,46-,47-,49-/m0/s1
SMILES: C[C@@]1([C@H]2C[C@H](C2(C)C)CC1=N[C@H](CC3=CC=CC=C3)C4=NC=CS4)O
InChI: InChI=1S/C21H26N2OS/c1-20(2)15-12-17(20)21(3,24)18(13-15)23-16(19-22-9-10-25-19)11-14-7-5-4-6-8-14/h4-10,15-17,24H,11-13H2,1-3H3/t15-,16+,17-,21-/m0/s1
SMILES: C[C@H]1CC=C([C@H]1CCCOCC2=CC=C(C=C2)OC)/C(=C\C[C@H]3[C@H](CC[C@]3(C)CO[Si](C)(C)C(C)(C)C)C(C)C)/C(=O)OC
InChI: InChI=1S/C38H62O5Si/c1-27(2)31-22-23-38(7,26-43-44(10,11)37(4,5)6)35(31)21-20-34(36(39)41-9)33-19-14-28(3)32(33)13-12-24-42-25-29-15-17-30(40-8)18-16-29/h15-20,27-28,31-32,35H,12-14,21-26H2,1-11H3/b34-20+/t28-,31+,32-,35-,38+/m0/s1
SMILES: C[C@H](/C=C/C(C)C(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
InChI: InChI=1S/C27H38O3/c1-17(6-7-18(2)25(29)30-5)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@H]2[C@@H]1[C@@H]3C[C@H]2C=C3)O
InChI: InChI=1S/C12H16O3/c1-6(13)15-10-5-9(14)11-7-2-3-8(4-7)12(10)11/h2-3,7-12,14H,4-5H2,1H3/t7-,8+,9+,10-,11+,12-/m1/s1
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H31N3O3S/c1-15(23-12-11-16-7-4-5-8-17(16)14-23)20(24)21-18-9-6-10-19(13-18)27(25,26)22(2)3/h6,9-10,13,15-17H,4-5,7-8,11-12,14H2,1-3H3,(H,21,24)/p+1/t15-,16+,17-/m1/s1
SMILES: C1[C@H]2[C@H](C=C[C@@]2(C3=CC=CC=C3)C4=CC=CC=N4)OC1=O
InChI: InChI=1S/C18H15NO2/c20-17-12-14-15(21-17)9-10-18(14,13-6-2-1-3-7-13)16-8-4-5-11-19-16/h1-11,14-15H,12H2/t14-,15-,18-/m0/s1
SMILES: CC(C)C[C@@H](CC(=O)N[C@@H](CCCN)CC(=O)N[C@@H]1CCNC[C@H]1C(=O)N[C@@H](CC(C)C)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)[C@@H]2CCCC[C@H]2N
InChI: InChI=1S/C39H70N8O9/c1-23(2)16-27(45-38(55)29-9-5-6-10-31(29)41)19-33(48)43-25(8-7-14-40)18-35(50)47-32-13-15-42-22-30(32)39(56)46-28(17-24(3)4)20-34(49)44-26(21-37(53)54)11-12-36(51)52/h23-32,42H,5-22,40-41H2,1-4H3,(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,47,50)(H,51,52)(H,53,54)/t25-,26-,27-,28-,29+,30+,31+,32+/m0/s1
SMILES: C1=C(C(=C(C(=C1O)O)Br)Br)CNC2=NC=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H17Br2N5O6/c18-10-6(1-8(26)12(27)11(10)19)2-20-17-21-3-7-15(23-17)24(5-22-7)16-14(29)13(28)9(4-25)30-16/h1,3,5,9,13-14,16,25-29H,2,4H2,(H,20,21,23)/t9-,13-,14-,16-/m1/s1
SMILES: CC[C@H]1C(=C)C(=O)O[C@]12C[C@H](O[C@H]3[C@H]2O[C@@H](OC3)C4=CC=CC=C4)OC
InChI: InChI=1S/C20H24O6/c1-4-14-12(2)18(21)26-20(14)10-16(22-3)24-15-11-23-19(25-17(15)20)13-8-6-5-7-9-13/h5-9,14-17,19H,2,4,10-11H2,1,3H3/t14-,15+,16-,17+,19+,20+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C19H19F3N2O5/c20-19(21,22)13-7-3-4-8-14(13)23-15(25)10-29-16(26)9-24-17(27)11-5-1-2-6-12(11)18(24)28/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,23,25)/t11-,12-/m0/s1
SMILES: COCNC(=O)[C@@H]1[C@H]2CCC(N2CCCN(CCS)CC(=O)NCCS)C[C@@H]1C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C29H42N4O3S2/c1-36-20-31-29(35)28-25(23-8-7-21-5-2-3-6-22(21)17-23)18-24-9-10-26(28)33(24)13-4-12-32(14-16-38)19-27(34)30-11-15-37/h2-3,5-8,17,24-26,28,37-38H,4,9-16,18-20H2,1H3,(H,30,34)(H,31,35)/t24?,25-,26-,28+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CCCN4[C@@]5([C@H]3C2=O)C6=C(C=CC(=C6)C)NC5=O
InChI: InChI=1S/C24H23N3O3/c1-13-5-8-15(9-6-13)27-21(28)19-18-4-3-11-26(18)24(20(19)22(27)29)16-12-14(2)7-10-17(16)25-23(24)30/h5-10,12,18-20H,3-4,11H2,1-2H3,(H,25,30)/t18-,19+,20-,24-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCC(=O)[O-]
InChI: InChI=1S/C20H23N3O5/c1-3-10(2)23-17(26)15-13(8-9-14(24)25)22-20(16(15)18(23)27)11-6-4-5-7-12(11)21-19(20)28/h4-7,10,13,15-16,22H,3,8-9H2,1-2H3,(H,21,28)(H,24,25)/t10-,13+,15-,16+,20-/m1/s1
SMILES: C[C@@H](C(=O)OCC1=NN=C(O1)C2=CC=CO2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C18H17N3O6/c1-10(21-16(22)11-5-2-3-6-12(11)17(21)23)18(24)26-9-14-19-20-15(27-14)13-7-4-8-25-13/h2-4,7-8,10-12H,5-6,9H2,1H3/t10-,11+,12+/m0/s1
SMILES: C1CCC(CC1)([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)[N+](=O)[O-]
InChI: InChI=1S/C12H17NO5/c14-9-6-8(10-7-17-11(9)18-10)12(13(15)16)4-2-1-3-5-12/h8,10-11H,1-7H2/t8-,10+,11+/m0/s1
SMILES: C1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C20H21Cl2NO8/c21-10-5-4-9(6-11(10)22)7-23-19(29)15-12(25)2-1-3-13(15)30-20-18(28)17(27)16(26)14(8-24)31-20/h1-6,14,16-18,20,24-28H,7-8H2,(H,23,29)/t14-,16-,17+,18-,20-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)I)Cl
InChI: InChI=1S/C28H22Cl2I2N2O6/c1-33-25(38)27(29)11-17-15(21(28(27,30)26(33)39)12-9-18(32)22(35)19(10-12)40-2)7-8-16-20(17)24(37)34(23(16)36)14-5-3-13(31)4-6-14/h3-7,9-10,16-17,20-21,35H,8,11H2,1-2H3/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C=C(Cl)Cl)C
InChI: InChI=1S/C19H22Cl2N2O2/c1-19(2)13(7-15(20)21)17(19)18(25)22-8-11-6-12(10-22)14-4-3-5-16(24)23(14)9-11/h3-5,7,11-13,17H,6,8-10H2,1-2H3/t11-,12+,13+,17+/m0/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@@H](N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Br)C(=O)NC4=O
InChI: InChI=1S/C21H15BrN2O3/c22-13-7-5-12(6-8-13)19(25)18-16-15(20(26)23-21(16)27)17-14-4-2-1-3-11(14)9-10-24(17)18/h1-10,15-18H,(H,23,26,27)/t15-,16+,17+,18+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CC=C3F)F
InChI: InChI=1S/C21H26F2N2O4/c1-12-5-3-8-17(13(12)2)25-10-14(9-19(25)27)21(28)29-11-18(26)24-20-15(22)6-4-7-16(20)23/h4,6-7,12-14,17H,3,5,8-11H2,1-2H3,(H,24,26)/t12-,13+,14+,17+/m0/s1
SMILES: C1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC(C(C(C5)O)O)O
InChI: InChI=1S/C23H32N6O7/c30-8-15-19(34)16(28-22(35)11-6-13(31)18(33)14(32)7-11)23(36-15)29-10-26-17-20(24-9-25-21(17)29)27-12-4-2-1-3-5-12/h6,9-10,12-16,18-19,23,30-34H,1-5,7-8H2,(H,28,35)(H,24,25,27)/t13?,14?,15-,16-,18?,19-,23-/m1/s1