EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C
InChI: InChI=1S/C30H39NO5/c1-18-10-9-13-22-26-29(5,36-26)19(2)25-23(16-21-11-7-6-8-12-21)31-27(33)30(22,25)24(35-20(3)32)14-15-28(4,34)17-18/h6-9,11-15,18-19,22-26,34H,10,16-17H2,1-5H3,(H,31,33)/b13-9+,15-14+/t18-,19-,22-,23-,24+,25-,26-,28-,29+,30+/m0/s1
SMILES: C1COC2(O1)C[C@@H]3[C@@H]4[C@H]2[C@@H]5C=C[C@H]3[C@@H]5C4
InChI: InChI=1S/C13H16O2/c1-2-8-9-5-10-11(7(1)9)6-13(12(8)10)14-3-4-15-13/h1-2,7-12H,3-6H2/t7-,8+,9-,10+,11-,12+/m0/s1
SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC
InChI: InChI=1S/C26H35FO6/c1-6-22(31)33-26(21(30)14-32-5)15(2)11-19-18-8-7-16-12-17(28)9-10-23(16,3)25(18,27)20(29)13-24(19,26)4/h9-10,12,15,18-20,29H,6-8,11,13-14H2,1-5H3/t15-,18-,19-,20-,23-,24-,25?,26-/m0/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CCC=C3NC2=N1)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C17H17ClN4OS/c1-2-24-17-20-16-19-12-7-4-8-13(23)14(12)15(22(16)21-17)10-5-3-6-11(18)9-10/h3,5-7,9,14-15H,2,4,8H2,1H3,(H,19,20,21)/t14-,15-/m1/s1
SMILES: C#C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2C[NH2+]CC3=CC=CC=C3
InChI: InChI=1S/C17H22N2/c1-2-15-13-19-9-8-16(15)10-17(19)12-18-11-14-6-4-3-5-7-14/h1,3-7,15-18H,8-13H2/p+2/t15-,16-,17+/m0/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@]([C@@]3(C(=N2)N)C#N)(C)CC(C)C)C#N
InChI: InChI=1S/C15H20N4O2/c1-9(2)5-12(4)13(7-16)11(18)19-15(14(12,13)8-17)20-6-10(3)21-15/h9-10H,5-6H2,1-4H3,(H2,18,19)/t10-,12-,13-,14+,15+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O
InChI: InChI=1S/C16H19N3O5/c1-10-4-2-3-5-12(10)17-15(20)9-18-13-7-6-11(19(22)23)8-14(13)24-16(18)21/h6-8,10,12H,2-5,9H2,1H3,(H,17,20)/t10-,12-/m1/s1
SMILES: CC[C@H](C)[C@@H]([C@@H]1[C@H]([C@H]([C@H](N1)[N+](=O)[O-])C2=CC=CC=C2)C(=O)NCC(=O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C25H31N3O6/c1-3-16(2)23(34-15-17-10-6-4-7-11-17)22-21(25(31)26-14-19(29)30)20(24(27-22)28(32)33)18-12-8-5-9-13-18/h4-13,16,20-24,27H,3,14-15H2,1-2H3,(H,26,31)(H,29,30)/t16-,20+,21-,22-,23-,24+/m0/s1
SMILES: CC1=CC(=CC=C1)C2=CSC(=C2C(=O)OC)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C21H23NO5S/c1-12-6-5-7-13(10-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-8-3-4-9-15(14)20(24)25/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t14-,15-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)SC3CC4=[N+](C=CN4C3)C)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])O.[I-]
InChI: InChI=1S/C22H23N4O6S2.HI/c1-12(27)17-19(28)25-18(21(29)32-11-13-3-5-14(6-4-13)26(30)31)22(34-20(17)25)33-15-9-16-23(2)7-8-24(16)10-15;/h3-8,12,15,17,20,27H,9-11H2,1-2H3;1H/q+1;/p-1/t12-,15?,17+,20-;/m1./s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)C
InChI: InChI=1S/C23H30N2O5/c1-14-6-4-9-20(15(14)2)25-12-18(11-22(25)28)23(29)30-13-21(27)24-19-8-5-7-17(10-19)16(3)26/h5,7-8,10,14-15,18,20H,4,6,9,11-13H2,1-3H3,(H,24,27)/t14-,15-,18-,20-/m1/s1
SMILES: CCCCN1C(=O)[C@H]2[C@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)N(C)C
InChI: InChI=1S/C23H27N3O3/c1-4-5-15-25-22(27)19-20(16-11-13-17(14-12-16)24(2)3)26(29-21(19)23(25)28)18-9-7-6-8-10-18/h6-14,19-21H,4-5,15H2,1-3H3/t19-,20+,21+/m0/s1
SMILES: CC1=CC(=C2[C@@H]3C=CC[C@@H]3[C@@H](NC2=C1)C4=CC=C(C=C4)C(=O)O)C
InChI: InChI=1S/C21H21NO2/c1-12-10-13(2)19-16-4-3-5-17(16)20(22-18(19)11-12)14-6-8-15(9-7-14)21(23)24/h3-4,6-11,16-17,20,22H,5H2,1-2H3,(H,23,24)/t16-,17+,20+/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4([C@H]3CC/C4=N\O)C)O
InChI: InChI=1S/C19H31NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20-22)19(15,2)10-8-16(14)18/h12-16,21-22H,3-11H2,1-2H3/b20-17+/t12-,13+,14-,15-,16-,18-,19-/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)CCl
InChI: InChI=1S/C31H35ClO6S/c1-2-39-31-30(38-27(33)18-32)29(36-21-25-16-10-5-11-17-25)28(35-20-24-14-8-4-9-15-24)26(37-31)22-34-19-23-12-6-3-7-13-23/h3-17,26,28-31H,2,18-22H2,1H3/t26-,28-,29+,30-,31+/m1/s1
SMILES: CC(C)CN1C(=O)N(CC12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6(CCCC6)C)CC(F)F
InChI: InChI=1S/C33H48F2N4O2/c1-23(2)17-39-31(41)37(21-29(34)35)22-33(39)15-26-11-12-27(16-33)38(26)19-25-18-36(30(40)32(3)13-7-8-14-32)20-28(25)24-9-5-4-6-10-24/h4-6,9-10,23,25-29H,7-8,11-22H2,1-3H3/t25-,26?,27?,28-,33?/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC2=C3C4=C(CCC4)SC3=NC(=N2)C5=CN=CC=C5
InChI: InChI=1S/C22H26N4S/c1-13-6-3-9-17(14(13)2)24-21-19-16-8-4-10-18(16)27-22(19)26-20(25-21)15-7-5-11-23-12-15/h5,7,11-14,17H,3-4,6,8-10H2,1-2H3,(H,24,25,26)/t13-,14+,17+/m0/s1
SMILES: C[C@@H]1O[C@@H]([C@H](O1)C2=CC(=CC(=C2)OC)OC)CC(=O)OC
InChI: InChI=1S/C15H20O6/c1-9-20-13(8-14(16)19-4)15(21-9)10-5-11(17-2)7-12(6-10)18-3/h5-7,9,13,15H,8H2,1-4H3/t9-,13-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)C4=CC=C(C=C4)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H46O21S2/c1-19-9-13-27(14-10-19)60(45,46)49-17-29-31(51-21(3)39)33(53-23(5)41)35(55-25(7)43)37(57-29)59-38-36(56-26(8)44)34(54-24(6)42)32(52-22(4)40)30(58-38)18-50-61(47,48)28-15-11-20(2)12-16-28/h9-16,29-38H,17-18H2,1-8H3/t29-,30-,31-,32-,33+,34+,35-,36-,37-,38-/m1/s1
SMILES: C1CN([C@@H](CN1CC2=CC=C(O2)C3=NC=C(C=C3)Cl)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O
InChI: InChI=1S/C38H41ClF3N5O5/c39-27-10-12-31(43-19-27)34-13-11-29(52-34)21-46-14-15-47(32(22-46)37(51)44-23-38(40,41)42)20-28(48)17-26(16-24-6-2-1-3-7-24)36(50)45-35-30-9-5-4-8-25(30)18-33(35)49/h1-13,19,26,28,32-33,35,48-49H,14-18,20-23H2,(H,44,51)(H,45,50)/t26-,28+,32+,33-,35+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H22ClN3O2S/c1-11-4-3-5-15(12(11)2)20-16(23)10-25-18-22-21-17(24-18)13-6-8-14(19)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,20,23)/t11-,12-,15+/m1/s1
SMILES: CC(=C(C)CC[C@]1([C@@H](CC2=C(N1)C=CC(=C2)I)Cl)CO)C
InChI: InChI=1S/C17H23ClINO/c1-11(2)12(3)6-7-17(10-21)16(18)9-13-8-14(19)4-5-15(13)20-17/h4-5,8,16,20-21H,6-7,9-10H2,1-3H3/t16-,17-/m1/s1
SMILES: B1(OC[C@@H]([C@H](O1)C=C)O[C@@H]2CO[C@H](O[C@H]2CO)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H25BO6/c1-2-18-21(15-26-23(29-18)17-11-7-4-8-12-17)27-20-14-25-22(28-19(20)13-24)16-9-5-3-6-10-16/h2-12,18-22,24H,1,13-15H2/t18-,19+,20-,21+,22-/m1/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)O
InChI: InChI=1S/C18H20N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h1-5,8,11,14-15,20H,6-7,9-10H2,(H,19,21)(H,22,23)/t14-,15-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O[Si](C)(C)C(C)(C)C)CS(=O)(=O)N=P(C)(C3CCCC3)C4=CC=CC=C4)C
InChI: InChI=1S/C28H48NO3PSSi/c1-26(2,3)35(7,8)32-25-20-22-18-19-28(25,27(22,4)5)21-34(30,31)29-33(6,24-16-12-13-17-24)23-14-10-9-11-15-23/h9-11,14-15,22,24-25H,12-13,16-21H2,1-8H3/t22-,25-,28-,33?/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)F)F)CC(=O)N4CC[C@@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C29H31F2NO5/c1-17-22-8-9-25(36-16-19-6-7-21(30)13-24(19)31)18(2)27(22)37-28(34)23(17)14-26(33)32-12-11-29(35)10-4-3-5-20(29)15-32/h6-9,13,20,35H,3-5,10-12,14-16H2,1-2H3/t20-,29-/m1/s1
SMILES: C[C@@H]1[C@@H]([NH2+][C@@H]([C@@H](C1=O)C)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C15H17NO3/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-14,16H,1-2H3/p+1/t9-,10+,13-,14+
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)OC5CCCCO5)OC
InChI: InChI=1S/C24H32O5/c1-24-13-20(27-2)22-16-9-7-15(29-21-5-3-4-10-28-21)11-14(16)6-8-17(22)18(24)12-19(25)23(24)26/h7,9,11,17-22,25H,3-6,8,10,12-13H2,1-2H3/t17-,18-,19+,20-,21?,22+,24-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]2CCN1C[C@@]2(C3=CC=CC=C3)O
InChI: InChI=1S/C20H33NO2Si/c1-19(2,3)24(4,5)23-14-18-13-17-11-12-21(18)15-20(17,22)16-9-7-6-8-10-16/h6-10,17-18,22H,11-15H2,1-5H3/t17-,18+,20-/m0/s1
SMILES: CC(C)[C@@H]1C(=N[C@]2(CC[C@H]([C@H](C2)O)O)C(=N1)OC)OC
InChI: InChI=1S/C14H24N2O4/c1-8(2)11-12(19-3)16-14(13(15-11)20-4)6-5-9(17)10(18)7-14/h8-11,17-18H,5-7H2,1-4H3/t9-,10+,11-,14+/m1/s1
SMILES: CCOP(=O)([C@@]12[C@@H](C(=CC[C@@H]1C(C=CC2=O)(C)C)C)C)OCC
InChI: InChI=1S/C18H29O4P/c1-7-21-23(20,22-8-2)18-14(4)13(3)9-10-15(18)17(5,6)12-11-16(18)19/h9,11-12,14-15H,7-8,10H2,1-6H3/t14-,15-,18+/m1/s1
SMILES: C1=C2C(=CC(=C1I)I)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C12H11ClI2N2O4/c13-12-16-6-1-4(14)5(15)2-7(6)17(12)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9-,10-,11-/m1/s1
SMILES: C[C@@]1(CC[C@@]2(O1)C(=O)CC[C@H]3[C@]2(CCCC3(C)C)C)C=C
InChI: InChI=1S/C19H30O2/c1-6-17(4)12-13-19(21-17)15(20)9-8-14-16(2,3)10-7-11-18(14,19)5/h6,14H,1,7-13H2,2-5H3/t14-,17+,18-,19-/m1/s1
SMILES: CC1([C@H](C[C@]23[C@@H]4CC(=O)N2C=CC5=NC(=O)N[C@@]51N3C6=C4C(=CC(=C6)Br)Br)Cl)C
InChI: InChI=1S/C20H17Br2ClN4O2/c1-18(2)13(23)8-19-10-7-15(28)26(19)4-3-14-20(18,25-17(29)24-14)27(19)12-6-9(21)5-11(22)16(10)12/h3-6,10,13H,7-8H2,1-2H3,(H,25,29)/t10-,13+,19+,20-/m1/s1
SMILES: CCC(C)C(=O)O[C@@H]1[C@H]([C@@H](C/C(=C/C(=O)OC)/C2(COC3=C2C1=CC4=C3OCO4)C(=O)C(=O)OC)C)C
InChI: InChI=1S/C27H32O10/c1-7-13(2)25(30)37-21-15(4)14(3)8-16(9-19(28)32-5)27(24(29)26(31)33-6)11-34-23-20(27)17(21)10-18-22(23)36-12-35-18/h9-10,13-15,21H,7-8,11-12H2,1-6H3/b16-9-/t13?,14-,15+,21-,27?/m1/s1
SMILES: C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=C2C=CC(=C4)C5=NC(=NO5)C)C(=O)NC(=O)NC3=O
InChI: InChI=1S/C20H21N5O5/c1-9-8-25-14-5-4-12(16-21-11(3)24-30-16)6-13(14)7-20(15(25)10(2)29-9)17(26)22-19(28)23-18(20)27/h4-6,9-10,15H,7-8H2,1-3H3,(H2,22,23,26,27,28)/t9-,10+,15-/m1/s1
SMILES: CCC(C)C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1(C([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6CCOC6)C)C)CC(=O)OC)C)C)OC
InChI: InChI=1S/C33H50O8/c1-9-17(2)30(35)41-24-14-23(36-7)31(4)16-39-27-28(31)32(24,5)22(13-25(34)37-8)33(6)26-18(3)20(19-10-11-38-15-19)12-21(26)40-29(27)33/h17,19-24,27-29H,9-16H2,1-8H3/t17?,19?,20-,21-,22?,23-,24+,27-,28+,29-,31-,32+,33-/m1/s1
SMILES: CC[C@@H]1C=CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)OC(=O)CCCCC(=O)OC
InChI: InChI=1S/C26H42O7/c1-7-9-12-18(3)26(31-6)19(4)21(17-22-20(8-2)15-16-25(29)33-22)32-24(28)14-11-10-13-23(27)30-5/h7,9,15-16,18-22,26H,8,10-14,17H2,1-6H3/b9-7+/t18-,19-,20+,21+,22+,26+/m0/s1
SMILES: COC1=C(C(=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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)I)Br)Br)O
InChI: InChI=1S/C39H28Br2ClIN2O6/c1-51-29-18-27(32(40)33(41)34(29)46)31-24-14-15-25-30(37(49)44(35(25)47)22-12-10-21(43)11-13-22)26(24)17-28-36(48)45(23-9-5-8-20(42)16-23)38(50)39(28,31)19-6-3-2-4-7-19/h2-14,16,18,25-26,28,30-31,46H,15,17H2,1H3/t25-,26+,28-,30-,31+,39+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)N[C@@H]2CC[C@]3(CCN([C@H]3C2)C)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C26H35N3O3/c1-18(19-8-6-5-7-9-19)27-25(30)28-21-12-13-26(14-15-29(2)24(26)17-21)20-10-11-22(31-3)23(16-20)32-4/h5-11,16,18,21,24H,12-15,17H2,1-4H3,(H2,27,28,30)/t18-,21+,24-,26-/m0/s1
SMILES: CC(C)([C@@H]1[C@H](CN(C1=O)C)CS(=O)(=O)C2=CC=CC=C2)Br
InChI: InChI=1S/C15H20BrNO3S/c1-15(2,16)13-11(9-17(3)14(13)18)10-21(19,20)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13-/m1/s1
SMILES: C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)N(C)C(=O)NC4=CC(=CC=C4)Cl)C)C
InChI: InChI=1S/C22H25ClN4O3/c1-22-10-11-25(2)19(22)26(3)18-9-8-16(13-17(18)22)30-21(29)27(4)20(28)24-15-7-5-6-14(23)12-15/h5-9,12-13,19H,10-11H2,1-4H3,(H,24,28)/t19-,22+/m0/s1
SMILES: C[C@@H]1CCCCN1C(=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/c1-16-5-2-3-14-28(16)25(29)18-10-13-23-22(15-18)20-6-4-7-21(20)24(27-23)17-8-11-19(26)12-9-17/h4,6,8-13,15-16,20-21,24,27H,2-3,5,7,14H2,1H3/t16-,20+,21-,24+/m1/s1
SMILES: CCCNC(=O)C1=CC=CC=C1NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H25N3O4/c1-2-12-22-19(26)16-9-5-6-10-17(16)23-18(25)11-13-24-20(27)14-7-3-4-8-15(14)21(24)28/h3-6,9-10,14-15H,2,7-8,11-13H2,1H3,(H,22,26)(H,23,25)/t14-,15-/m1/s1
SMILES: CCC(CC1=C(C=C(C=C1I)I)I)C(=O)NCCCCOCCC(=O)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C45H68I3NO4/c1-7-31(25-36-40(47)27-33(46)28-41(36)48)43(51)49-22-8-9-23-52-24-19-42(50)53-34-17-20-44(5)32(26-34)13-14-35-38-16-15-37(30(4)12-10-11-29(2)3)45(38,6)21-18-39(35)44/h13,27-31,34-35,37-39H,7-12,14-26H2,1-6H3,(H,49,51)/t30-,31?,34+,35?,37-,38?,39?,44+,45-/m1/s1
SMILES: COC1=C(C(=C(C(=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=C(C=C6)Br)Br)Br)O
InChI: InChI=1S/C28H20Br4Cl2N2O6/c1-42-17-8-15(20(31)21(32)22(17)37)19-13-6-7-14-18(24(39)36(23(14)38)12-4-2-11(30)3-5-12)16(13)9-27(33)25(40)35(10-29)26(41)28(19,27)34/h2-6,8,14,16,18-19,37H,7,9-10H2,1H3/t14-,16+,18-,19+,27+,28-/m0/s1
SMILES: CCCCN1C(=O)N([C@@H]([C@@H](CN1S(=O)(=O)C2=CC(=CC=C2)Br)O)CC3=CC=CC=C3)CC4=CC(=CC=C4)/C(=N\O)/N
InChI: InChI=1S/C29H34BrN5O5S/c1-2-3-15-34-29(37)33(19-22-11-7-12-23(16-22)28(31)32-38)26(17-21-9-5-4-6-10-21)27(36)20-35(34)41(39,40)25-14-8-13-24(30)18-25/h4-14,16,18,26-27,36,38H,2-3,15,17,19-20H2,1H3,(H2,31,32)/t26-,27-/m1/s1
SMILES: C[C@]12[C@@H]3[C@@H]([C@H](O[C@H]3O)OC)[C@](C1(C)C)(N=N2)C
InChI: InChI=1S/C12H20N2O3/c1-10(2)11(3)6-7(12(10,4)14-13-11)9(16-5)17-8(6)15/h6-9,15H,1-5H3/t6-,7+,8-,9+,11+,12-/m1/s1
SMILES: B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)OC)[C@@H]3C[C@@H]3F)(F)F
InChI: InChI=1S/C14H9BF5NO4/c1-24-13-10(18)8(17)2-5-11(13)21(9-3-7(9)16)4-6(12(5)22)14(23)25-15(19)20/h2,4,7,9H,3H2,1H3/t7-,9+/m0/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=C(OC=C2)C)C(=O)O)C
InChI: InChI=1S/C16H20N2O5/c1-8-6-12(13(16(21)22)7-9(8)2)15(20)18-17-14(19)11-4-5-23-10(11)3/h4-5,12-13H,6-7H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t12-,13+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H](C(=O)C=C1O)C(=O)OCC)C2=CC=CC=C2
InChI: InChI=1S/C18H20O6/c1-3-23-17(21)15-12(19)10-13(20)16(18(22)24-4-2)14(15)11-8-6-5-7-9-11/h5-10,14-16,19H,3-4H2,1-2H3/t14-,15+,16+/m1/s1
SMILES: C[C@H]1[C@@H](CC=C(N1C(=O)OCC2=CC=CC=C2)C=C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C25H39NO3Si/c1-9-23-15-16-24(29-30(18(2)3,19(4)5)20(6)7)21(8)26(23)25(27)28-17-22-13-11-10-12-14-22/h9-15,18-21,24H,1,16-17H2,2-8H3/t21-,24+/m0/s1
SMILES: CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)(OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C46H46N5O8P/c1-47-44-43-45(49-31-48-44)51(32-50-43)42-27-40(59-60(52,56-28-33-13-7-4-8-14-33)57-29-34-15-9-5-10-16-34)41(58-42)30-55-46(35-17-11-6-12-18-35,36-19-23-38(53-2)24-20-36)37-21-25-39(54-3)26-22-37/h4-26,31-32,40-42H,27-30H2,1-3H3,(H,47,48,49)/t40-,41+,42+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC(=C(C=C3)OC)F
InChI: InChI=1S/C19H21FN2O5/c1-11-5-3-4-6-14(11)22-18(25)17(24)21(19(22)26)10-15(23)12-7-8-16(27-2)13(20)9-12/h7-9,11,14H,3-6,10H2,1-2H3/t11-,14+/m1/s1
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H]3C[C@H]2C=C3
InChI: InChI=1S/C16H20N2O3S/c1-18(2)22(20,21)14-7-5-13(6-8-14)17-16(19)15-10-11-3-4-12(15)9-11/h3-8,11-12,15H,9-10H2,1-2H3,(H,17,19)/t11-,12+,15+/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)N=C(N)N
InChI: InChI=1S/C13H25N3O10/c14-13(15)16-1-3-5(18)7(20)9(22)11(24-3)26-12-10(23)8(21)6(19)4(2-17)25-12/h3-12,17-23H,1-2H2,(H4,14,15,16)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CON)C
InChI: InChI=1S/C13H18N6O4/c1-13(2)22-8-6(3-20-15)21-12(9(8)23-13)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12H,3,15H2,1-2H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)O
InChI: InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-])ON2C5=CC=CC=C5
InChI: InChI=1S/C24H18N2O5/c27-22-19-20(15-7-3-1-4-8-15)26(18-9-5-2-6-10-18)31-21(19)23(28)25(22)17-13-11-16(12-14-17)24(29)30/h1-14,19-21H,(H,29,30)/p-1/t19-,20-,21+/m1/s1
SMILES: COCCC(=O)N(C[C@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C26H36N2O9/c1-34-9-5-21(31)28(13-16-4-3-8-36-16)19-12-18(26(33)27-6-7-29)22-17-10-15(14-30)11-20(35-2)24(17)37-25(22)23(19)32/h10-12,16,19,22-23,25,29-30,32H,3-9,13-14H2,1-2H3,(H,27,33)/t16-,19-,22+,23+,25+/m1/s1
SMILES: C1CC[C@H]([C@H](C1)[NH3+])N=CC2=C(N(C(=O)NC2=O)C3=CC=CC=C3Cl)O
InChI: InChI=1S/C17H19ClN4O3/c18-11-5-1-4-8-14(11)22-16(24)10(15(23)21-17(22)25)9-20-13-7-3-2-6-12(13)19/h1,4-5,8-9,12-13,24H,2-3,6-7,19H2,(H,21,23,25)/p+1/t12-,13+/m0/s1
SMILES: C1[C@H]([C@H](C[S+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)O)O
InChI: InChI=1S/C8H16O8S2/c9-1-8(16-18(13,14)15)7(12)4-17-2-5(10)6(11)3-17/h5-12H,1-4H2/t5-,6+,7-,8+,17?/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC
InChI: InChI=1S/C22H30N4O4/c1-16-6-3-4-9-22(16)20(28)26(21(29)23-22)15-19(27)25-12-10-24(11-13-25)17-7-5-8-18(14-17)30-2/h5,7-8,14,16H,3-4,6,9-13,15H2,1-2H3,(H,23,29)/t16-,22-/m1/s1
SMILES: CN1[C@@H]2[C@H](COC1C3=CC(=CC=C3)OC)COC4=C2C5=CC=CC=C5C=C4
InChI: InChI=1S/C23H23NO3/c1-24-22-17(14-27-23(24)16-7-5-8-18(12-16)25-2)13-26-20-11-10-15-6-3-4-9-19(15)21(20)22/h3-12,17,22-23H,13-14H2,1-2H3/t17-,22+,23?/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)[C@H](C2=CC=CC=C2)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H33NO4Si/c1-14(26-27(6,7)21(2,3)4)18-16(22-20(18)24)13-17(23)19(25-5)15-11-9-8-10-12-15/h8-12,14,16,18-19H,13H2,1-7H3,(H,22,24)/t14-,16-,18-,19+/m1/s1
SMILES: B1(O[C@H]([C@@H](O1)C2(CCCC2)OC)C3(CCCC3)OC)CCC(=O)CC
InChI: InChI=1S/C19H33BO5/c1-4-15(21)9-14-20-24-16(18(22-2)10-5-6-11-18)17(25-20)19(23-3)12-7-8-13-19/h16-17H,4-14H2,1-3H3/t16-,17-/m1/s1
SMILES: C[C@H]1CC(=O)C=C([C@@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
InChI: InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m0/s1
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI: InChI=1S/C18H25NO.C17H23NO3/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h6-7,12,15,17H,3-5,8-11H2,1-2H3;2-6,13-16,19H,7-11H2,1H3/t15-,17+,18+;13-,14+,15?,16?/m1./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)NC45CC6CC(C4)CC(C6)C5)CSC7=NN=CN7C
InChI: InChI=1S/C34H43N5O4S/c1-21-29(19-44-33-38-36-20-39(33)2)42-31(43-30(21)27-7-5-23(18-40)6-8-27)28-9-3-22(4-10-28)17-35-32(41)37-34-14-24-11-25(15-34)13-26(12-24)16-34/h3-10,20-21,24-26,29-31,40H,11-19H2,1-2H3,(H2,35,37,41)/t21-,24?,25?,26?,29+,30+,31+,34?/m0/s1
SMILES: C/C(=C\CO[Si](C)(C)C(C)(C)C)/C#C/C(=C\1/[C@@H]([C@@H](/C1=C\C2=CC=CC=C2)O)O)/[Si](C)(C)C
InChI: InChI=1S/C27H40O3Si2/c1-20(17-18-30-32(8,9)27(2,3)4)15-16-23(31(5,6)7)24-22(25(28)26(24)29)19-21-13-11-10-12-14-21/h10-14,17,19,25-26,28-29H,18H2,1-9H3/b20-17+,22-19-,24-23-/t25-,26+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(C)CC3=CC=C(C=C3)SC
InChI: InChI=1S/C20H27N3O3S/c1-14-6-4-5-11-20(14)18(25)23(19(26)21-20)13-17(24)22(2)12-15-7-9-16(27-3)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,26)/t14-,20-/m0/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC(=CC=C4)OCC5=CC=CC=C5)C#N
InChI: InChI=1S/C23H20N4O3/c1-15-11-29-23(30-15)22(14-25)19(21(22,13-24)20(26)27-23)17-8-5-9-18(10-17)28-12-16-6-3-2-4-7-16/h2-10,15,19H,11-12H2,1H3,(H2,26,27)/t15-,19-,21-,22-,23-/m1/s1
SMILES: C[C@@H]1[C@H]([NH2+][C@@H](CC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H23NO3/c1-13-19(22)12-18(14-4-8-16(23-2)9-5-14)21-20(13)15-6-10-17(24-3)11-7-15/h4-11,13,18,20-21H,12H2,1-3H3/p+1/t13-,18-,20-/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]
InChI: InChI=1S/C16H16N2O4/c1-9-6-7-11(8-13(9)18(21)22)17-15(19)12-5-3-4-10(2)14(12)16(17)20/h3-4,6-8,10,12,14H,5H2,1-2H3/t10-,12-,14-/m0/s1
SMILES: CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H30N2O5/c1-12(2)23-13(3)10-18(14(23)4)19(25)11-29-22(28)15(5)24-20(26)16-8-6-7-9-17(16)21(24)27/h10,12,15-17H,6-9,11H2,1-5H3/t15-,16-,17+/m0/s1
SMILES: C/C(=C\C1=CC(=C(C=C1)O[C@H]2C[C@@H]([C@H](O2)/C(=N\OCC3=C(C=C(C=C3)F)F)/C)O)O)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O
InChI: InChI=1S/C30H34F2N2O11/c1-13(30(40)33-23-24(37)26(39)29-28(25(23)38)41-12-42-29)7-15-3-6-21(19(35)8-15)44-22-10-20(36)27(45-22)14(2)34-43-11-16-4-5-17(31)9-18(16)32/h3-9,20,22-29,35-39H,10-12H2,1-2H3,(H,33,40)/b13-7+,34-14-/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)CO)OCCC4=CC(=C(C=C4)OC)OC)O)O)O)O
InChI: InChI=1S/C33H44O15/c1-17-26(36)27(37)28(38)33(45-17)48-31-29(39)32(44-13-12-19-7-10-21(41-3)23(15-19)43-5)46-24(16-34)30(31)47-25(35)11-8-18-6-9-20(40-2)22(14-18)42-4/h6-11,14-15,17,24,26-34,36-39H,12-13,16H2,1-5H3/b11-8+/t17-,24+,26-,27+,28+,29+,30+,31+,32+,33-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@](C1=CC(=O)C=C2)(CC(C(=O)C3(C)C)C#N)C
InChI: InChI=1S/C19H23NO2/c1-17(2)14-6-8-18(3)7-5-13(21)9-15(18)19(14,4)10-12(11-20)16(17)22/h5,7,9,12,14H,6,8,10H2,1-4H3/t12?,14-,18+,19-/m1/s1
SMILES: C1[C@@H](N(C(=O)O1)[C@H]2[C@H]3[C@@H](C4=CC=CC=C4N3C2=O)CC5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C26H22N2O3/c29-25-24(28-22(16-31-26(28)30)18-11-5-2-6-12-18)23-20(15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)27(23)25/h1-14,20,22-24H,15-16H2/t20-,22-,23-,24+/m1/s1
SMILES: CC1OCC2C(O1)C(C(C(O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)[O-])O)O)O)OC)O)O
InChI: InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/p-1/t11?,15-,20?,21+,22-,23-,24-,25?,26+,27?,28+,30?,31-,34?,35+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@]23[C@@](C[C@]2(C(=O)C(=O)N3CCSC4=CC=CC=C4)C(=O)OC)(C=C)O[Si](C)(C)C)OC
InChI: InChI=1S/C29H35NO7SSi/c1-8-27(37-39(5,6)7)19-28(26(33)36-4)24(31)25(32)30(16-17-38-21-12-10-9-11-13-21)29(27,28)20-14-15-22(34-2)23(18-20)35-3/h8-15,18H,1,16-17,19H2,2-7H3/t27-,28-,29-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1CC[C@@]3(C2CC[C@H]4[C@]3([C@H]([C@H](C5[C@@]4(CC[C@@H](C5=C)O)C)O)OC(=O)C6=CC=C(C=C6)O)C)C)C
InChI: InChI=1S/C36H50O5/c1-20(2)24-14-17-33(4)25(24)15-19-35(6)27(33)12-13-28-34(5)18-16-26(38)21(3)29(34)30(39)31(36(28,35)7)41-32(40)22-8-10-23(37)11-9-22/h8-11,24-31,37-39H,1,3,12-19H2,2,4-7H3/t24-,25?,26-,27?,28+,29?,30-,31-,33-,34+,35+,36-/m0/s1
SMILES: C[C@]12CC(C3=CC=CC=C3[C@]1(N(C(=O)O2)CCC4=CC(=C(C=C4)OC)OC)C)(C)C
InChI: InChI=1S/C25H31NO4/c1-23(2)16-24(3)25(4,19-10-8-7-9-18(19)23)26(22(27)30-24)14-13-17-11-12-20(28-5)21(15-17)29-6/h7-12,15H,13-14,16H2,1-6H3/t24-,25+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N(C(=O)C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H18ClNO4/c1-3-26-20(25)16-17(13-6-8-14(21)9-7-13)22(19(24)18(16)23)15-10-4-12(2)5-11-15/h4-11,16-17H,3H2,1-2H3/t16-,17-/m1/s1
SMILES: C/C(=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H]([C@]3(C)C(=O)O)OC(=O)C)C)C)/C=C/C=C(\C)/C(/C=C/C(C)(C)O)OC
InChI: InChI=1S/C33H48O7/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37)/b12-10+,16-13+,20-11+,28-21+/t24?,25-,26+,27-,31+,32+,33-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NCC(C)C
InChI: InChI=1S/C17H26N4O5/c1-10(2)8-18-16(25)19-13(22)9-20-14(23)15(24)21(17(20)26)12-7-5-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H2,18,19,22,25)/t11-,12-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC4=CC=CC=C4C=C3)N)SC1)C(=O)O
InChI: InChI=1S/C20H19N3O4S/c1-10-9-28-19-15(18(25)23(19)16(10)20(26)27)22-17(24)14(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,19H,9,21H2,1H3,(H,22,24)(H,26,27)/t14-,15-,19-/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](CO)O)[C@@H](CNC(=O)OC(C)(C)C)N=[N+]=[N-])C
InChI: InChI=1S/C14H26N4O6/c1-13(2,3)24-12(21)16-6-8(17-18-15)10-11(9(20)7-19)23-14(4,5)22-10/h8-11,19-20H,6-7H2,1-5H3,(H,16,21)/t8-,9-,10-,11-/m1/s1
SMILES: CC1=CC(=C(C=C1C(=O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=CC(=NC6=NC(=NN56)C(=O)O)C)C(=O)O)OC(=O)CCl)OC(=O)CCl
InChI: InChI=1S/C32H25Cl2N9O12S3/c1-11-3-16(53-19(44)6-33)17(54-20(45)7-34)5-14(11)30(52)55-41-21(15-10-58-31(35)37-15)25(46)38-22-26(47)42-23(28(48)49)13(9-57-27(22)42)8-56-18-4-12(2)36-32-39-24(29(50)51)40-43(18)32/h3-5,10,22,27H,6-9H2,1-2H3,(H2,35,37)(H,38,46)(H,48,49)(H,50,51)/b41-21-/t22-,27-/m1/s1