EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC5=C(C=C4Br)OCO5
InChI: InChI=1S/C20H16BrNO4/c21-15-8-18-17(25-9-26-18)7-14(15)19-12-3-1-2-11(12)13-6-10(20(23)24)4-5-16(13)22-19/h1-2,4-8,11-12,19,22H,3,9H2,(H,23,24)/t11-,12-,19-/m1/s1
SMILES: CC(C)(C)[Si]1(O[C@H]2C[C@@H]([C@H](C2)O1)C=O)C(C)(C)C
InChI: InChI=1S/C14H26O3Si/c1-13(2,3)18(14(4,5)6)16-11-7-10(9-15)12(8-11)17-18/h9-12H,7-8H2,1-6H3/t10-,11+,12+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=CC=C7F
InChI: InChI=1S/C35H26FNO5/c1-41-21-16-17-28(42-2)25(19-21)30-31(32(38)24-12-6-7-13-26(24)36)37-27-14-8-3-9-20(27)15-18-29(37)35(30)33(39)22-10-4-5-11-23(22)34(35)40/h3-19,29-31H,1-2H3/t29-,30-,31-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](C=C([C@H]([C@H]2OS(=O)(=O)[O-])OS(=O)(=O)[O-])C3=CC4=CC=CC=C4C5=CC=CC=C53)C6=CNC=C6.[Na+].[Na+]
InChI: InChI=1S/C31H27NO9S2.2Na/c33-42(34,35)40-30-28(27-16-21-10-4-5-11-23(21)24-12-6-7-13-25(24)27)17-26(22-14-15-32-18-22)29(31(30)41-43(36,37)38)39-19-20-8-2-1-3-9-20;;/h1-18,26,29-32H,19H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/t26-,29-,30-,31+;;/m1../s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7.Cl
InChI: InChI=1S/C29H25N3O5.ClH/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18;/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3;1H/t20-,21+,23-,26-,29-;/m0./s1
SMILES: CCCCCC(C=C[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC
InChI: InChI=1S/C23H44O5Si/c1-8-9-10-11-21(27-18-26-15-14-25-5)13-12-19-16-20(24)17-22(19)28-29(6,7)23(2,3)4/h12-13,19,21-22H,8-11,14-18H2,1-7H3/t19-,21?,22-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCC[NH+]2CC(=O)N[C@H]3CCCC4=CC=CC=C34
InChI: InChI=1S/C21H30N2O/c24-21(15-23-14-6-10-17-8-2-4-13-20(17)23)22-19-12-5-9-16-7-1-3-11-18(16)19/h1,3,7,11,17,19-20H,2,4-6,8-10,12-15H2,(H,22,24)/p+1/t17-,19+,20+/m1/s1
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C(=O)N2
InChI: InChI=1S/C22H18ClN3O5/c23-11-5-7-12(8-6-11)26-19(29)17-15(9-10-16(27)28)25-22(18(17)20(26)30)13-3-1-2-4-14(13)24-21(22)31/h1-8,15,17-18,25H,9-10H2,(H,24,31)(H,27,28)/t15-,17+,18-,22-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)CSC5=NN=C(S5)C
InChI: InChI=1S/C28H29N3O5S3/c1-18-25(17-37-28-30-29-19(2)38-28)35-27(36-26(18)21-13-11-20(16-32)12-14-21)22-7-6-8-23(15-22)31-39(33,34)24-9-4-3-5-10-24/h3-15,18,25-27,31-32H,16-17H2,1-2H3/t18-,25+,26+,27+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C(=O)C[C@H](/C=C/C3=CC=CC=C3)O)O
InChI: InChI=1S/C21H28O3/c1-19(2)16-11-12-20(19,3)21(24,14-16)18(23)13-17(22)10-9-15-7-5-4-6-8-15/h4-10,16-17,22,24H,11-14H2,1-3H3/b10-9+/t16-,17+,20-,21+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)N(CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H17Cl2N3O6/c25-15-5-8-17(18(26)10-15)22(31)27(11-19(30)12-3-6-16(7-4-12)29(34)35)28-23(32)20-13-1-2-14(9-13)21(20)24(28)33/h1-8,10,13-14,20-21H,9,11H2/t13-,14+,20-,21-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl)N8N1C(=O)N(C8=O)C9=CC=CC=C9
InChI: InChI=1S/C43H33ClN4O6/c44-29-15-10-18-31(23-29)46-39(50)35-25-36-33(21-22-45-41(52)47(42(53)48(36)45)30-16-8-3-9-17-30)38(43(35,40(46)51)28-13-6-2-7-14-28)34-20-19-32(24-37(34)49)54-26-27-11-4-1-5-12-27/h1-21,23-24,35-36,38,49H,22,25-26H2/t35-,36+,38+,43+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3CC[C@@H](C4)OC(=O)C)C)[C@@H](CC(=O)C(C)C)O
InChI: InChI=1S/C28H40O4/c1-16(2)26(30)15-27(31)17(3)24-10-11-25-23-8-6-19-14-20(32-18(4)29)7-9-21(19)22(23)12-13-28(24,25)5/h6,8,16-17,20,24-25,27,31H,7,9-15H2,1-5H3/t17-,20-,24+,25-,27+,28+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)SC5=CC=CC=C5
InChI: InChI=1S/C34H36O5S/c1-35-34-33(40-29-20-12-5-13-21-29)32(38-24-28-18-10-4-11-19-28)31(37-23-27-16-8-3-9-17-27)30(39-34)25-36-22-26-14-6-2-7-15-26/h2-21,30-34H,22-25H2,1H3/t30-,31-,32-,33+,34+/m1/s1
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1C(=O)[C@H]2SC3=CC=CC=C3
InChI: InChI=1S/C20H30O2SSi/c1-20(2,3)24(4,5)22-17-13-14-11-12-16(17)18(21)19(14)23-15-9-7-6-8-10-15/h6-10,14,16-17,19H,11-13H2,1-5H3/t14-,16+,17-,19-/m0/s1
SMILES: CCCCC[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/t15-,16+,17+,19+/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](C3(CCCCC3)C)NC(=O)N[C@H](CN(C)C4=C(C(=O)C4=O)C5(CC5)C)C(C)(C)C
InChI: InChI=1S/C42H64N6O7/c1-11-16-25(31(49)36(53)43-21-12-2)44-35(52)30-27-24(40(27,6)7)22-48(30)37(54)34(42(9)17-14-13-15-18-42)46-38(55)45-26(39(3,4)5)23-47(10)29-28(32(50)33(29)51)41(8)19-20-41/h12,24-27,30,34H,2,11,13-23H2,1,3-10H3,(H,43,53)(H,44,52)(H2,45,46,55)/t24-,25?,26+,27-,30-,34+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2NC(=O)CSC3=NN=C(O3)COC4=CC=CC=C4
InChI: InChI=1S/C18H21N3O3S/c22-16(19-15-9-12-6-7-13(15)8-12)11-25-18-21-20-17(24-18)10-23-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,19,22)/t12-,13+,15+/m0/s1
SMILES: C1CCC2=NN([C@@H]([C@@H]2C1)NNC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H22N4O2/c26-20(15-9-3-1-4-10-15)23-22-19-17-13-7-8-14-18(17)24-25(19)21(27)16-11-5-2-6-12-16/h1-6,9-12,17,19,22H,7-8,13-14H2,(H,23,26)/t17-,19+/m1/s1
SMILES: C[C@H]1[C@H]2C/C=C/[C@H]3[C@@H]([C@H]4C[C@@H](O3)/C(=C\C=C\C=C/CC(=O)O[C@@H]5C=C[C@H](C/C=C/CC/C=C/[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)/O4)C
InChI: InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,25-27,30,32-38,40-43,46-49,53H,5,7,14-15,17-18,21,23-24,28-29H2,1-4H3,(H,50,51)/b10-6+,12-8+,13-9-,19-11+,22-16+,31-27+,39-20+/t30-,32-,33+,34+,35+,36+,37-,38+,40-,41-,42-,43-,46+,47+/m1/s1
SMILES: CC(=O)C[C@@H]1[C@@H](CC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C25H29F3N2O3/c1-16(31)13-22-21(17-5-8-20(33-4)9-6-17)15-18-14-19(25(26,27)28)7-10-23(18)30(24(22)32)12-11-29(2)3/h5-10,14,21-22H,11-13,15H2,1-4H3/t21-,22+/m0/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-/m1/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2(C(CC[C@@]13C2C(=O)CC3)C)C)OC(=O)CN4C=CC(=N4)C)(C)C=C)O
InChI: InChI=1S/C26H38N2O4/c1-7-24(5)14-20(32-21(30)15-28-13-10-17(3)27-28)25(6)16(2)8-11-26(18(4)23(24)31)12-9-19(29)22(25)26/h7,10,13,16,18,20,22-23,31H,1,8-9,11-12,14-15H2,2-6H3/t16?,18-,20+,22?,23-,24+,25-,26-/m0/s1
SMILES: CCCCCCCCCCCCC/C=C/[C@@H]1[C@@H](NC(=O)O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C35H53NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-28-33-32(36-34(37)39-33)29-38-40(35(2,3)4,30-24-19-17-20-25-30)31-26-21-18-22-27-31/h17-28,32-33H,5-16,29H2,1-4H3,(H,36,37)/b28-23+/t32-,33+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3[C@H](CC4=C3C=CC(=C4)Cl)C(=O)OC)O)C(OC)OC
InChI: InChI=1S/C23H25ClN2O8/c1-23(22(32-3)33-4)20(27)19(15-11-14(26(29)30)6-8-18(15)34-23)25-16-7-5-13(24)9-12(16)10-17(25)21(28)31-2/h5-9,11,17,19-20,22,27H,10H2,1-4H3/t17-,19+,20-,23+/m1/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
SMILES: C[C@]12[C@H]3C=NN4C([C@H]3[C@](C1(C)C)(N=N2)C)N5C([C@@H]6[C@H](C=N5)[C@]7(C([C@@]6(N=N7)C)(C)C)C)N8C4[C@@H]9[C@H](C=N8)[C@]1(C([C@@]9(N=N1)C)(C)C)C
InChI: InChI=1S/C33H48N12/c1-25(2)28(7)16-13-34-43-22(19(16)31(25,10)40-37-28)44-24(21-17(14-35-44)29(8)26(3,4)33(21,12)42-38-29)45-23(43)20-18(15-36-45)30(9)27(5,6)32(20,11)41-39-30/h13-24H,1-12H3/t16-,17-,18-,19-,20-,21-,22?,23?,24?,28-,29-,30-,31+,32+,33+/m0/s1
SMILES: CC1=CC=C(S1)[C@@H]2[C@@H]3CCCC=C3[C@H](C(=N)C2(C#N)C#N)C#N
InChI: InChI=1S/C18H16N4S/c1-11-6-7-15(23-11)16-13-5-3-2-4-12(13)14(8-19)17(22)18(16,9-20)10-21/h4,6-7,13-14,16,22H,2-3,5H2,1H3/t13-,14-,16+/m1/s1
SMILES: CC[C@@]1(CN(CC[C@@H]1C2(SCCCS2)C3=CC4=CC=CC=C4N3C)C)O
InChI: InChI=1S/C21H30N2OS2/c1-4-20(24)15-22(2)11-10-18(20)21(25-12-7-13-26-21)19-14-16-8-5-6-9-17(16)23(19)3/h5-6,8-9,14,18,24H,4,7,10-13,15H2,1-3H3/t18-,20-/m0/s1
SMILES: CC(C)OC1=CC2=C(C=C1)O[C@@H]([C@H](C2O)C(=O)OC)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H22O7/c1-11(2)27-13-5-7-15-14(9-13)19(22)18(21(23)24-3)20(28-15)12-4-6-16-17(8-12)26-10-25-16/h4-9,11,18-20,22H,10H2,1-3H3/t18-,19?,20+/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NCCC2=CSC(=N2)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C19H20N2O3S/c22-17(15-8-4-5-9-16(15)19(23)24)20-11-10-14-12-25-18(21-14)13-6-2-1-3-7-13/h1-7,12,15-16H,8-11H2,(H,20,22)(H,23,24)/t15-,16+/m1/s1
SMILES: C[C@H](CCN1CCSCC1)[C@H]2CC=C3[C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C
InChI: InChI=1S/C29H47NOS/c1-20(12-15-30-16-18-32-19-17-30)22-7-8-23-21-6-9-25-27(2,3)26(31)11-14-29(25,5)24(21)10-13-28(22,23)4/h8,20,22,25-26,31H,6-7,9-19H2,1-5H3/t20-,22-,25+,26+,28-,29-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C([C@@H](CC[C@]34C)O)SC5=CC=CC=C5)C
InChI: InChI=1S/C33H50OS/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(35-24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,22-23,25-28,30,34H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,30-,32-,33-/m1/s1
SMILES: C1C[C@@H]([C@H]([C@@H]1CN2C=NC3=C(N=CN=C32)N)CO)CO
InChI: InChI=1S/C13H19N5O2/c14-12-11-13(16-6-15-12)18(7-17-11)3-8-1-2-9(4-19)10(8)5-20/h6-10,19-20H,1-5H2,(H2,14,15,16)/t8-,9+,10-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)CC(=N)N
InChI: InChI=1S/C28H30N4O3/c29-22(30)10-15-3-5-19-17(9-15)18-12-28(34)21-11-16-4-6-20(33)25-23(16)27(28,26(35-25)24(18)31-19)7-8-32(21)13-14-1-2-14/h3-6,9,14,21,26,31,33-34H,1-2,7-8,10-13H2,(H3,29,30)/t21-,26+,27+,28-/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](CCC2=O)C(=O)NCC3=CC=C(C=C3)Cl)C4=CC=CS4
InChI: InChI=1S/C24H23ClN2O2S/c1-16-4-10-19(11-5-16)27-22(28)13-12-20(23(27)21-3-2-14-30-21)24(29)26-15-17-6-8-18(25)9-7-17/h2-11,14,20,23H,12-13,15H2,1H3,(H,26,29)/t20-,23-/m0/s1
SMILES: COC1=CC(=CC(=C1O)[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)NC4=O)Br
InChI: InChI=1S/C33H26BrClFN3O6/c1-45-25-13-16(34)12-23(28(25)40)27-20-10-11-21-26(30(42)37-29(21)41)22(20)14-24-31(43)39(38-19-8-6-18(36)7-9-19)32(44)33(24,27)15-2-4-17(35)5-3-15/h2-10,12-13,21-22,24,26-27,38,40H,11,14H2,1H3,(H,37,41,42)/t21-,22+,24-,26-,27+,33+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC5=C(C=C4)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C26H28O12/c1-32-16-6-12(3-5-15(16)36-26-22(30)21(29)20(28)18(8-27)37-26)24-19-13(9-33-24)23(38-25(19)31)11-2-4-14-17(7-11)35-10-34-14/h2-7,13,18-24,26-30H,8-10H2,1H3/t13-,18-,19-,20-,21+,22-,23+,24+,26-/m1/s1
SMILES: C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@H](N(O[C@@H]4C3=O)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-])C#N
InChI: InChI=1S/C26H19ClN4O5S/c27-15-7-11-16(12-8-15)30-22(14-5-9-17(10-6-14)31(34)35)21-23(36-30)25(33)29(24(21)32)26-19(13-28)18-3-1-2-4-20(18)37-26/h5-12,21-23H,1-4H2/t21-,22-,23+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CN=CC=C4)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C25H29NO3/c1-25-12-11-20-19-8-6-18(28-2)14-16(19)5-7-21(20)22(25)9-10-23(25)29-24(27)17-4-3-13-26-15-17/h3-4,6,8,13-15,20-23H,5,7,9-12H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18+,19-/m1/s1
SMILES: C1[C@H](O[C@H]([C@@H]1F)N2C=NC3=C(N=CN=C32)N)COP4(=O)OCC5=CC=CC=C5O4
InChI: InChI=1S/C17H17FN5O5P/c18-12-5-11(7-26-29(24)25-6-10-3-1-2-4-13(10)28-29)27-17(12)23-9-22-14-15(19)20-8-21-16(14)23/h1-4,8-9,11-12,17H,5-7H2,(H2,19,20,21)/t11-,12+,17+,29?/m0/s1
SMILES: C[C@@H]1[C@H](CC[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=C[C@]5([C@@]4(C(=O)C[C@](C5)(C)O)O)O)O)O
InChI: InChI=1S/C25H26O9/c1-11-15(26)5-6-16(34-11)12-3-4-13-18(20(12)28)21(29)14-7-8-24(32)10-23(2,31)9-17(27)25(24,33)19(14)22(13)30/h3-4,7-8,11,15-16,26,28,31-33H,5-6,9-10H2,1-2H3/t11-,15+,16-,23+,24+,25+/m1/s1
SMILES: CN1CC[C@@H]([C@H](C1)CS(=O)CCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H26ClNO3S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-28(26)14-13-27-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3/t19-,21-,28?/m1/s1
SMILES: CC(=O)OC[C@@H]1C(=CC(=O)CC1(C)C)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36O13/c1-13(27)34-11-20-18(8-19(32)9-26(20,6)7)10-33-12-21-22(35-14(2)28)23(36-15(3)29)24(37-16(4)30)25(39-21)38-17(5)31/h8,20-25H,9-12H2,1-7H3/t20-,21-,22-,23+,24-,25-/m1/s1
SMILES: CC[C@H]1[C@H]([C@H](C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)CC)NC4=CC=CC=C4)C
InChI: InChI=1S/C27H30N2O/c1-4-20-15-17-21(18-16-20)27(30)29-24(5-2)19(3)26(23-13-9-10-14-25(23)29)28-22-11-7-6-8-12-22/h6-19,24,26,28H,4-5H2,1-3H3/t19-,24+,26-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](OC2(O1)CCCCC2)C(=O)O[C@@H]3[C@@H]([C@@H]([C@H]4[C@@H]3OC5(O4)CCCCC5)OCOC)NC(=O)C
InChI: InChI=1S/C27H41NO11/c1-4-33-24(30)22-23(39-27(38-22)13-9-6-10-14-27)25(31)35-19-17(28-16(2)29)18(34-15-32-3)20-21(19)37-26(36-20)11-7-5-8-12-26/h17-23H,4-15H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,21-,22-,23-/m1/s1
SMILES: C[C@H]1CCO[C@@H](O1)[C@@H]2[C@@H](CC(=C[C@@H]2C)C)C
InChI: InChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3/t10-,11+,12-,13-,14-/m0/s1
SMILES: [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=S)(O)O)O)OP(=O)(O)O)O
InChI: InChI=1S/C6H16O17P4S/c7-1-3(20-24(9,10)11)2(8)5(23-27(18,19)28)6(22-26(15,16)17)4(1)21-25(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,28)/t1-,2-,3-,4+,5-,6-/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCC[C@H]6COC
InChI: InChI=1S/C37H43N3O8/c1-24-32(20-39-18-6-9-30(39)23-45-2)47-36(48-34(24)27-12-10-25(21-41)11-13-27)28-14-16-29(17-15-28)40-33(42)19-31(35(40)43)38-37(44)46-22-26-7-4-3-5-8-26/h3-5,7-8,10-17,24,30-32,34,36,41H,6,9,18-23H2,1-2H3,(H,38,44)/t24-,30+,31?,32+,34+,36+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@](O3)(C[C@@]2(OO1)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C20H20O4/c1-18(2)21-17-16-19(22-16,14-9-5-3-6-10-14)13-20(17,24-23-18)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3/t16-,17-,19-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)N2C(=O)SSC2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H19NO11S2/c1-6(18)24-5-10-12(25-7(2)19)13(26-8(3)20)11(14(28-10)27-9(4)21)17-15(22)29-30-16(17)23/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)NC(C#N)C3=CC=C(C=C3)SC)/C)[C@H](C)O
InChI: InChI=1S/C26H36N2O6S/c1-14(10-23(30)28-20(12-27)17-5-7-19(35-4)8-6-17)9-21-25(32)24(31)18(13-33-21)11-22-26(34-22)15(2)16(3)29/h5-8,10,15-16,18,20-22,24-26,29,31-32H,9,11,13H2,1-4H3,(H,28,30)/b14-10+/t15-,16-,18-,20?,21-,22-,24+,25-,26-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C24H28N2O3/c27-23(21-17-8-9-18(14-17)22(21)24(28)29)26-12-10-25(11-13-26)15-19-6-3-5-16-4-1-2-7-20(16)19/h1-7,17-18,21-22H,8-15H2,(H,28,29)/t17-,18+,21-,22+/m1/s1
SMILES: CC(C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3OC)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C19H24N2O5/c1-10(2)19(18(24)26-5)14-13(16(22)21(3)17(14)23)15(20-19)11-8-6-7-9-12(11)25-4/h6-10,13-15,20H,1-5H3/p+1/t13-,14+,15-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C)[C@@]([NH2+]2)(C)C(=O)OC
InChI: InChI=1S/C17H20N2O4/c1-9-5-7-10(8-6-9)13-11-12(15(21)19(3)14(11)20)17(2,18-13)16(22)23-4/h5-8,11-13,18H,1-4H3/p+1/t11-,12-,13+,17-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)OC)O)OC)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C42H35Cl2F3N4O7/c1-4-20-5-11-25(12-6-20)50-37(53)27-14-13-26-28(33(27)39(50)55)18-29-38(54)51(49-36-30(44)17-23(19-48-36)42(45,46)47)40(56)41(29,22-7-9-24(43)10-8-22)34(26)21-15-31(57-2)35(52)32(16-21)58-3/h5-13,15-17,19,27-29,33-34,52H,4,14,18H2,1-3H3,(H,48,49)/t27-,28+,29-,33-,34-,41+/m0/s1
SMILES: C=CCOC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C54H58N4O13/c1-3-27-66-42-21-23-47-45(31-42)52-43(10-6-8-26-60)39(9-5-7-25-59)30-44-46(55-70-34-37-13-19-41(20-14-37)58(64)65)32-50(54(71-47,53(44)52)69-28-4-2)56(33-38-15-22-48-49(29-38)68-35-67-48)51(61)24-16-36-11-17-40(18-12-36)57(62)63/h3-4,11-24,29-31,39,43,50,52-53,59-60H,1-2,5-10,25-28,32-35H2/t39-,43+,50-,52+,53+,54+/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]([C@H]4CC=C)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C36H66OSi/c1-12-14-28-31-18-17-27-30-20-19-29(26(4)16-13-15-25(2)3)35(30,8)23-21-32(27)36(31,9)24-22-33(28)37-38(10,11)34(5,6)7/h12,25-33H,1,13-24H2,2-11H3/t26-,27+,28+,29-,30+,31+,32+,33-,35-,36+/m1/s1
SMILES: CC(=O)N[C@H]1[C@@H](C[C@@]2(C(=O)N[C@@H]3[C@@H](O2)[C@H]([C@H](O[C@H]3O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)OCC[Si](C)(C)C)CO)O)O[C@@H]1[C@@H]([C@@H](CO)O)O)O
InChI: InChI=1S/C27H48N2O16Si/c1-11(32)28-16-12(33)7-27(44-22(16)18(35)13(34)8-30)26(39)29-17-23(45-27)20(37)14(9-31)42-24(17)43-15-10-41-25(21(38)19(15)36)40-5-6-46(2,3)4/h12-25,30-31,33-38H,5-10H2,1-4H3,(H,28,32)(H,29,39)/t12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,27-/m1/s1
SMILES: CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C15H16N2O5S2/c1-9(18)5-23-15-16-11-6-24(19,20)7-12(11)17(15)10-2-3-13-14(4-10)22-8-21-13/h2-4,11-12H,5-8H2,1H3/t11-,12-/m1/s1
SMILES: CC1(CCC1)[C@@H](C(=O)N2[C@@H](C[C@H]3[C@@H]2C3)C#N)N
InChI: InChI=1S/C13H19N3O/c1-13(3-2-4-13)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,2-6,15H2,1H3/t8-,9+,10+,11-/m1/s1
SMILES: CN(C)C(=O)C1=CC2=C(N1CC3=CC(=C(C=C3)O)OC)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=C(C=C6)OC)C(=O)OC
InChI: InChI=1S/C37H39N3O7/c1-38(2)35(43)30-19-28-29(39(30)21-24-13-16-31(41)32(17-24)46-4)18-26-22-40(34(42)25-9-7-6-8-10-25)37(33(26)28,36(44)47-5)20-23-11-14-27(45-3)15-12-23/h6-17,19,26,33,41H,18,20-22H2,1-5H3/t26-,33+,37+/m0/s1
SMILES: C[C@@H]1[C@H](O[C@@H]2[C@H]1[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4C[C@H]3OC(=O)C6=CC=CC=C6)C)OC(=O)C)C)CC[C@@H](C)COC(=O)C
InChI: InChI=1S/C38H54O7/c1-22(21-42-24(3)39)12-15-32-23(2)35-33(44-32)19-31-29-14-13-27-18-28(43-25(4)40)16-17-37(27,5)30(29)20-34(38(31,35)6)45-36(41)26-10-8-7-9-11-26/h7-11,22-23,27-35H,12-21H2,1-6H3/t22-,23-,27+,28+,29-,30+,31+,32-,33+,34-,35+,37+,38-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC)CCCO
InChI: InChI=1S/C26H32N4O8/c1-3-37-26-20(5-4-14-31)21(17-6-8-18(9-7-17)25(33)36-2)15-22(38-26)24(32)28-13-12-27-23-11-10-19(16-29-23)30(34)35/h6-11,15-16,20-21,26,31H,3-5,12-14H2,1-2H3,(H,27,29)(H,28,32)/t20-,21-,26-/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@@H](C3=C(NC2=C1)N(C(=O)N(C3=O)C)C)C4=CN=CC=C4)C
InChI: InChI=1S/C20H22N4O3/c1-20(2)8-12-15(13(25)9-20)14(11-6-5-7-21-10-11)16-17(22-12)23(3)19(27)24(4)18(16)26/h5-8,10,14-15,22H,9H2,1-4H3/t14-,15+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1C(NC(=O)S1)C(=O)O
InChI: InChI=1S/C10H13N5O4.C4H5NO3S/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;6-3(7)2-1-9-4(8)5-2/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);2H,1H2,(H,5,8)(H,6,7)/t6-,7+,8+;/m0./s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H](O2)[C@@H](O1)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)OC)OS(=O)(=O)C)O
InChI: InChI=1S/C18H22O9S/c1-9(17(20)23-3)7-11-5-6-12(13(8-11)27-28(4,21)22)24-18-16-15(25-16)14(26-18)10(2)19/h5-8,10,14-16,18-19H,1-4H3/b9-7+/t10-,14-,15+,16+,18-/m1/s1
SMILES: C1=CC2=C(C=C1O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NCC6=CSC=C6)C7=C(N4C8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)C=C(C=C7)O
InChI: InChI=1S/C31H26N4O9S/c36-10-19-26(39)27(40)28(41)31(44-19)34-18-8-14(38)2-4-16(18)21-23-22(29(42)35(30(23)43)32-9-12-5-6-45-11-12)20-15-3-1-13(37)7-17(15)33-24(20)25(21)34/h1-8,11,19,26-28,31-33,36-41H,9-10H2/t19-,26-,27+,28-,31?/m0/s1
SMILES: C[C@@H]1CC[C@@H](N1C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C)C
InChI: InChI=1S/C15H23N3O5/c1-7-4-5-8(2)18(7)14(20)13-12(17-9(3)19)10(16)6-11(23-13)15(21)22/h6-8,10,12-13H,4-5,16H2,1-3H3,(H,17,19)(H,21,22)/t7-,8+,10-,12+,13+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C17H22FN3O2/c1-12-10-15(12)17(23)21-8-6-20(7-9-21)11-16(22)19-14-4-2-13(18)3-5-14/h2-5,12,15H,6-11H2,1H3,(H,19,22)/t12-,15+/m1/s1
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@@H]4[C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]([C@]46C7=C(C=CC(=C7)C#CCN8C9=CC=CC=C9N=N8)NC6=O)C1=CC(=CC=C1)OCCO)C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C56H49N7O8/c64-29-30-68-41-17-9-16-40(33-41)52-56(42-31-36(20-22-43(42)57-55(56)67)11-10-24-62-45-19-8-7-18-44(45)58-59-62)48(53(65)61-27-25-60(26-28-61)34-37-21-23-46-47(32-37)70-35-69-46)50-54(66)71-51(39-14-5-2-6-15-39)49(63(50)52)38-12-3-1-4-13-38/h1-9,12-23,31-33,48-52,64H,24-30,34-35H2,(H,57,67)/t48-,49-,50-,51+,52+,56-/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2CC(=O)NC4=NC5=C(N4)C=NC=C5)CC(=C6[C@@]3(CCC(=O)N6C)C)Cl
InChI: InChI=1S/C27H34ClN5O2/c1-26-9-6-18-16(13-19(28)24-27(18,2)10-7-23(35)33(24)3)17(26)5-4-15(26)12-22(34)32-25-30-20-8-11-29-14-21(20)31-25/h8,11,14-18H,4-7,9-10,12-13H2,1-3H3,(H2,30,31,32,34)/t15-,16?,17+,18?,26-,27-/m1/s1
SMILES: CC(C)(C)C1=N[C@@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H21NO/c1-19(2,3)18-20-16(14-10-6-4-7-11-14)17(21-18)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17-/m1/s1
SMILES: CC1=CC=CC=C1O[C@@H]2[C@H](N(C2=O)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C25H22FNO4/c1-16-5-3-4-6-21(16)31-23-22(18-9-11-19(12-10-18)25(29)30-2)27(24(23)28)15-17-7-13-20(26)14-8-17/h3-14,22-23H,15H2,1-2H3/t22-,23-/m1/s1
SMILES: CCCCCC[C@@]1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2C1)CC[C@@H]4O[Si](C)(C)C(C)(C)C)C)C)O
InChI: InChI=1S/C31H58O2Si/c1-9-10-11-12-18-31(32)21-20-29(5)23(22-31)13-14-24-25-15-16-27(30(25,6)19-17-26(24)29)33-34(7,8)28(2,3)4/h23-27,32H,9-22H2,1-8H3/t23?,24-,25-,26-,27-,29-,30-,31-/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Cl)O)C7=CC=CC=C7)C8=CC=CC=C8)(O)O
InChI: InChI=1S/C40H31BClNO7/c42-25-14-17-33(44)31(19-25)36-27-15-16-28-35(39(48)43(38(28)47)26-13-7-12-24(18-26)41(49)50)30(27)20-32-37(46)29(22-8-3-1-4-9-22)21-34(45)40(32,36)23-10-5-2-6-11-23/h1-15,17-19,21,28,30,32,35-36,44,49-50H,16,20H2/t28-,30+,32-,35-,36+,40-/m0/s1
SMILES: CCCOC(=O)C1=C(N=C2CC(CC(=O)[C@H]2[C@H]1C3=CC=CC=C3OC(C)C)(C)C)C
InChI: InChI=1S/C25H33NO4/c1-7-12-29-24(28)21-16(4)26-18-13-25(5,6)14-19(27)23(18)22(21)17-10-8-9-11-20(17)30-15(2)3/h8-11,15,22-23H,7,12-14H2,1-6H3/t22-,23-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C21H28O2.C18H24O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h4-5,12,16-19H,6-11H2,1-3H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t16-,17+,18-,19+,20+,21+;14-,15-,16+,17+,18+/m01/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCC[C@H]4[C@@H]3CCCC4)C
InChI: InChI=1S/C25H38N4O2/c1-19-7-5-10-22(20(19)2)26-24(30)17-27-13-15-28(16-14-27)18-25(31)29-12-6-9-21-8-3-4-11-23(21)29/h5,7,10,21,23H,3-4,6,8-9,11-18H2,1-2H3,(H,26,30)/p+2/t21-,23-/m0/s1