EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C=CCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC(=O)NCC8=CC=CC=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H64N4O11/c1-3-5-33-69-57(66)61(38-44-21-15-20-42-18-9-10-22-47(42)44)53-36-51(60-71-39-41-24-26-45(27-25-41)62(67)68)49-34-43(19-11-13-30-63)48(23-12-14-31-64)54-50-35-46(72-56(65)59-37-40-16-7-6-8-17-40)28-29-52(50)73-58(53,55(49)54)70-32-4-2/h3-4,6-10,15-18,20-22,24-29,34-35,43,48,53-55,63-64H,1-2,5,11-14,19,23,30-33,36-39H2,(H,59,65)/t43-,48+,53-,54+,55+,58+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)19-10-11-12-13(22-17(4,5)21-12)14-15(20-11)24-18(6,7)23-14/h11-15H,10H2,1-9H3/t11-,12+,13+,14-,15-/m1/s1
SMILES: CC[C@@H]([C@H]1[C@@H](C(=O)OC1(C)C)C(=O)OCC)C(=O)C2=CC=C(C=C2)Br
InChI: InChI=1S/C19H23BrO5/c1-5-13(16(21)11-7-9-12(20)10-8-11)15-14(17(22)24-6-2)18(23)25-19(15,3)4/h7-10,13-15H,5-6H2,1-4H3/t13-,14+,15-/m0/s1
SMILES: CC(C)(C)CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C15H26N5O13P3S/c1-15(2,3)5-37-14-18-11(16)8-12(19-14)20(6-17-8)13-10(22)9(21)7(31-13)4-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,4-5H2,1-3H3,(H,26,27)(H,28,29)(H2,16,18,19)(H2,23,24,25)/t7-,9-,10-,13-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)CC=C6[C@@]3(CCCC6)C
InChI: InChI=1S/C35H48OSi/c1-33(2,3)37(27-15-8-6-9-16-27,28-17-10-7-11-18-28)36-32-22-21-30-29-20-19-26-14-12-13-24-34(26,4)31(29)23-25-35(30,32)5/h6-11,15-19,29-32H,12-14,20-25H2,1-5H3/t29-,30-,31-,32-,34-,35-/m0/s1
SMILES: COC1=C(C=CC(=C1)C2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O.COC1=C(C=CC(=C1)C2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI: InChI=1S/2C25H22O10/c2*1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2*2-9,20,23-29,31H,10H2,1H3/t2*20-,23+,24?,25-/m11/s1
SMILES: C[C@@H]1[C@H](N(CC[C@@]1(C2=CC=CC=C2)O)C)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO/c1-15-18(16-9-5-3-6-10-16)20(2)14-13-19(15,21)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3/t15-,18+,19-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2C[C@@]([C@H](C[C@@]2(C3(C1)OCCO3)C)O)(C)O
InChI: InChI=1S/C16H26O6/c1-10(17)22-12-6-11-7-15(3,19)13(18)9-14(11,2)16(8-12)20-4-5-21-16/h11-13,18-19H,4-9H2,1-3H3/t11-,12+,13+,14+,15-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C21H29NO6/c1-25-17-8-14(9-18(26-2)21(17)27-3)11-22-19(23)12-28-20(24)10-16-7-13-4-5-15(16)6-13/h8-9,13,15-16H,4-7,10-12H2,1-3H3,(H,22,23)/t13-,15+,16+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])N.Cl
InChI: InChI=1S/C6H10N2O5.ClH/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6;/h3-6H,1-2,7H2;1H/t3-,4+,5+,6+;/m0./s1
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2[C@@H](O2)C(=O)C3=CC=CC=C3OCC4=CC=CC=C4
InChI: InChI=1S/C24H22O5/c1-26-17-12-13-20(27-2)19(14-17)23-24(29-23)22(25)18-10-6-7-11-21(18)28-15-16-8-4-3-5-9-16/h3-14,23-24H,15H2,1-2H3/t23-,24+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@]1([C@H]2C[C@@H]([C@@]1(C(=O)C=C2)O[Si](C)(C)C(C)(C)C)C(=O)OC)CSC
InChI: InChI=1S/C24H44O5SSi2/c1-21(2,3)31(9,10)28-23(16-30-8)17-13-14-19(25)24(23,18(15-17)20(26)27-7)29-32(11,12)22(4,5)6/h13-14,17-18H,15-16H2,1-12H3/t17-,18-,23+,24+/m1/s1
SMILES: COC1([C@@]2([C@H]([C@@]2(C(=N1)NC(=O)NC3=CC=CC=C3)C#N)C4=CC=CC=C4)C#N)OC
InChI: InChI=1S/C22H19N5O3/c1-29-22(30-2)21(14-24)17(15-9-5-3-6-10-15)20(21,13-23)18(27-22)26-19(28)25-16-11-7-4-8-12-16/h3-12,17H,1-2H3,(H2,25,26,27,28)/t17-,20+,21+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O
InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H](C2([C@H]3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=C(C(=C(C=C6)OC)OC)OC
InChI: InChI=1S/C34H32ClNO6/c1-33(2,3)32(39)27-26(22-13-15-24(40-4)29(42-6)28(22)41-5)34(30(37)20-9-7-8-10-21(20)31(34)38)25-16-11-18-17-19(35)12-14-23(18)36(25)27/h7-17,25-27H,1-6H3/t25-,26-,27+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)[O-]
InChI: InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/p-1/b20-9+/t10-,14+/m1/s1
SMILES: CC1=CC=C(C=C1)CN2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CCC(=O)O
InChI: InChI=1S/C17H20N2O5S2/c1-11-2-4-12(5-3-11)8-19-13-9-26(23,24)10-14(13)25-17(19)18-15(20)6-7-16(21)22/h2-5,13-14H,6-10H2,1H3,(H,21,22)/t13-,14+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8+,9-/m0/s1
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C26H34N2O5.C2HF3O2/c1-28-15-19-13-20(27-25(29)17-6-8-21(30-2)23(12-17)32-4)10-11-26(19,16-28)18-7-9-22(31-3)24(14-18)33-5;3-2(4,5)1(6)7/h6-9,12,14,19-20H,10-11,13,15-16H2,1-5H3,(H,27,29);(H,6,7)/t19-,20-,26+;/m1./s1
SMILES: CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2O1)NC(=O)C(C)(C)C(=O)NCC(C(F)(F)F)(F)F
InChI: InChI=1S/C19H22F5N3O4/c1-4-11-13(14(28)26-10-7-5-6-8-12(10)31-11)27-16(30)17(2,3)15(29)25-9-18(20,21)19(22,23)24/h5-8,11,13H,4,9H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t11-,13+/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O.C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
InChI: InChI=1S/C21H18O11.C15H10O5/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,16-19,21,23-27H,(H,28,29);1-7,17-19H/t16-,17-,18+,19-,21+;/m0./s1
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)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)O)O)O)O)O)O
InChI: InChI=1S/C26H28O17/c27-6-13-15(31)17(33)20(36)25(41-13)39-8-4-11(30)14-12(5-8)40-22(7-1-2-9(28)10(29)3-7)23(16(14)32)42-26-21(37)18(34)19(35)24(38)43-26/h1-5,13,15,17-21,24-31,33-38H,6H2/t13-,15-,17+,18-,19+,20-,21-,24-,25-,26+/m1/s1
SMILES: CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4OS(=O)(=O)C)OCO6
InChI: InChI=1S/C21H21NO7S/c1-22-8-14-12(3-4-15-21(14)28-10-25-15)19-18(29-30(2,23)24)6-11-5-16-17(27-9-26-16)7-13(11)20(19)22/h3-5,7,18-20H,6,8-10H2,1-2H3/t18-,19-,20+/m0/s1
SMILES: CCOC1=C2C(=NC3=CC=CC=C31)C4=CC5=C(C(O[C@H]([C@@H]5CN4C2=O)C)O)C(=O)OC
InChI: InChI=1S/C23H22N2O6/c1-4-30-20-12-7-5-6-8-15(12)24-19-16-9-13-14(10-25(16)21(26)18(19)20)11(2)31-23(28)17(13)22(27)29-3/h5-9,11,14,23,28H,4,10H2,1-3H3/t11-,14-,23?/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C)C5=C(C(=CC(=C5)Br)OC)O
InChI: InChI=1S/C25H22BrNO6/c1-10-6-17(28)15-9-14-12(4-5-13-20(14)25(32)27(2)24(13)31)19(21(15)22(10)29)16-7-11(26)8-18(33-3)23(16)30/h4,6-8,13-14,19-20,30H,5,9H2,1-3H3/t13-,14+,19+,20-/m0/s1
SMILES: COC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C20H18ClNO2/c1-24-20(23)13-8-9-18-17(11-13)15-6-3-7-16(15)19(22-18)12-4-2-5-14(21)10-12/h2-6,8-11,15-16,19,22H,7H2,1H3/t15-,16-,19-/m0/s1
SMILES: CC1=NN(C2=C1[C@H]([C@@H](CN2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI: InChI=1S/C27H26N4O2/c1-18-24-25(19-13-15-22(33-2)16-14-19)23(29-27(32)20-9-5-3-6-10-20)17-28-26(24)31(30-18)21-11-7-4-8-12-21/h3-16,23,25,28H,17H2,1-2H3,(H,29,32)/t23-,25+/m1/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O
InChI: InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+/m1/s1
SMILES: C[S+](CC[C@@H](C(=O)O)N)C[C@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8-,10+,11+,14+,27?/m0/s1
SMILES: C[C@H]([C@H]1[C@H]([C@@H](C(=O)O1)NC(=O)OC)[Si](C)(C)C2=CC=CC=C2)O
InChI: InChI=1S/C16H23NO5Si/c1-10(18)13-14(12(15(19)22-13)17-16(20)21-2)23(3,4)11-8-6-5-7-9-11/h5-10,12-14,18H,1-4H3,(H,17,20)/t10-,12+,13+,14+/m1/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1[C@H](CC3=CC(=C(C=C23)OC)OC)C#N)(C)C)SC4=CC=C(C=C4)Cl
InChI: InChI=1S/C26H30ClNO2S/c1-25(2)23(31-19-8-6-18(27)7-9-19)10-11-26(3)20-14-22(30-5)21(29-4)13-16(20)12-17(15-28)24(25)26/h6-9,13-14,17,23-24H,10-12H2,1-5H3/t17-,23+,24+,26-/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C19H26N2O3/c1-13(21-9-8-14-4-2-3-5-15(14)11-21)19(22)20-16-6-7-17-18(10-16)24-12-23-17/h6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,20,22)/t13-,14-,15+/m0/s1
SMILES: CO[C@@]12C[C@H]3CC(=O)C=C3C(=O)[C@]4(O1)CC(=O)C[C@H]4C2
InChI: InChI=1S/C15H16O5/c1-19-14-5-8-2-10(16)4-12(8)13(18)15(20-14)7-11(17)3-9(15)6-14/h4,8-9H,2-3,5-7H2,1H3/t8-,9+,14+,15+/m1/s1
SMILES: CCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C
InChI: InChI=1S/C31H52O6/c1-4-5-6-7-8-9-10-11-12-13-28(34)37-27-15-14-22-21-20-36-29(35)24-18-25(32)26(33)19-31(24,3)23(21)16-17-30(22,27)2/h21-27,32-33H,4-20H2,1-3H3/t21-,22-,23-,24+,25-,26+,27-,30-,31+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C43H48O6Si/c1-43(2,3)50(36-25-15-7-16-26-36,37-27-17-8-18-28-37)48-32-38-39(45-29-33-19-9-4-10-20-33)40(46-30-34-21-11-5-12-22-34)41(42(44)49-38)47-31-35-23-13-6-14-24-35/h4-28,38-42,44H,29-32H2,1-3H3/t38-,39-,40+,41-,42?/m1/s1
SMILES: C[C@H](CC(=O)CC(C)C)[C@H]1CC(=O)[C@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@@H]4[C@@]3(CC[C@H](C4)OCOC)C)OCOC)OCOC)C
InChI: InChI=1S/C33H56O8/c1-20(2)13-22(34)14-21(3)25-16-27(35)29-28-24(10-12-33(25,29)5)32(4)11-9-23(39-17-36-6)15-26(32)30(40-18-37-7)31(28)41-19-38-8/h20-21,23-26,28-31H,9-19H2,1-8H3/t21-,23-,24+,25-,26-,28-,29-,30-,31-,32-,33-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)C(=O)CC[C@]24CO4)COC(=O)C)OC(=O)C
InChI: InChI=1S/C24H32O7/c1-15-11-20(31-17(3)26)24(14-29-16(2)25)21(19(27)6-9-23(24)13-30-23)22(15,4)8-5-18-7-10-28-12-18/h7,10,12,15,20-21H,5-6,8-9,11,13-14H2,1-4H3/t15-,20-,21-,22+,23+,24-/m1/s1
SMILES: C1CN(C[C@H]([C@@H]1NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H27ClN2/c26-23-13-11-20(12-14-23)17-27-25-15-16-28(18-21-7-3-1-4-8-21)19-24(25)22-9-5-2-6-10-22/h1-14,24-25,27H,15-19H2/t24-,25+/m0/s1
SMILES: C[C@H](C(=O)OC[C@@H]1CCC[NH+]2[C@@H]1CCCC2)OC3=CC=CC=C3
InChI: InChI=1S/C19H27NO3/c1-15(23-17-9-3-2-4-10-17)19(21)22-14-16-8-7-13-20-12-6-5-11-18(16)20/h2-4,9-10,15-16,18H,5-8,11-14H2,1H3/p+1/t15-,16+,18-/m1/s1
SMILES: C[C@H]1[C@@H]2CCCN2CCN1CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H25ClN2O/c1-16-21-6-3-11-23(21)12-13-24(16)15-17-4-2-5-20(14-17)25-19-9-7-18(22)8-10-19/h2,4-5,7-10,14,16,21H,3,6,11-13,15H2,1H3/t16-,21-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@]1(CC(=O)[C@@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,19-,20-,21+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)NCCC(=O)[O-])C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C22H20F2N2O3/c23-13-5-6-16(18(24)11-13)21-15-3-1-2-14(15)17-10-12(4-7-19(17)26-21)22(29)25-9-8-20(27)28/h1-2,4-7,10-11,14-15,21,26H,3,8-9H2,(H,25,29)(H,27,28)/p-1/t14-,15+,21+/m0/s1
SMILES: C1=CC=[N+]2[C@@H]3[C@H]4C5=C(C=C(C=C5)Cl)[C@@H]([C@H](C2=C1)C6=C3C=CC(=C6)Cl)C7=CC=CC=[N+]47
InChI: InChI=1S/C26H18Cl2N2/c27-15-7-9-17-19(13-15)23-21-5-1-3-11-29(21)25(17)26-18-10-8-16(28)14-20(18)24(23)22-6-2-4-12-30(22)26/h1-14,23-26H/q+2/t23-,24+,25-,26+
SMILES: CC1=CC=C(C=C1)[C@H]2CC3CCC([C@H]2C4=CC(=NO4)C)N3C.Cl
InChI: InChI=1S/C19H24N2O.ClH/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18;/h4-7,10,15-17,19H,8-9,11H2,1-3H3;1H/t15?,16-,17?,19+;/m1./s1
SMILES: CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)[C@H]([C@H]1O)C4=CC=CC=C4)CC
InChI: InChI=1S/C30H35NO5S/c1-3-5-18-30(4-2)21-37(34,35)26-17-16-24(31-29(33)36-20-22-12-8-6-9-13-22)19-25(26)27(28(30)32)23-14-10-7-11-15-23/h6-17,19,27-28,32H,3-5,18,20-21H2,1-2H3,(H,31,33)/t27-,28-,30-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1OC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H24N2O6/c1-12(22-18(24)13-7-3-4-8-14(13)19(22)25)20(26)28-11-17(23)21-15-9-5-6-10-16(15)27-2/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,21,23)/t12-,13+,14+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C
InChI: InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h15,17-19,21-24,28H,6-14,16H2,1-5H3/t18-,19+,21-,22+,23+,24+,25-,26-,27+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C)C
InChI: InChI=1S/C38H65NO4/c1-24(2)12-11-13-26(5)30-16-17-31-29-15-14-27-23-28(18-20-37(27,9)32(29)19-21-38(30,31)10)42-34(40)33(22-25(3)4)39-35(41)43-36(6,7)8/h14,24-26,28-33H,11-13,15-23H2,1-10H3,(H,39,41)/t26-,28+,29+,30-,31+,32+,33-,37+,38-/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)I
InChI: InChI=1S/C9H11IN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m1/s1
SMILES: CCC1=C(SC(=C1C(=O)N)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22)/t13-,14+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)CC(=O)OC2=C(C=C(C=C2OC)[C@H]3[C@@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O)OC
InChI: InChI=1S/C31H31NO8/c1-32(2)21-7-5-17(6-8-21)9-27(33)40-30-25(35-3)12-19(13-26(30)36-4)28-22-14-24-23(38-16-39-24)11-18(22)10-20-15-37-31(34)29(20)28/h5-8,11-14,20,28-29H,9-10,15-16H2,1-4H3/t20-,28+,29-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=C(C=C4)C)C)C(C)C
InChI: InChI=1S/C28H37N2O3/c1-19(2)23-15-12-21(4)16-26(23)33-28(31)17-30-25-9-7-6-8-24(25)29(5)27(30)18-32-22-13-10-20(3)11-14-22/h6-11,13-14,19,21,23,26H,12,15-18H2,1-5H3/q+1/t21-,23+,26+/m1/s1
SMILES: COC1=C(C=C(C=C1)C[C@H]2CCC(=O)[C@@H]2CC3=CC(=C(C=C3)O)O)OC
InChI: InChI=1S/C21H24O5/c1-25-20-8-4-13(12-21(20)26-2)9-15-5-7-17(22)16(15)10-14-3-6-18(23)19(24)11-14/h3-4,6,8,11-12,15-16,23-24H,5,7,9-10H2,1-2H3/t15-,16-/m1/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI: InChI=1S/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C
InChI: InChI=1S/C22H28N2O3/c1-13-8-7-11-19(15(13)3)24-21(25)16(4)27-22(26)18-12-14(2)23-20-10-6-5-9-17(18)20/h5-6,9-10,12-13,15-16,19H,7-8,11H2,1-4H3,(H,24,25)/t13-,15-,16-,19-/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H](O[C@@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)OC(C)C(C4=CC(=C(C=C4)O)OC)O)OC)C
InChI: InChI=1S/C30H36O8/c1-16-17(2)30(38-29(16)20-8-11-23(32)26(14-20)35-5)21-9-12-24(27(15-21)36-6)37-18(3)28(33)19-7-10-22(31)25(13-19)34-4/h7-18,28-33H,1-6H3/t16-,17-,18?,28?,29-,30+/m0/s1
SMILES: CC(=CCC[C@@]1([C@H](C[C@]2(C(=O)/C(=C(/C3=CC(=C(C=C3)O)O)\O)/C(=O)[C@@]1(C2=O)CC=C(C)C)CC(CC=C(C)C)C(=C)C)CC=C(C)C)C)C
InChI: InChI=1S/C43H58O6/c1-26(2)13-12-21-41(11)33(18-15-28(5)6)25-42(24-32(30(9)10)16-14-27(3)4)38(47)36(37(46)31-17-19-34(44)35(45)23-31)39(48)43(41,40(42)49)22-20-29(7)8/h13-15,17,19-20,23,32-33,44-46H,9,12,16,18,21-22,24-25H2,1-8,10-11H3/b37-36+/t32?,33-,41+,42-,43+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC(=C4N5N=C6C=CC=CC6=N5)C=O)C)C
InChI: InChI=1S/C28H33N3O3/c1-17(33)34-20-10-12-27(2)19(15-20)8-9-21-22(27)11-13-28(3)23(21)14-18(16-32)26(28)31-29-24-6-4-5-7-25(24)30-31/h4-8,16,20-23H,9-15H2,1-3H3/t20-,21+,22-,23-,27-,28-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C15H18O3/c1-18-12-4-2-3-9(8-12)13-10-5-6-11(7-10)14(13)15(16)17/h2-4,8,10-11,13-14H,5-7H2,1H3,(H,16,17)/t10-,11+,13-,14-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4
InChI: InChI=1S/C19H24N4O2S2/c1-11-5-2-3-7-13(11)22-19(25)23-15(24)9-26-17-16-12-6-4-8-14(12)27-18(16)21-10-20-17/h10-11,13H,2-9H2,1H3,(H2,22,23,24,25)/t11-,13-/m0/s1
SMILES: C1=C[C@@H]2C=C(C(=O)O[C@H]2C=C1)C3=CN4C=C(SC4=N3)CC5=CC(=CC=C5)Cl
InChI: InChI=1S/C21H15ClN2O2S/c22-15-6-3-4-13(8-15)9-16-11-24-12-18(23-21(24)27-16)17-10-14-5-1-2-7-19(14)26-20(17)25/h1-8,10-12,14,19H,9H2/t14-,19+/m1/s1
SMILES: CC(=CCC[C@]1(CC=C(C(=O)[C@@H]([C@@H]1/C=C/OC(=O)C=C(C)C)CC(=O)C)CO)C)C
InChI: InChI=1S/C25H36O5/c1-17(2)8-7-11-25(6)12-9-20(16-26)24(29)21(15-19(5)27)22(25)10-13-30-23(28)14-18(3)4/h8-10,13-14,21-22,26H,7,11-12,15-16H2,1-6H3/b13-10+/t21-,22+,25+/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@H]4CC[C@H]5[C@@H]3[C@@H]1[C@@H]6C2=C7C[C@H]8C4=C5[C@@H]9[C@H]8[C@@H]7[C@H]6C9
InChI: InChI=1S/C22H24/c1-2-8-16-10-4-3-9-15(16)7(1)17-11-5-13-19(9)20(10)14-6-12(18(8)17)21(11)22(13)14/h7-13,15-16,19,21-22H,1-6H2/t7-,8+,9+,10-,11+,12-,13-,15+,16-,19-,21+,22+/m0/s1
SMILES: CC1=C(C=C(S1)CC[C@@H](/C=C/[C@@H]2[C@H](C(CC2C=C)O)C/C=C\CCCC(=O)N)O)Br
InChI: InChI=1S/C24H34BrNO3S/c1-3-17-14-23(28)21(8-6-4-5-7-9-24(26)29)20(17)13-11-18(27)10-12-19-15-22(25)16(2)30-19/h3-4,6,11,13,15,17-18,20-21,23,27-28H,1,5,7-10,12,14H2,2H3,(H2,26,29)/b6-4-,13-11+/t17?,18-,20-,21+,23?/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H22N2O4/c1-24-13-8-6-12(7-9-13)19-16(21)10-11-20-17(22)14-4-2-3-5-15(14)18(20)23/h6-9,14-15H,2-5,10-11H2,1H3,(H,19,21)/t14-,15+
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN
InChI: InChI=1S/C13H18O9.C6H6N4O4/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15;7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h10-13H,5H2,1-4H3;1-3,8H,7H2/t10-,11-,12+,13+;/m1./s1
SMILES: CSCC[C@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3CCCC3)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H25N3O3S/c1-28-11-10-15-16-17(19(26)24(18(16)25)12-6-2-3-7-12)21(23-15)13-8-4-5-9-14(13)22-20(21)27/h4-5,8-9,12,15-17,23H,2-3,6-7,10-11H2,1H3,(H,22,27)/p+1/t15-,16+,17+,21-/m0/s1
SMILES: C[C@H]1C=CC(=O)[C@H]([C@H]1CC[C@@H]2C[C@@H](OC(O2)(C)C)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C5=CC=CC=C5
InChI: InChI=1S/C39H50O4Si/c1-29-22-25-36(40)37(30-16-10-7-11-17-30)35(29)24-23-31-28-32(43-39(5,6)42-31)26-27-41-44(38(2,3)4,33-18-12-8-13-19-33)34-20-14-9-15-21-34/h7-22,25,29,31-32,35,37H,23-24,26-28H2,1-6H3/t29-,31+,32-,35-,37-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC(=CC=C3)Br
InChI: InChI=1S/C19H24BrN3O3/c1-12-6-3-4-9-15(12)21-16(24)11-23-17(25)19(2,22-18(23)26)13-7-5-8-14(20)10-13/h5,7-8,10,12,15H,3-4,6,9,11H2,1-2H3,(H,21,24)(H,22,26)/t12-,15+,19-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=CC=C3C(=O)[O-])C4=CC(=CC=C4)Br
InChI: InChI=1S/C19H16BrNO2/c20-12-5-1-4-11(10-12)17-14-7-2-6-13(14)15-8-3-9-16(19(22)23)18(15)21-17/h1-6,8-10,13-14,17,21H,7H2,(H,22,23)/p-1/t13-,14-,17-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C29H37N5O7S2Si/c1-29(2,3)44(5,6)41-13-7-8-18-15-42-26-22(32-24(35)21(33-38)20-16-43-28(30)31-20)25(36)34(26)23(18)27(37)40-14-17-9-11-19(39-4)12-10-17/h7-12,16,22,26,38H,13-15H2,1-6H3,(H2,30,31)(H,32,35)/b8-7-,33-21-/t22-,26-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C20H16ClN3O4/c1-11-13(21)9-6-10-14(11)23-18(25)15-16(20(27)28-2)22-24(17(15)19(23)26)12-7-4-3-5-8-12/h3-10,15,17H,1-2H3/t15-,17-/m1/s1
SMILES: C[C@H]([C@@H](C(=O)OCCOCCOC)NC(=O)OCC=C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H41NO16/c1-8-9-38-27(34)28-21(25(33)37-13-12-36-11-10-35-7)15(2)40-26-24(43-19(6)32)23(42-18(5)31)22(41-17(4)30)20(44-26)14-39-16(3)29/h8,15,20-24,26H,1,9-14H2,2-7H3,(H,28,34)/t15-,20-,21+,22+,23+,24-,26-/m1/s1
SMILES: C1=CC(=CC(=C1)C(F)(F)F)[C@]2([C@@](C(C2(F)F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)F)F
InChI: InChI=1S/C18H8F12/c19-13(9-3-1-5-11(7-9)15(21,22)23)14(20,18(29,30)17(13,27)28)10-4-2-6-12(8-10)16(24,25)26/h1-8H/t13-,14-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(C)C
InChI: InChI=1S/C22H32O7/c1-13(2)16-8-7-14(3)9-17(16)29-20(23)12-28-22(24)15-10-18(25-4)21(27-6)19(11-15)26-5/h10-11,13-14,16-17H,7-9,12H2,1-6H3/t14-,16-,17+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NC6=C(C=C(C=C6)OC)OC)OCC=C)CCCCO)CCCCO)C(=O)OCC(C)(C)C
InChI: InChI=1S/C50H71N3O12/c1-8-23-53(48(57)61-32-49(3,4)5)43-31-40(52-65-44-18-12-15-27-60-44)37-28-33(16-10-13-24-54)36(17-11-14-25-55)45-38-29-35(20-22-41(38)64-50(43,46(37)45)62-26-9-2)63-47(56)51-39-21-19-34(58-6)30-42(39)59-7/h9,19-22,28-30,33,36,43-46,54-55H,2,8,10-18,23-27,31-32H2,1,3-7H3,(H,51,56)/t33-,36+,43-,44?,45+,46+,50+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C=C(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)NC
InChI: InChI=1S/C43H58N2O15/c1-21(2)17-25(45-38(53)60-39(5,6)7)30(48)36(51)56-26-19-43(54)34(58-35(50)24-15-13-12-14-16-24)32-41(10,27(47)18-28-42(32,20-55-28)59-23(4)46)33(49)31(57-37(52)44-11)29(22(26)3)40(43,8)9/h12-17,25-28,30-32,34,47-48,54H,18-20H2,1-11H3,(H,44,52)(H,45,53)/t25-,26-,27-,28+,30+,31+,32-,34-,41+,42-,43+/m0/s1
SMILES: CC(=O)C1=CC2=C3C(=C1)[C@@H]4C=CC[C@H]4[C@@H](N3C[C@@H]5[C@@H]2C=CC5)C6=CC=C(C=C6)Br
InChI: InChI=1S/C26H24BrNO/c1-15(29)18-12-23-20-5-2-4-17(20)14-28-25(16-8-10-19(27)11-9-16)22-7-3-6-21(22)24(13-18)26(23)28/h2-3,5-6,8-13,17,20-22,25H,4,7,14H2,1H3/t17-,20+,21-,22-,25+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[NH+]1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)OC(=O)C
InChI: InChI=1S/C24H20N2O5/c1-13(27)21-19-20(22-18-6-4-3-5-15(18)11-12-25(21)22)24(30)26(23(19)29)16-7-9-17(10-8-16)31-14(2)28/h3-12,19-22H,1-2H3/p+1/t19-,20+,21-,22-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CSC3=C(C(=CC(=N3)C)C)C#N)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=C(S5)C)C
InChI: InChI=1S/C36H42N2O3S2/c1-22-7-6-15-35(5)31(14-16-36(35,41)21-42-34-30(20-37)23(2)17-24(3)38-34)28-12-10-26(18-27(39)11-8-22)19-29(28)33(40)32-13-9-25(4)43-32/h7,9-10,12-13,17,19,27,31,39,41H,6,8,11,14-16,18,21H2,1-5H3/t27-,31-,35-,36+/m0/s1
SMILES: COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O
InChI: InChI=1S/C16H16ClNO5/c1-23-16(22)9-6-7-12(17)13(8-9)18-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,18,19)(H,20,21)/t10-,11+/m1/s1
SMILES: CCC(=O)OCC(=O)[C@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C
InChI: InChI=1S/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3/t15-,16-,18-,19-,21+,24-,25-,26+,27-/m0/s1
SMILES: CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
InChI: InChI=1S/C40H62O19/c1-18(2)33(43)49-15-26-28(54-35(45)20(5)6)30(56-37(47)22(9)10)31(57-38(48)23(11)12)39(53-26)59-40(17-51-24(13)41)32(52-25(14)42)29(55-36(46)21(7)8)27(58-40)16-50-34(44)19(3)4/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F
InChI: InChI=1S/C18H15FN2O2/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(21(22)23)8-9-17(16)20-18/h1-2,4-10,14-15,18,20H,3H2/t14-,15+,18+/m1/s1
SMILES: CCOP(=O)(C[C@@H]1[C@H](CN2[C@@H]1COC2=O)C3=CC=CC4=CC=CC=C43)OCC
InChI: InChI=1S/C21H26NO5P/c1-3-26-28(24,27-4-2)14-19-18(12-22-20(19)13-25-21(22)23)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,18-20H,3-4,12-14H2,1-2H3/t18-,19-,20-/m1/s1
SMILES: C[C@@]1([C@](N(C(=O)O1)CCC2=NC3=CC=CC=C3N2)(C)O)CC4=CC=CC=C4
InChI: InChI=1S/C21H23N3O3/c1-20(14-15-8-4-3-5-9-15)21(2,26)24(19(25)27-20)13-12-18-22-16-10-6-7-11-17(16)23-18/h3-11,26H,12-14H2,1-2H3,(H,22,23)/t20-,21-/m0/s1
SMILES: CCN(CC)C1=CC(=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C)C
InChI: InChI=1S/C18H25N3O3S2/c1-5-20(6-2)14-7-8-15(12(3)9-14)21-16-10-26(23,24)11-17(16)25-18(21)19-13(4)22/h7-9,16-17H,5-6,10-11H2,1-4H3/t16-,17+/m1/s1