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)NCC5=CC=CC=C5)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C47H49N3O4/c1-32-44(30-50(3)33(2)40-26-21-36-13-7-8-14-41(36)27-40)53-46(54-45(32)38-19-17-35(31-51)18-20-38)39-24-22-37(23-25-39)43-16-10-9-15-42(43)29-49-47(52)48-28-34-11-5-4-6-12-34/h4-27,32-33,44-46,51H,28-31H2,1-3H3,(H2,48,49,52)/t32-,33-,44+,45+,46+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](CN1C(=O)C2=CN=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H24N2O9/c1-11(23)28-10-16-18(30-13(3)25)19(31-14(4)26)17(29-12(2)24)9-22(16)20(27)15-6-5-7-21-8-15/h5-8,16-19H,9-10H2,1-4H3/t16-,17+,18-,19-/m1/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C24H20ClNO5/c1-14-3-2-4-19-21(14)23(29)26(22(19)28)18-11-7-16(8-12-18)24(30)31-13-20(27)15-5-9-17(25)10-6-15/h2-3,5-12,14,19,21H,4,13H2,1H3/t14-,19-,21+/m0/s1
SMILES: C[C@@H]1CC(=C[C@H]([C@@H]1C2OCC3(CO2)COC(OC3)[C@H]4[C@H](CC(=C[C@H]4C)C)C)C)C
InChI: InChI=1S/C25H40O4/c1-15-7-17(3)21(18(4)8-15)23-26-11-25(12-27-23)13-28-24(29-14-25)22-19(5)9-16(2)10-20(22)6/h7,9,17-24H,8,10-14H2,1-6H3/t17-,18-,19-,20+,21+,22-,23?,24?,25?/m1/s1
SMILES: CC(=C)C[C@H]1[C@@H]2[C@H](CCN2CC3=CC4=C(C=C13)OCO4)OC(=S)N5C=CN=C5
InChI: InChI=1S/C21H23N3O3S/c1-13(2)7-16-15-9-19-18(25-12-26-19)8-14(15)10-23-5-3-17(20(16)23)27-21(28)24-6-4-22-11-24/h4,6,8-9,11,16-17,20H,1,3,5,7,10,12H2,2H3/t16-,17+,20-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C28H26ClN3O5/c1-4-36-28(35)18-7-13-21(14-8-18)31-26(33)23-24(17-5-11-20(12-6-17)30(2)3)32(37-25(23)27(31)34)22-15-9-19(29)10-16-22/h5-16,23-25H,4H2,1-3H3/t23-,24+,25-/m0/s1
SMILES: C/C(=N/NC(=O)CC1=CC=C(C=C1)OC)/[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H24N2O2/c1-12(17-10-14-3-6-15(17)9-14)19-20-18(21)11-13-4-7-16(22-2)8-5-13/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3,(H,20,21)/b19-12-/t14-,15+,17+/m0/s1
SMILES: C[C@@H](CCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CCCC4)C)O)C
InChI: InChI=1S/C24H40O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17?,18+,19?,20?,21-,23-,24+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC=C(C=C2)OC
InChI: InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/p-1/t13-,14+/m0/s1
SMILES: CC(=O)N[C@H]1C[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H19NO7/c1-6(15)14-10-5-11(19-7(2)16)13(21-9(4)18)12(10)20-8(3)17/h10-13H,5H2,1-4H3,(H,14,15)/t10-,11-,12+,13+/m0/s1
SMILES: C[C@@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O
InChI: InChI=1S/C20H21NO6/c1-19(2)12-6-7-20(19,3)16(10-12)27-18(23)14-9-11-8-13(21(24)25)4-5-15(11)26-17(14)22/h4-5,8-9,12,16H,6-7,10H2,1-3H3/t12-,16+,20-/m0/s1
SMILES: C1=CC(=CC(=C1)N)[C@H]2[C@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O
InChI: InChI=1S/C12H18N2O4/c13-7-3-1-2-6(4-7)9-11(17)12(18)10(16)8(5-15)14-9/h1-4,8-12,14-18H,5,13H2/t8-,9+,10-,11-,12+/m1/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=C3N=CN4C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C21H26N6O5/c1-31-14-5-3-2-4-13(14)25-6-8-26(9-7-25)19-16-20(23-11-22-19)27(12-24-16)21-18(30)17(29)15(10-28)32-21/h2-5,11-12,15,17-18,21,28-30H,6-10H2,1H3/t15-,17-,18-,21?/m1/s1
SMILES: C1CCC(CC1)[C@H]2[C@H]3CCC[NH+]3CC[NH+]2CC4=CC=C(O4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H31ClN2O/c25-20-10-8-18(9-11-20)23-13-12-21(28-23)17-27-16-15-26-14-4-7-22(26)24(27)19-5-2-1-3-6-19/h8-13,19,22,24H,1-7,14-17H2/p+2/t22-,24+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)NC(=O)C5=CN=CC=C5)C6=CC=C(C=C6)CO
InChI: InChI=1S/C38H48N4O5/c1-38(2,3)41-36(45)33-19-16-26-7-4-5-9-32(26)42(33)23-31-21-34(27-12-10-25(24-43)11-13-27)47-37(46-31)28-14-17-30(18-15-28)40-35(44)29-8-6-20-39-22-29/h6,8,10-15,17-18,20,22,26,31-34,37,43H,4-5,7,9,16,19,21,23-24H2,1-3H3,(H,40,44)(H,41,45)/t26-,31-,32-,33-,34+,37+/m1/s1
SMILES: CC(=O)/C=C/[C@@]12[C@@](O1)([C@H]([C@H](CC2(C)C)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)O)C
InChI: InChI=1S/C23H27F3O6/c1-14(27)11-12-21-19(2,3)13-16(17(28)20(21,4)32-21)31-18(29)22(30-5,23(24,25)26)15-9-7-6-8-10-15/h6-12,16-17,28H,13H2,1-5H3/b12-11+/t16-,17-,20-,21+,22+/m0/s1
SMILES: C[C@@H]1CCC[C@@]2(C1)[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C#N
InChI: InChI=1S/C21H21BrN4O2S/c1-13-3-2-8-21(9-13)16(10-23)19(28)26-20(17(21)11-24)29-12-18(27)25-15-6-4-14(22)5-7-15/h4-7,13,16H,2-3,8-9,12H2,1H3,(H,25,27)(H,26,28)/t13-,16-,21-/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CC=C(C=C5)C(=O)OC)CCCO
InChI: InChI=1S/C34H33ClN2O8/c1-4-44-34-25(6-5-15-38)26(20-7-9-21(10-8-20)33(42)43-3)18-29(45-34)30(39)36-23-12-14-28(19(2)16-23)37-31(40)24-13-11-22(35)17-27(24)32(37)41/h7-14,16-18,25-26,34,38H,4-6,15H2,1-3H3,(H,36,39)/t25-,26-,34-/m1/s1
SMILES: CC(=O)N(C)C1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C18H20N2O4/c1-10(21)20(2)14-7-5-13(6-8-14)19-17(22)15-11-3-4-12(9-11)16(15)18(23)24/h3-8,11-12,15-16H,9H2,1-2H3,(H,19,22)(H,23,24)/t11-,12+,15+,16+/m1/s1
SMILES: B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C32H42BFN2O4/c1-20(2)15-28(33-39-27-19-23-18-26(31(23,3)4)32(27,5)40-33)36-30(38)25(16-21-9-7-6-8-10-21)35-29(37)17-22-11-13-24(34)14-12-22/h6-14,20,23,25-28H,15-19H2,1-5H3,(H,35,37)(H,36,38)/t23-,25+,26-,27-,28+,32+/m1/s1
SMILES: CCCCC(C(=O)C[C@@]1(CCC[C@@H]1N=[N+]=[N-])O)C(=O)OCC
InChI: InChI=1S/C15H25N3O4/c1-3-5-7-11(14(20)22-4-2)12(19)10-15(21)9-6-8-13(15)17-18-16/h11,13,21H,3-10H2,1-2H3/t11?,13-,15+/m0/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)O[C@@H](C)C(=O)N)(C)C=C)O
InChI: InChI=1S/C25H38N2O7/c1-7-23(5)12-17(34-22(32)27-21(31)33-15(4)20(26)30)24(6)13(2)8-10-25(14(3)19(23)29)11-9-16(28)18(24)25/h7,13-15,17-19,29H,1,8-12H2,2-6H3,(H2,26,30)(H,27,31,32)/t13?,14-,15-,17+,18-,19-,23+,24+,25-/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)N=[N+]=[N-])C)C
InChI: InChI=1S/C21H31N3O/c1-13(25)17-6-7-18-16-5-4-14-12-15(23-24-22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
SMILES: CCCCCCCCC/C=C/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C
InChI: InChI=1S/C32H48O6/c1-6-7-8-9-10-11-12-13-14-15-26(34)38-31-18-22(3)32(37)24(27(31)29(31,4)5)17-23(20-33)19-30(36)25(32)16-21(2)28(30)35/h14-17,22,24-25,27,33,36-37H,6-13,18-20H2,1-5H3/b15-14+/t22-,24+,25-,27-,30-,31+,32-/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]([C@H](CC2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H29NO2/c1-34-26-18-20-28-25(21-26)17-19-27(22-11-5-2-6-12-22)30(28)32-31(33)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,18,20-21,27,29-30H,17,19H2,1H3,(H,32,33)/t27-,30-/m1/s1
SMILES: C[C@@]12[C@@H](CCN1C(=O)N(C2=O)C3=CC=C(C4=CC=CC=C43)C#N)O
InChI: InChI=1S/C18H15N3O3/c1-18-15(22)8-9-20(18)17(24)21(16(18)23)14-7-6-11(10-19)12-4-2-3-5-13(12)14/h2-7,15,22H,8-9H2,1H3/t15-,18+/m1/s1
SMILES: CCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@H]2CN3CCCC3.Cl
InChI: InChI=1S/C23H36N2O3.ClH/c1-2-3-8-16-27-21-12-9-11-20(17-21)24-23(26)28-22-13-5-4-10-19(22)18-25-14-6-7-15-25;/h9,11-12,17,19,22H,2-8,10,13-16,18H2,1H3,(H,24,26);1H/t19-,22-;/m0./s1
SMILES: C/C=C/1\[C@@H]([C@@H]2[C@H](\C1=C/CCOS(=O)(=O)C3=CC=C(C=C3)C)NC(=O)O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H35NO6SSi/c1-8-18-19(10-9-15-29-32(27,28)17-13-11-16(2)12-14-17)20-22(30-23(26)25-20)21(18)31-33(6,7)24(3,4)5/h8,10-14,20-22H,9,15H2,1-7H3,(H,25,26)/b18-8-,19-10-/t20-,21-,22-/m0/s1
SMILES: CC1=C(C=CC(=C1)F)[C@H]2CN(CC[C@@H]2C(=O)N(C)[C@@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)NC[C@H](C)O
InChI: InChI=1S/C28H32F7N3O3/c1-15-9-21(29)5-6-22(15)24-14-38(26(41)36-13-16(2)39)8-7-23(24)25(40)37(4)17(3)18-10-19(27(30,31)32)12-20(11-18)28(33,34)35/h5-6,9-12,16-17,23-24,39H,7-8,13-14H2,1-4H3,(H,36,41)/t16-,17-,23-,24+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)[O-])C(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C15H16FNO3/c16-10-3-5-11(6-4-10)17-14(18)12-8-1-2-9(7-8)13(12)15(19)20/h3-6,8-9,12-13H,1-2,7H2,(H,17,18)(H,19,20)/p-1/t8-,9+,12-,13+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1C2=C[C@H]3[C@H]4[C@]2(CC1(C)C)[C@H]5[C@H](C4)[C@@H]5C(=O)C3=O
InChI: InChI=1S/C25H38O3Si/c1-12(2)29(13(3)4,14(5)6)28-23-18-9-15-17-10-16-19(22(27)21(15)26)20(16)25(17,18)11-24(23,7)8/h9,12-17,19-20,23H,10-11H2,1-8H3/t15-,16+,17-,19-,20-,23-,25-/m0/s1
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)C(=O)OC
InChI: InChI=1S/C17H21NO7S/c1-8-11(16(22)24-2)14(26-12(8)17(23)25-3)18-13(19)9-6-4-5-7-10(9)15(20)21/h9-10H,4-7H2,1-3H3,(H,18,19)(H,20,21)/t9-,10-/m0/s1
SMILES: COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])OC
InChI: InChI=1S/C16H19NO7/c1-22-12-6-10(16(21)24-3)11(7-13(12)23-2)17-14(18)8-4-5-9(8)15(19)20/h6-9H,4-5H2,1-3H3,(H,17,18)(H,19,20)/p-1/t8-,9+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)Br)O
InChI: InChI=1S/C17H22BrNO4/c1-10-5-3-4-6-14(10)19-16(21)11(2)23-17(22)13-9-12(18)7-8-15(13)20/h7-11,14,20H,3-6H2,1-2H3,(H,19,21)/t10-,11+,14+/m0/s1
SMILES: CCN(CC)/C=C/1\C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4(C3CC[C@@H]4O)C)O)O
InChI: InChI=1S/C25H35NO7/c1-6-26(7-2)11-13-19-22(30)21(29)18-14-8-9-16(28)24(14,3)10-15(27)20(18)25(19,4)17(12-32-5)33-23(13)31/h11,14-17,27-28,30H,6-10,12H2,1-5H3/b13-11+/t14?,15-,16+,17-,24+,25+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OCC(C)(C)C)[S@@](=O)N[C@@H](CC=C)C3=CC=CC=C3
InChI: InChI=1S/C25H39NO2S/c1-8-12-20(18-13-10-9-11-14-18)26-29(27)21-19-15-16-25(7,24(19,5)6)22(21)28-17-23(2,3)4/h8-11,13-14,19-22,26H,1,12,15-17H2,2-7H3/t19-,20+,21-,22-,25+,29-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@](S1)(CCCCC(=O)O)C(=O)NCCCCCC(=O)NCCCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O)NC(=O)N2
InChI: InChI=1S/C27H41N5O12S2/c33-19(28-13-7-2-4-11-22(37)44-32-20(34)15-18(24(32)38)46(41,42)43)9-3-1-8-14-29-25(39)27(12-6-5-10-21(35)36)23-17(16-45-27)30-26(40)31-23/h17-18,23H,1-16H2,(H,28,33)(H,29,39)(H,35,36)(H2,30,31,40)(H,41,42,43)/t17-,18?,23-,27-/m0/s1
SMILES: C[C@H]([C@H]1C[C@@H](O[C@@H]1CCC2=CC=CC=C2)OC)C(=O)OC
InChI: InChI=1S/C17H24O4/c1-12(17(18)20-3)14-11-16(19-2)21-15(14)10-9-13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t12-,14-,15-,16-/m1/s1
SMILES: C[C@]12C[C@@H]([C@]3(C(C1CC[C@@]2(C(=O)S[C@H]4CCOC4=O)OC(=O)C5CCOC5)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O
InChI: InChI=1S/C29H34F2O8S/c1-26-7-3-16(32)11-19(26)20(30)12-18-17-4-8-28(39-23(34)15-5-9-37-14-15,25(36)40-21-6-10-38-24(21)35)27(17,2)13-22(33)29(18,26)31/h3,7,11,15,17-18,20-22,33H,4-6,8-10,12-14H2,1-2H3/t15?,17?,18?,20-,21-,22-,26-,27-,28-,29-/m0/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C(=CC=C4)Cl)NC3=O)N[C@H]2[C@@H](C)O
InChI: InChI=1S/C19H22ClN3O4/c1-3-4-8-23-16(25)12-13(17(23)26)19(22-14(12)9(2)24)10-6-5-7-11(20)15(10)21-18(19)27/h5-7,9,12-14,22,24H,3-4,8H2,1-2H3,(H,21,27)/t9-,12+,13+,14+,19+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=CC=C5C=C6CCC7[C@](O7)(CC[C@@H]8[C@@H]6CC8(C)C)C)C(=O)N(C)[C@H](CC9=CC=CC=C9)C(=O)NCCO)CCCCC
InChI: InChI=1S/C54H75N3O9/c1-7-9-16-25-53(26-17-10-8-2)64-44-42-33-54(50(61)56(6)41(48(59)55-28-29-58)30-35-18-12-11-13-19-35)46(49(60)62-42)57(66-47(54)45(44)65-53)34-38-21-15-14-20-36(38)31-37-22-23-43-52(5,63-43)27-24-40-39(37)32-51(40,3)4/h11-15,18-21,31,39-47,58H,7-10,16-17,22-30,32-34H2,1-6H3,(H,55,59)/t39-,40-,41-,42-,43?,44+,45+,46+,47-,52-,54+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(OCC(F)(F)F)OCC(F)(F)F)CO)F
InChI: InChI=1S/C14H15F7N2O6/c15-7-1-9(29-8(7)3-24)23-2-6(10(25)22-12(23)26)11(27-4-13(16,17)18)28-5-14(19,20)21/h2,7-9,11,24H,1,3-5H2,(H,22,25,26)/t7-,8+,9+/m0/s1
SMILES: [CH3-].CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C.Cl[Pt+]
InChI: InChI=1S/C31H32O2P2.CH3.ClH.Pt/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-22,29-30H,23-24H2,1-2H3;1H3;1H;/q;-1;;+2/p-1/t29-,30-;;;/m0.../s1
SMILES: C1[C@@H]([C@H](O[C@H]1C2C=C(C(=O)NC2=O)C3=CC=CO3)CO)O
InChI: InChI=1S/C14H15NO6/c16-6-12-9(17)5-11(21-12)8-4-7(10-2-1-3-20-10)13(18)15-14(8)19/h1-4,8-9,11-12,16-17H,5-6H2,(H,15,18,19)/t8?,9-,11+,12+/m0/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17-,19-,21+,22-,23+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H](C(=O)C[C@]1(C2=C(OC=C2)[Si](C)(C)C)O)C
InChI: InChI=1S/C17H26O5Si/c1-6-21-15(19)13-9-11(2)14(18)10-17(13,20)12-7-8-22-16(12)23(3,4)5/h7-8,11,13,20H,6,9-10H2,1-5H3/t11-,13-,17+/m0/s1
SMILES: C[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F)OC)Cl
InChI: InChI=1S/C11H16ClFN2O5/c1-11(12)8(17)14-10(18)15(9(11)19-2)7-3-5(13)6(4-16)20-7/h5-7,9,16H,3-4H2,1-2H3,(H,14,17,18)/t5-,6+,7+,9+,11-/m0/s1
SMILES: CCCCC#CCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC
InChI: InChI=1S/C31H44N2O5/c1-4-6-7-8-9-13-21-38-31(36)28-22-25-17-14-18-27(25)33(28)29(34)23(3)32-26(30(35)37-5-2)20-19-24-15-11-10-12-16-24/h10-12,15-16,23,25-28,32H,4-7,13-14,17-22H2,1-3H3/t23-,25-,26-,27-,28-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NN4C(=N3)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C29H24N6O7/c30-28-33-34(29-31-17-32-35(28)29)24-23(42-27(38)20-14-8-3-9-15-20)22(41-26(37)19-12-6-2-7-13-19)21(40-24)16-39-25(36)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H2,30,33)/t21-,22-,23-,24-/m1/s1
SMILES: [H][C@@]([3H])([C@]12CCCCC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI: InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h5,14-16,20H,2-4,6-12H2,1H3/t14-,15-,16-,18-,19+/m0/s1/i12T/t12-,14+,15+,16+,18+,19-/m1
SMILES: C[C@]1(C=CC2=CC=CC=C2[C@@H]1N3CCC(=O)CC3)C4=N[C@H](CO4)C(C)(C)C
InChI: InChI=1S/C23H30N2O2/c1-22(2,3)19-15-27-21(24-19)23(4)12-9-16-7-5-6-8-18(16)20(23)25-13-10-17(26)11-14-25/h5-9,12,19-20H,10-11,13-15H2,1-4H3/t19-,20+,23-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)C(=O)OC)OC(O3)(C)C)C
InChI: InChI=1S/C14H22O7/c1-13(2)17-6-7(19-13)8-9-10(21-14(3,4)20-9)11(18-8)12(15)16-5/h7-11H,6H2,1-5H3/t7-,8-,9+,10+,11+/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C(=CC=C2)[N+](=O)[O-])NC(=NCC3=CC=CC=C3)NC#N)O)C(OC)OC
InChI: InChI=1S/C22H25N5O6/c1-22(20(31-2)32-3)19(28)17(15-10-7-11-16(27(29)30)18(15)33-22)26-21(25-13-23)24-12-14-8-5-4-6-9-14/h4-11,17,19-20,28H,12H2,1-3H3,(H2,24,25,26)/t17-,19+,22?/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NCC7=CC(=CC=C7)C(=O)NCCO)C
InChI: InChI=1S/C46H44N2O11/c1-45(2)28-55-44(54)40(45)57-38(50)21-20-30-13-9-10-19-35(30)43(53)56-36-25-32(42(52)48-27-29-12-11-14-31(24-29)41(51)47-22-23-49)26-37-39(36)59-46(58-37,33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-21,24,26,36-37,39-40,49H,22-23,25,27-28H2,1-2H3,(H,47,51)(H,48,52)/t36-,37-,39+,40+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CSC3=NN=C(N3N)CC4=CC=C(C=C4)F
InChI: InChI=1S/C20H26FN5OS/c21-16-9-7-14(8-10-16)12-18-23-24-20(26(18)22)28-13-19(27)25-11-3-5-15-4-1-2-6-17(15)25/h7-10,15,17H,1-6,11-13,22H2/t15-,17-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(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: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C17H22ClNO3/c1-11-6-5-9-15(12(11)2)19-16(20)10-22-17(21)13-7-3-4-8-14(13)18/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,19,20)/t11-,12+,15+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC=C)N2C(=O)C3=CC=CC=C3C2=O)F)COCC4=CC=CC=C4
InChI: InChI=1S/C30H38FNO6Si/c1-7-17-36-26-24(32-28(33)21-15-11-12-16-22(21)29(32)34)27(31)37-23(19-35-18-20-13-9-8-10-14-20)25(26)38-39(5,6)30(2,3)4/h7-16,23-27H,1,17-19H2,2-6H3/t23-,24-,25-,26-,27-/m1/s1
SMILES: CC(C)OC(=O)[C@]1(CSC2([C@]1(C#N)C(=O)OC(C)C)C(CC2(C)C)(C)C)C#N
InChI: InChI=1S/C21H30N2O4S/c1-13(2)26-15(24)19(10-22)12-28-21(17(5,6)9-18(21,7)8)20(19,11-23)16(25)27-14(3)4/h13-14H,9,12H2,1-8H3/t19-,20-/m1/s1
SMILES: C1=CC(=C(C=C1CCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)I)N
InChI: InChI=1S/C18H21IN6O4/c19-10-5-9(1-2-11(10)20)3-4-21-16-13-17(23-7-22-16)25(8-24-13)18-15(28)14(27)12(6-26)29-18/h1-2,5,7-8,12,14-15,18,26-28H,3-4,6,20H2,(H,21,22,23)/t12-,14-,15-,18-/m1/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@@H]2[C@H](C4=C(C(=CC=C4)OC)F)O)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H26F2N2O2/c1-26-14-16-15-29-30(19-11-9-18(27)10-12-19)22(16)13-17(26)5-3-7-21(26)25(31)20-6-4-8-23(32-2)24(20)28/h4,6,8-13,15,21,25,31H,3,5,7,14H2,1-2H3/t21-,25+,26+/m1/s1
SMILES: C[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C24H21NO5/c1-15(21(26)16-7-3-2-4-8-16)30-24(29)17-11-13-18(14-12-17)25-22(27)19-9-5-6-10-20(19)23(25)28/h2-8,11-15,19-20H,9-10H2,1H3/t15-,19-,20+/m1/s1
SMILES: CCOC(=O)C1=C(SC2=C1CC[C@@H]3[C@@H]2C(=O)N(C3=O)C4CCCCC4)N
InChI: InChI=1S/C19H24N2O4S/c1-2-25-19(24)14-11-8-9-12-13(15(11)26-16(14)20)18(23)21(17(12)22)10-6-4-3-5-7-10/h10,12-13H,2-9,20H2,1H3/t12-,13+/m1/s1
SMILES: CCC1(CC[C@H]2[C@@H]([C@@H](C[C@@H]3[C@@]2(CCCC3(C)C)C)Br)[C@@H](O1)O)C
InChI: InChI=1S/C20H35BrO2/c1-6-19(4)11-8-13-16(17(22)23-19)14(21)12-15-18(2,3)9-7-10-20(13,15)5/h13-17,22H,6-12H2,1-5H3/t13-,14+,15-,16-,17+,19?,20+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@H](C/C=C(\CC2C1C2)/C(F)(F)F)/C(=C/C3=CSC(=N3)C)/C)O)(C)C)C)O
InChI: InChI=1S/C28H38F3NO5S/c1-14(9-20-13-38-17(4)32-20)22-8-7-19(28(29,30)31)10-18-11-21(18)15(2)25(35)16(3)26(36)27(5,6)23(33)12-24(34)37-22/h7,9,13,15-16,18,21-23,25,33,35H,8,10-12H2,1-6H3/b14-9+,19-7+/t15-,16+,18?,21?,22+,23-,25-/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)NC(=O)CCCCCNC(=O)C)CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C36H47N3O7/c1-24-33(22-39(3)21-32(43)28-9-8-12-31(42)20-28)45-36(46-35(24)27-16-14-26(23-40)15-17-27)29-10-7-11-30(19-29)38-34(44)13-5-4-6-18-37-25(2)41/h7-12,14-17,19-20,24,32-33,35-36,40,42-43H,4-6,13,18,21-23H2,1-3H3,(H,37,41)(H,38,44)/t24-,32-,33+,35+,36+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[14C](=O)OC)CCC(=O)[C@]3(C)CCC(=O)O
InChI: InChI=1S/C20H30O5/c1-19-10-8-14-12(13(19)5-6-15(19)18(24)25-3)4-7-16(21)20(14,2)11-9-17(22)23/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14-,15+,19-,20+/m0/s1/i18+2
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
InChI: InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19+,20+,21+,23+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C(=O)/C=C/CC/C=C\[C@H](CC[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@@H](C4)O)O)CO)C
InChI: InChI=1S/C37H57NO10/c1-23(20-27-14-16-30(41)31(42)21-27)32-18-15-26(22-39)10-6-4-5-7-12-29(40)25(3)33-17-13-24(2)37(46,48-33)34(43)35(44)38-19-9-8-11-28(38)36(45)47-32/h6-7,10,12,23-28,30-33,39,41-42,46H,4-5,8-9,11,13-22H2,1-3H3/b10-6-,12-7+/t23-,24+,25+,26+,27-,28-,30+,31+,32-,33-,37+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@]1([C@@H]2CC[C@H]1C3=C(C(=O)O[C@H]23)CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C=C
InChI: InChI=1S/C35H48O4Si2/c1-8-35(39-40(9-2,10-3)11-4)29-22-23-30(35)32-31(29)28(33(36)38-32)24-25-37-41(34(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27/h8,12-21,29-30,32H,1,9-11,22-25H2,2-7H3/t29-,30+,32+,35-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](SC(=NN2)N)SC3=NN=C(S3)C4=CC=CC=C4
InChI: InChI=1S/C17H15N5S3/c18-16-21-19-13(11-7-3-1-4-8-11)15(24-16)25-17-22-20-14(23-17)12-9-5-2-6-10-12/h1-10,13,15,19H,(H2,18,21)/t13-,15+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NCC3=CC=CC=C3F
InChI: InChI=1S/C20H27FN2O2/c1-13-6-5-9-18(14(13)2)23-12-16(10-19(23)24)20(25)22-11-15-7-3-4-8-17(15)21/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3,(H,22,25)/t13-,14-,16-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(C)(C)C)C
InChI: InChI=1S/C23H36O2/c1-21(2,3)25-16-10-12-22(4)15(14-16)6-7-17-18-8-9-20(24)23(18,5)13-11-19(17)22/h6,16-19H,7-14H2,1-5H3/t16-,17+,18-,19-,22-,23-/m0/s1
SMILES: C[C@H]1[C@H](C[C@@H]([C@H]([C@H]1CO[Si](C)(C)C(C)(C)C)N)C2=CC=CC=C2)O
InChI: InChI=1S/C20H35NO2Si/c1-14-17(13-23-24(5,6)20(2,3)4)19(21)16(12-18(14)22)15-10-8-7-9-11-15/h7-11,14,16-19,22H,12-13,21H2,1-6H3/t14-,16-,17+,18+,19-/m1/s1
SMILES: COC1=C(C(=CC(=C1)C[NH+]2CCC[C@H]3[C@@H]2CCCC3)Br)O
InChI: InChI=1S/C17H24BrNO2/c1-21-16-10-12(9-14(18)17(16)20)11-19-8-4-6-13-5-2-3-7-15(13)19/h9-10,13,15,20H,2-8,11H2,1H3/p+1/t13-,15-/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H](N(C(=O)N([C@@H]2N(C(=O)N1C)CO)C)CO)C
InChI: InChI=1S/C12H22N4O4/c1-7-9-8(2)15(5-17)12(20)14(4)10(9)16(6-18)11(19)13(7)3/h7-10,17-18H,5-6H2,1-4H3/t7-,8-,9-,10+/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@@H]2C[C@@H]2C(F)(F)F)C(=O)NC3=CC4=CC=CC=C4N=C3
InChI: InChI=1S/C21H17F3N2O/c1-12-8-13(17-10-18(17)21(22,23)24)6-7-16(12)20(27)26-15-9-14-4-2-3-5-19(14)25-11-15/h2-9,11,17-18H,10H2,1H3,(H,26,27)/t17-,18-/m0/s1
SMILES: CC(C)[C@@H](CN[C@@H]1CCCC[C@H]1NC[C@H](C(C)C)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C54H62N4O2P2/c1-39(2)49(57-53(59)45-31-17-21-35-51(45)61(41-23-9-5-10-24-41)42-25-11-6-12-26-42)37-55-47-33-19-20-34-48(47)56-38-50(40(3)4)58-54(60)46-32-18-22-36-52(46)62(43-27-13-7-14-28-43)44-29-15-8-16-30-44/h5-18,21-32,35-36,39-40,47-50,55-56H,19-20,33-34,37-38H2,1-4H3,(H,57,59)(H,58,60)/t47-,48-,49-,50-/m1/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC2=CC=CC3=CC=CC=C32)CO)O)O
InChI: InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H23N3O2/c21-20(22)16-5-3-15(4-6-16)18-7-9-19(10-8-18)17-12-13-1-2-14(17)11-13/h3-6,13-14,17H,1-2,7-12H2/t13-,14-,17-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=C6)Cl)Cl)C7=CC=C(C=C7)OC)C(=O)N(C4=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C42H35Cl2N3O9/c1-19-14-21(15-20(2)36(19)49)35-26-11-12-28-34(39(52)46(37(28)50)24-7-10-27(40(53)54)33(48)17-24)29(26)18-30-38(51)47(45-32-13-6-23(43)16-31(32)44)41(55)42(30,35)22-4-8-25(56-3)9-5-22/h4-11,13-17,28-30,34-35,45,48-49H,12,18H2,1-3H3,(H,53,54)/t28-,29+,30-,34-,35-,42+/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C15H15F3N2O5/c1-7-5-10(7)14(22)25-8(2)13(21)19-12-4-3-9(20(23)24)6-11(12)15(16,17)18/h3-4,6-8,10H,5H2,1-2H3,(H,19,21)/t7-,8-,10+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@H]3CC(=O)[C@@H]([C@H]3CC/C=C\CCC(=O)O)N4CCOCC4
InChI: InChI=1S/C30H37NO5/c1-22-8-12-24(13-9-22)25-14-10-23(11-15-25)21-36-28-20-27(32)30(31-16-18-35-19-17-31)26(28)6-4-2-3-5-7-29(33)34/h2-3,8-15,26,28,30H,4-7,16-21H2,1H3,(H,33,34)/b3-2-/t26-,28-,30+/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCCOC)[C@@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C18H20ClN3O4/c1-9-12-13(16(24)22(15(12)23)7-4-8-26-2)18(21-9)10-5-3-6-11(19)14(10)20-17(18)25/h3,5-6,9,12-13,21H,4,7-8H2,1-2H3,(H,20,25)/t9-,12-,13+,18+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(C4)O
InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h12,14-16,19H,2-10H2,1H3/t12?,14-,15-,16+,18+/m1/s1
SMILES: COC(=O)C(=O)N1[C@@H]([C@H](C1=O)N2C(=O)C3=CC=CC=C3C2=O)Cl
InChI: InChI=1S/C14H9ClN2O6/c1-23-14(22)13(21)17-9(15)8(12(17)20)16-10(18)6-4-2-3-5-7(6)11(16)19/h2-5,8-9H,1H3/t8-,9+/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H](C([C@@H]([C@@H](C2OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6
InChI: InChI=1S/C43H46O8/c1-45-36-22-18-34(19-23-36)29-49-41-39(47-26-31-12-6-3-7-13-31)38(44)40(48-27-32-14-8-4-9-15-32)42(43(41)51-28-33-16-10-5-11-17-33)50-30-35-20-24-37(46-2)25-21-35/h3-25,38-44H,26-30H2,1-2H3/t38?,39-,40-,41-,42+,43?/m0/s1