EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@@H]([C@@H]2[C@H]([C@@H](N1)C(=O)NCC3=CC=CC=C3)OC(O2)(C)C)O
InChI: InChI=1S/C17H24N2O4/c1-10-13(20)15-14(22-17(2,3)23-15)12(19-10)16(21)18-9-11-7-5-4-6-8-11/h4-8,10,12-15,19-20H,9H2,1-3H3,(H,18,21)/t10-,12-,13+,14+,15-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)OC(=S)SC
InChI: InChI=1S/C17H24O4S2/c1-12-15(19-16(22)23-4)14(21-17(2,3)20-12)11-18-10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t12-,14-,15+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CO[C@@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)O)C
InChI: InChI=1S/C28H32O10/c1-28(2)37-24-23(29)21(36-27(24)38-28)16-32-22-13-19(14-33-25(30)17-9-5-3-6-10-17)20(35-22)15-34-26(31)18-11-7-4-8-12-18/h3-12,19-24,27,29H,13-16H2,1-2H3/t19-,20-,21-,22+,23+,24-,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=CC(=C2/C=C/C(=O)C3=CC=C(C=C3)O)O)O)O)O)O
InChI: InChI=1S/C23H24O11/c1-11(24)32-10-19-20(29)21(30)22(31)23(34-19)33-18-9-14(26)8-17(28)15(18)6-7-16(27)12-2-4-13(25)5-3-12/h2-9,19-23,25-26,28-31H,10H2,1H3/b7-6+/t19-,20-,21+,22-,23-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(C(=O)O)O)O)O)O
InChI: InChI=1S/C25H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-24-23(28)22(27)21(26)20(35-24)19-34-36(31,32)25(29)30/h20-24,26-28H,2-19H2,1H3,(H,29,30)(H,31,32)/t20-,21-,22+,23-,24+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC=C5OC)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H28ClFN2O9/c1-35-21(31(43)39(34(35)47)15-7-11-23(37)22(36)12-15)14-20-17(29(35)28-24(40)4-3-5-26(28)48-2)9-10-19-27(20)32(44)38(30(19)42)16-6-8-18(33(45)46)25(41)13-16/h3-9,11-13,19-21,27,29,40-41H,10,14H2,1-2H3,(H,45,46)/t19-,20+,21-,27-,29+,35+/m0/s1
SMILES: C[C@@H]1C[C@H](O[C@H]1/C(=C/CCOCC2=CC=C(C=C2)OC)/C)CC=C
InChI: InChI=1S/C21H30O3/c1-5-7-20-14-17(3)21(24-20)16(2)8-6-13-23-15-18-9-11-19(22-4)12-10-18/h5,8-12,17,20-21H,1,6-7,13-15H2,2-4H3/b16-8+/t17-,20-,21+/m1/s1
SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6=O)SCSC7=NN(N=N7)C)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C52H47N9O8S4/c1-51(2,3)68-50(65)55-48-53-38(30-70-48)40(58-69-52(35-24-14-7-15-25-35,36-26-16-8-17-27-36)37-28-18-9-19-29-37)44(62)54-41-45(63)61-42(39(31-73(66)46(41)61)71-32-72-49-56-59-60(4)57-49)47(64)67-43(33-20-10-5-11-21-33)34-22-12-6-13-23-34/h5-30,41,43,46H,31-32H2,1-4H3,(H,54,62)(H,53,55,65)/b58-40-/t41-,46-,73?/m1/s1
SMILES: C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4C56[C@H]2[C@@H]1CCC35COC(=O)CC6
InChI: InChI=1S/C22H31NO2/c1-14-11-23-12-16-6-5-15-3-2-4-18(15)22-10-8-19(24)25-13-21(16,22)9-7-17(14)20(22)23/h4,14-17,20H,2-3,5-13H2,1H3/t14-,15-,16-,17-,20-,21?,22?/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C/C=C/C[N+]5=CC=CC=C5.[I-]
InChI: InChI=1S/C30H30N6O6S2.HI/c1-40-21-11-9-19(10-12-21)16-42-29(39)25-20(8-4-7-15-35-13-5-3-6-14-35)17-43-28-24(27(38)36(25)28)33-26(37)23(34-41-2)22-18-44-30(31)32-22;/h3-7,9-14,18,24,28H,8,15-17H2,1-2H3,(H2-,31,32,33,37);1H/b7-4+,34-23-;/t24-,28-;/m1./s1
SMILES: C[C@@H]1CCC2=NN([C@@]([C@H]2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3C
InChI: InChI=1S/C18H21F3N2O3/c1-11-7-8-14-13(9-11)17(25,18(19,20)21)23(22-14)16(24)10-26-15-6-4-3-5-12(15)2/h3-6,11,13,25H,7-10H2,1-2H3/t11-,13+,17-/m1/s1
SMILES: CCOC(=O)NC1=C2[C@@H](CC[C@H]3[C@@]2(CC[C@H](C3)OC(=O)C4=CC=CC=C4)C)[C@@H]5CC[C@@H]([C@]5(C1=O)C)[C@H](C)CCC(=O)OC
InChI: InChI=1S/C35H47NO7/c1-6-42-33(40)36-30-29-25(27-16-15-26(35(27,4)31(30)38)21(2)12-17-28(37)41-5)14-13-23-20-24(18-19-34(23,29)3)43-32(39)22-10-8-7-9-11-22/h7-11,21,23-27H,6,12-20H2,1-5H3,(H,36,40)/t21-,23-,24-,25+,26-,27+,34+,35-/m1/s1
SMILES: CC[C@H]1CC[C@@H]2[C@](C1=O)(C3=CC=CC=C3N2CC4=CC=CC=C4)C
InChI: InChI=1S/C22H25NO/c1-3-17-13-14-20-22(2,21(17)24)18-11-7-8-12-19(18)23(20)15-16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3/t17-,20+,22+/m0/s1
SMILES: CC(=C[C@@H]1[C@@H](CC2=CNC3=CC=CC1=C23)[N+](=O)[O-])C
InChI: InChI=1S/C15H16N2O2/c1-9(2)6-12-11-4-3-5-13-15(11)10(8-16-13)7-14(12)17(18)19/h3-6,8,12,14,16H,7H2,1-2H3/t12-,14+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C=C6)O)F)C(=O)N(C5=O)C7=CC(=C(C=C7)C(=O)O)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H30Cl2FN3O9/c1-55-22-7-3-19(4-8-22)40-27(36(50)46(39(40)54)44-30-12-5-20(41)15-28(30)42)17-26-23(34(40)18-2-13-31(47)29(43)14-18)10-11-25-33(26)37(51)45(35(25)49)21-6-9-24(38(52)53)32(48)16-21/h2-10,12-16,25-27,33-34,44,47-48H,11,17H2,1H3,(H,52,53)/t25-,26+,27-,33-,34-,40+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)C(=O)O
InChI: InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12-6-4-5(9(15)16)7(13)8(6)14/h5-8,13-14H,4H2,1-3H3,(H,12,17)(H,15,16)/t5-,6+,7+,8-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC4=CC=CC=C4S3
InChI: InChI=1S/C22H25N3O3S/c1-4-28-22(27)18-10-16(18)12-25(13-17-9-14(2)24(3)23-17)21(26)20-11-15-7-5-6-8-19(15)29-20/h5-9,11,16,18H,4,10,12-13H2,1-3H3/t16-,18+/m1/s1
SMILES: CC(C)(C)SSC[C@@H](C(=O)NC[C@@H]1CC[C@@H]([C@H](O1)CN[C@@H](CCSC)C(=O)O)OCC2=CC=CC=C2)N
InChI: InChI=1S/C26H43N3O5S3/c1-26(2,3)37-36-17-20(27)24(30)29-14-19-10-11-22(33-16-18-8-6-5-7-9-18)23(34-19)15-28-21(25(31)32)12-13-35-4/h5-9,19-23,28H,10-17,27H2,1-4H3,(H,29,30)(H,31,32)/t19-,20-,21-,22-,23+/m0/s1
SMILES: CO[C@H]1CC(=O)C[C@@H]2[C@H]1C(=O)C3=C(C2=O)C(=CC(=N3)C4=CC=CC=C4)OC
InChI: InChI=1S/C21H19NO5/c1-26-15-9-12(23)8-13-17(15)21(25)19-18(20(13)24)16(27-2)10-14(22-19)11-6-4-3-5-7-11/h3-7,10,13,15,17H,8-9H2,1-2H3/t13-,15+,17-/m1/s1
SMILES: CN1C2=C([C@H]([C@@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC=CC6=CC=CC=C65)C(=O)N(C1=O)C
InChI: InChI=1S/C26H19N3O3/c1-28-24-21(25(31)29(2)26(28)32)19(16-13-7-9-14-8-3-4-10-15(14)16)20-22(27-24)17-11-5-6-12-18(17)23(20)30/h3-13,19-20H,1-2H3/t19-,20+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)O[C@@H](C)C(=O)NCC2=CC=C(C=C2)C
InChI: InChI=1S/C20H26N2O6/c1-12-4-6-15(7-5-12)10-21-20(25)14(3)28-19(24)9-16-17(11-22(26)27)13(2)8-18(16)23/h4-7,13-14,16-17H,8-11H2,1-3H3,(H,21,25)/t13-,14+,16+,17-/m1/s1
SMILES: CC(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC[18F])OC)O
InChI: InChI=1S/C24H32FNO4/c1-21(2,28)16-13-22-6-7-24(16,29-3)20-23(22)8-10-26(11-9-25)17(22)12-14-4-5-15(27)19(30-20)18(14)23/h4-5,16-17,20,27-28H,6-13H2,1-3H3/t16-,17-,20-,22-,23+,24-/m1/s1/i25-1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC3=CC=CC=C3N2
InChI: InChI=1S/C19H23N3O4/c1-12-6-2-4-8-14(12)21-19(25)22-17(23)11-26-18(24)16-10-13-7-3-5-9-15(13)20-16/h3,5,7,9-10,12,14,20H,2,4,6,8,11H2,1H3,(H2,21,22,23,25)/t12-,14-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)NC3=CC=CC=C3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)CC5=C(C=CC=C5Cl)F)C
InChI: InChI=1S/C41H50ClFN2O5/c1-28-10-8-20-40(2)35(19-21-41(40,49)27-45(22-9-23-50-3)39(48)44-30-11-5-4-6-12-30)32-18-16-29(24-31(46)17-15-28)25-33(32)38(47)26-34-36(42)13-7-14-37(34)43/h4-7,10-14,16,18,25,31,35,46,49H,8-9,15,17,19-24,26-27H2,1-3H3,(H,44,48)/t31-,35-,40-,41+/m0/s1
SMILES: C/C(=N\NC(=O)[C@H]1C[C@@H]1C2=CC=C(C=C2)C(C)(C)C)/C=C/C=C/C3=CC=CC=C3
InChI: InChI=1S/C26H30N2O/c1-19(10-8-9-13-20-11-6-5-7-12-20)27-28-25(29)24-18-23(24)21-14-16-22(17-15-21)26(2,3)4/h5-17,23-24H,18H2,1-4H3,(H,28,29)/b10-8+,13-9+,27-19+/t23-,24+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@H](O[C@H]1[C@@H]([C@@H](/C(=C/[C@@H](C)C(SC)S(=O)(=O)C2=CC=CC=C2)/C)OCC3=CC=C(C=C3)OC)OC)OC)C
InChI: InChI=1S/C32H46O7S2/c1-21(19-24(4)32(40-8)41(33,34)27-12-10-9-11-13-27)28(38-20-25-14-16-26(35-5)17-15-25)30(36-6)29-22(2)18-23(3)31(37-7)39-29/h9-17,19,22-24,28-32H,18,20H2,1-8H3/b21-19+/t22-,23+,24-,28-,29-,30-,31-,32?/m1/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)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=C(C(=CC=C6)OC)O)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H33Cl3F3N5O7/c1-50(35-27(43)14-16-31(48-35)41(45,46)47)52-36(54)23-13-12-22-25(32(23)38(52)56)18-26-37(55)51(49-29-15-9-20(42)17-28(29)44)39(57)40(26,19-7-10-21(58-2)11-8-19)33(22)24-5-4-6-30(59-3)34(24)53/h4-12,14-17,23,25-26,32-33,49,53H,13,18H2,1-3H3/t23-,25+,26-,32-,33+,40+/m0/s1
SMILES: C[C@@H]1CCC/C=C/C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C
InChI: InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8+,17-13+/t16-,18-,21+,22+,24+/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)CCC(=O)NCCC5=CN=CN5)C)C
InChI: InChI=1S/C36H57N3O3/c1-24(2)7-6-8-25(3)30-11-12-31-29-10-9-26-21-28(15-18-35(26,4)32(29)16-19-36(30,31)5)42-34(41)14-13-33(40)38-20-17-27-22-37-23-39-27/h9,22-25,28-32H,6-8,10-21H2,1-5H3,(H,37,39)(H,38,40)/t25-,28+,29+,30-,31+,32+,35+,36-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)NCCC(=O)O
InChI: InChI=1S/C24H24N2O5/c1-31-24(30)15-7-5-14(6-8-15)22-18-4-2-3-17(18)19-13-16(9-10-20(19)26-22)23(29)25-12-11-21(27)28/h2-3,5-10,13,17-18,22,26H,4,11-12H2,1H3,(H,25,29)(H,27,28)/t17-,18+,22+/m1/s1
SMILES: C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24N2O3/c24-19(22-18-11-5-7-14-6-1-2-8-15(14)18)12-13-23-20(25)16-9-3-4-10-17(16)21(23)26/h1-4,6,8,16-18H,5,7,9-13H2,(H,22,24)/t16-,17-,18-/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)OC(=O)C)C)C
InChI: InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N2C(=O)COCC2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H21NO11/c1-7(18)25-4-10-14(26-8(2)19)15(27-9(3)20)13(16(23)28-10)17-11(21)5-24-6-12(17)22/h10,13-16,23H,4-6H2,1-3H3/t10-,13-,14-,15-,16-/m1/s1
SMILES: COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C33H28N2O3S/c1-38-32(37)29-27(23-14-6-2-7-15-23)22-39-31-28(30(36)35(29)31)34-33(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,28,31,34H,22H2,1H3/t28-,31-/m1/s1
SMILES: CC(=O)N1[C@@H]2CC[C@@]34CCCN5[C@]3([C@]2(CC5)C6=CC=CC=C61)OCC4
InChI: InChI=1S/C21H26N2O2/c1-15(24)23-17-6-3-2-5-16(17)20-10-13-22-12-4-8-19(9-7-18(20)23)11-14-25-21(19,20)22/h2-3,5-6,18H,4,7-14H2,1H3/t18-,19-,20-,21+/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3([C@@]4(CC[C@@H]5[C@@]([C@H]4[C@@H]([C@@H]6[C@@]3([C@@H]2[C@H]1C)O6)OO)(CC[C@@H](C5(C)C)OC(=O)C)C)C)C)C
InChI: InChI=1S/C32H52O5/c1-18-10-13-28(6)16-17-31(9)30(8)15-11-21-27(4,5)22(35-20(3)33)12-14-29(21,7)25(30)23(37-34)26-32(31,36-26)24(28)19(18)2/h18-19,21-26,34H,10-17H2,1-9H3/t18-,19+,21+,22+,23+,24-,25-,26-,28-,29+,30-,31+,32-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C)Cl)Cl)C(=O)N(C4=O)O
InChI: InChI=1S/C23H22Cl2N2O6/c1-9-6-11(7-10(2)17(9)28)16-12-4-5-13-15(19(30)27(33)18(13)29)14(12)8-22(24)20(31)26(3)21(32)23(16,22)25/h4,6-7,13-16,28,33H,5,8H2,1-3H3/t13-,14+,15-,16-,22+,23-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@]23C[C@H]1CC[C@H]2[C@]45CC[C@H]([C@@]([C@H]4[C@@H]3C(=O)OC)(C(=O)O5)COCC6=CC=CC=C6)O
InChI: InChI=1S/C32H46O7Si/c1-29(2,3)40(5,6)39-22-17-30-16-21(22)12-13-23(30)32-15-14-24(33)31(28(35)38-32,26(32)25(30)27(34)36-4)19-37-18-20-10-8-7-9-11-20/h7-11,21-26,33H,12-19H2,1-6H3/t21-,22+,23-,24-,25-,26-,30-,31+,32-/m1/s1
SMILES: C[C@]12CC[C@H](C1(C)C)[C@H](C2=O)CO.C1[C@@H]2C=C[C@H]1[C@H]([C@@H]2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.[Rh]
InChI: InChI=1S/C31H28P2.C11H18O2.Rh/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29;1-10(2)8-4-5-11(10,3)9(13)7(8)6-12;/h1-22,24-25,30-31H,23H2;7-8,12H,4-6H2,1-3H3;/t24-,25+,30-,31-;7-,8+,11-;/m11./s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@@H](C(=O)N(C)CC3=CC=CC=C3)O)C(=O)O)C
InChI: InChI=1S/C18H22N2O5S/c1-18(2)13(17(24)25)20-14(22)11(16(20)26-18)12(21)15(23)19(3)9-10-7-5-4-6-8-10/h4-8,11-13,16,21H,9H2,1-3H3,(H,24,25)/t11-,12+,13+,16-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)C(C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COC(=O)CCCCCNC2=C3C(=C(C=C2)[N+](=O)[O-])NC4=CC=CC=C4C3=O)O)NC(=O)C
InChI: InChI=1S/C38H49N7O15/c1-18(36(53)44-24(35(39)52)13-15-27(47)48)41-37(54)19(2)59-34-31(42-20(3)46)38(55)60-26(33(34)51)17-58-28(49)11-5-4-8-16-40-23-12-14-25(45(56)57)30-29(23)32(50)21-9-6-7-10-22(21)43-30/h6-7,9-10,12,14,18-19,24,26,31,33-34,38,40,51,55H,4-5,8,11,13,15-17H2,1-3H3,(H2,39,52)(H,41,54)(H,42,46)(H,43,50)(H,44,53)(H,47,48)/t18-,19?,24+,26+,31+,33+,34+,38+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1C(=O)CCC2=CC(=CC=C2)C(F)(F)F
InChI: InChI=1S/C16H17F3O3/c1-2-22-15(21)13-9-12(13)14(20)7-6-10-4-3-5-11(8-10)16(17,18)19/h3-5,8,12-13H,2,6-7,9H2,1H3/t12-,13-/m0/s1
SMILES: CN(C)CCN1C2=C(C3=CC=CC=C3C=C2)S[C@H]([C@H](C1=O)O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C24H26N2O3S/c1-25(2)14-15-26-20-13-10-16-6-4-5-7-19(16)23(20)30-22(21(27)24(26)28)17-8-11-18(29-3)12-9-17/h4-13,21-22,27H,14-15H2,1-3H3/t21-,22+/m1/s1
SMILES: C[C@]12CCC(=CC1=CC[C@@H]3[C@H]2C(=O)C[C@]4([C@H]3CC[C@@]45[C@@]6(COCO6)OCO5)C)OC
InChI: InChI=1S/C24H32O6/c1-21-8-6-16(26-3)10-15(21)4-5-17-18-7-9-23(22(18,2)11-19(25)20(17)21)24(30-14-28-23)12-27-13-29-24/h4,10,17-18,20H,5-9,11-14H2,1-3H3/t17-,18-,20-,21-,22-,23-,24+/m0/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)CN3CCCC4=CC=CC=C43
InChI: InChI=1S/C20H23N3O2/c1-14-11-17(14)19-9-8-16(25-19)12-21-22-20(24)13-23-10-4-6-15-5-2-3-7-18(15)23/h2-3,5,7-9,12,14,17H,4,6,10-11,13H2,1H3,(H,22,24)/b21-12-/t14-,17-/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5[N+](=O)[O-])OC)OC)C
InChI: InChI=1S/C27H25N3O7/c1-15-10-11-19(16(2)12-15)28-26(31)23-24(18-13-21(35-3)22(36-4)14-20(18)30(33)34)29(37-25(23)27(28)32)17-8-6-5-7-9-17/h5-14,23-25H,1-4H3/t23-,24+,25+/m1/s1
SMILES: CC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3
InChI: InChI=1S/C22H21N5O/c1-15(28)27-10-9-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)8-7-16-5-3-2-4-6-16/h2-6,9,19-20H,7-8,10,12,26H2,1H3/t19-,20-/m0/s1
SMILES: C[C@H]1[C@H]([C@@H]([Si](O[Si]1(C)C)(C)C)C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C16H26O3Si2/c1-12-14(16(17)18-2)15(13-10-8-7-9-11-13)21(5,6)19-20(12,3)4/h7-12,14-15H,1-6H3/t12-,14+,15-/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)C4=CC=CC(=C4)CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CSC6=CC=CC=C6OC
InChI: InChI=1S/C44H46N2O7S/c1-29-39(28-54-40-18-8-7-17-38(40)50-2)52-43(53-41(29)33-21-19-31(27-47)20-22-33)36-16-10-15-35(25-36)34-14-9-13-32(23-34)26-45-44(49)46-37(42(48)51-3)24-30-11-5-4-6-12-30/h4-23,25,29,37,39,41,43,47H,24,26-28H2,1-3H3,(H2,45,46,49)/t29-,37-,39+,41+,43+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N[C@H]2[C@@H](CC3=CC(=C(C=C3[C@@H]2C4=CC=CC=C4)OC)OC)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6
InChI: InChI=1S/C49H54N2O8/c1-55-40-28-35-27-39(48(53)50-37(25-15-21-32-17-9-6-10-18-32)26-16-22-33-19-11-7-12-20-33)45(44(34-23-13-8-14-24-34)38(35)31-41(40)56-2)51-49(54)46(52)36-29-42(57-3)47(59-5)43(30-36)58-4/h6-14,17-20,23-24,28-31,37,39,44-45H,15-16,21-22,25-27H2,1-5H3,(H,50,53)(H,51,54)/t39-,44+,45+/m1/s1
SMILES: CC12[C@H]3[C@H](C4=CC=CC5=C4C3=CC=C5)N(N1C6=CC=CC=C6)[C@@H]7[C@H]2C8=CC=CC9=C8C7=CC=C9
InChI: InChI=1S/C32H24N2/c1-32-28-22-15-5-9-19-11-7-17-24(26(19)22)30(28)33(34(32)21-13-3-2-4-14-21)31-25-18-8-12-20-10-6-16-23(27(20)25)29(31)32/h2-18,28-31H,1H3/t28-,29-,30+,31+/m1/s1
SMILES: C[C@H]1CO[C@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC=C(C=C4)NC(=O)C)C#N
InChI: InChI=1S/C18H17N5O3/c1-10-7-25-18(26-10)17(9-20)14(16(17,8-19)15(21)23-18)12-3-5-13(6-4-12)22-11(2)24/h3-6,10,14H,7H2,1-2H3,(H2,21,23)(H,22,24)/t10-,14+,16+,17+,18-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@H]6CCCO6)C[C@@H](CO)O)O)C(=C5)C(=O)C7=CC=CC=C7)O)C
InChI: InChI=1S/C37H51NO6/c1-33-13-10-26(40)19-35(33)16-17-37(29(20-35)32(42)25-7-4-3-5-8-25)30(33)11-14-34(2)31(37)12-15-36(34,43)24-38(21-27(41)23-39)22-28-9-6-18-44-28/h3-5,7-8,16-17,20,26-28,30-31,39-41,43H,6,9-15,18-19,21-24H2,1-2H3/t26?,27-,28+,30+,31+,33+,34-,35-,36+,37+/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)N[C@H]4CCCC[C@@H]4OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C39H44F3N5O6S/c40-39(41,42)29-19-21-30(22-20-29)54(50,51)46-36-23-33(38(49)44-32-16-8-10-18-35(32)53-26-28-13-5-2-6-14-28)47(45-36)24-37(48)43-31-15-7-9-17-34(31)52-25-27-11-3-1-4-12-27/h1-6,11-14,19-23,31-32,34-35H,7-10,15-18,24-26H2,(H,43,48)(H,44,49)(H,45,46)/t31-,32-,34-,35-/m0/s1
SMILES: C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC2CC2)CC3=CC=CC=C3)O)O)CC4=CC=CC=C4
InChI: InChI=1S/C26H32N2O3/c1-2-15-27-22(16-19-9-5-3-6-10-19)24(29)25(30)23(17-20-11-7-4-8-12-20)28(26(27)31)18-21-13-14-21/h2-12,21-25,29-30H,1,13-18H2/t22-,23-,24+,25+/m1/s1
SMILES: CCOC(C)O[C@@H](C#N)[C@H]1[C@@H](CC[C@]1(C)C/C=C(\C)/CC/C=C(\C)/CCl)C(C)(C)OC(C)OCC
InChI: InChI=1S/C29H50ClNO4/c1-10-32-23(5)34-26(20-31)27-25(28(7,8)35-24(6)33-11-2)16-18-29(27,9)17-15-21(3)13-12-14-22(4)19-30/h14-15,23-27H,10-13,16-19H2,1-9H3/b21-15+,22-14+/t23?,24?,25-,26+,27-,29+/m1/s1
SMILES: C[C@H](CCC(C(C)(C)O)(F)F)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3C4=C(CS3(=O)=O)[C@H](C[C@@H](C4)O)O)C
InChI: InChI=1S/C27H42F2O5S/c1-16(9-11-27(28,29)25(2,3)32)21-7-8-22-17(6-5-10-26(21,22)4)12-24-19-13-18(30)14-23(31)20(19)15-35(24,33)34/h12,16,18,21-24,30-32H,5-11,13-15H2,1-4H3/b17-12+/t16-,18-,21-,22+,23+,24?,26-/m1/s1
SMILES: C[C@H]1CC2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6CC(=O)CC[C@@]6([C@H]5CC4=C3C)C)C)N(C1)CCNC(=O)CCCCCNC(=O)CCC7=CC=CC=C7
InChI: InChI=1S/C44H63N3O4/c1-29-25-39-42(47(28-29)24-23-46-40(49)13-9-6-10-22-45-41(50)17-14-32-11-7-5-8-12-32)31(3)44(51-39)21-19-35-36-16-15-33-26-34(48)18-20-43(33,4)38(36)27-37(35)30(44)2/h5,7-8,11-12,15,29,31,35-36,38-39,42H,6,9-10,13-14,16-28H2,1-4H3,(H,45,50)(H,46,49)/t29-,31+,35-,36-,38-,39?,42-,43-,44-/m0/s1
SMILES: CC[C@@H]1[C@@](C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)OCCCCN3C=C(N=C3)C4=CN=CC=C4)(C)O
InChI: InChI=1S/C42H66N4O10/c1-12-33-42(8,51)38(53-19-14-13-18-46-23-31(44-24-46)30-16-15-17-43-22-30)27(4)34(47)25(2)21-41(7,52-11)37(28(5)35(48)29(6)39(50)55-33)56-40-36(49)32(45(9)10)20-26(3)54-40/h15-17,22-29,32-33,36-38,40,49,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38?,40+,41+,42-/m1/s1
SMILES: CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)O)C)C)CCC(C)CN6CCCC6
InChI: InChI=1S/C31H49NO2/c1-20(19-32-15-5-6-16-32)7-10-27-21(2)29-28(34-27)18-26-24-9-8-22-17-23(33)11-13-30(22,3)25(24)12-14-31(26,29)4/h8,20,23-26,28-29,33H,5-7,9-19H2,1-4H3/t20?,23-,24+,25-,26-,28-,29-,30-,31-/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C3([C@H]2OC(=O)C(CC4=CC=CC=C4)OC5=CC=CC=C5)CC6=CC=CC=C6C3
InChI: InChI=1S/C33H36O3/c1-31(2)28-18-19-32(31,3)30(33(28)21-24-14-10-11-15-25(24)22-33)36-29(34)27(20-23-12-6-4-7-13-23)35-26-16-8-5-9-17-26/h4-17,27-28,30H,18-22H2,1-3H3/t27?,28-,30-,32-/m0/s1
SMILES: CN[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=NC3=C(N=CN=C32)N)CO
InChI: InChI=1S/C11H16N6O3/c1-13-6-5(2-18)20-11(8(6)19)17-4-16-7-9(12)14-3-15-10(7)17/h3-6,8,11,13,18-19H,2H2,1H3,(H2,12,14,15)/t5-,6-,8+,11-/m1/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O
InChI: InChI=1S/C21H26ClN3O3/c1-10(2)8-14-15-16(18(27)25(17(15)26)20(3,4)5)21(24-14)12-9-11(22)6-7-13(12)23-19(21)28/h6-7,9-10,14-16,24H,8H2,1-5H3,(H,23,28)/t14-,15-,16+,21+/m1/s1
SMILES: CC1(COC(=N1)[C@@]2([C@H]3CN(CC3=C(C4=CC=CC=C42)OC)CC5=CC=CC=C5)CC6=CC=CC=C6)C
InChI: InChI=1S/C32H34N2O2/c1-31(2)22-36-30(33-31)32(18-23-12-6-4-7-13-23)27-17-11-10-16-25(27)29(35-3)26-20-34(21-28(26)32)19-24-14-8-5-9-15-24/h4-17,28H,18-22H2,1-3H3/t28-,32-/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCC(=O)O)Br)O
InChI: InChI=1S/C38H32BrNO8/c1-48-29-17-21(16-28(39)35(29)45)33-23-12-13-24-32(37(47)40(36(24)46)15-14-31(42)43)26(23)18-27-34(44)25(20-8-4-2-5-9-20)19-30(41)38(27,33)22-10-6-3-7-11-22/h2-12,16-17,19,24,26-27,32-33,45H,13-15,18H2,1H3,(H,42,43)/t24-,26+,27-,32-,33-,38-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)C)C(=C4C(=O)OC)C(=O)OC)C
InChI: InChI=1S/C35H50O6/c1-21(2)10-9-11-22(3)25-12-13-26-32(25,5)16-15-27-33(6)17-14-24(41-23(4)36)20-34(33)18-19-35(26,27)29(31(38)40-8)28(34)30(37)39-7/h15,18-19,21-22,24-26H,9-14,16-17,20H2,1-8H3/t22-,24+,25-,26-,32-,33-,34+,35+/m1/s1
SMILES: CCC(=O)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C17H22O5/c1-4-12(18)13-14(19-10-11-8-6-5-7-9-11)15-16(20-13)22-17(2,3)21-15/h5-9,13-16H,4,10H2,1-3H3/t13-,14+,15-,16-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[NH+]3[C@H]2[C@H]4[C@H](CC3)C5=CC=CC=C5N4
InChI: InChI=1S/C18H24N2/c1-2-6-13-12(5-1)11-20-10-9-15-14-7-3-4-8-16(14)19-17(15)18(13)20/h3-4,7-8,12-13,15,17-19H,1-2,5-6,9-11H2/p+1/t12-,13-,15+,17+,18+/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C[C@@]([C@@H]2C(=O)OC)(C)O)C(=O)OC
InChI: InChI=1S/C21H29NO6/c1-6-22(7-2)14-10-8-13(9-11-14)16-17(19(24)27-4)15(23)12-21(3,26)18(16)20(25)28-5/h8-11,16-18,26H,6-7,12H2,1-5H3/t16-,17+,18-,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=[N+]=[N-])C2=O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H20N2O2/c1-18-7-6-13-12-5-3-11(21)8-10(12)2-4-14(13)15(18)9-16(20-19)17(18)22/h3,5,8,13-15,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C22H21NO4/c24-20(14-15-6-2-1-3-7-15)27-17-12-10-16(11-13-17)23-21(25)18-8-4-5-9-19(18)22(23)26/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2/t18-,19+
SMILES: CC(=O)C1=C[N+](=CC=C1)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3C([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
InChI: InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/p+1/t12-,13-,15-,16?,17-,18-,21?,22-/m1/s1
SMILES: CSC1=C(C2=[N+]([C@H]3[C@@H](S2)CCC[C@@H]3I)C(=N1)N)C#N
InChI: InChI=1S/C12H13IN4S2/c1-18-10-6(5-14)11-17(12(15)16-10)9-7(13)3-2-4-8(9)19-11/h7-9,15H,2-4H2,1H3/p+1/t7-,8-,9+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@](C=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)(CC=C)O
InChI: InChI=1S/C34H62O3Si2/c1-14-19-34(35)23-24-22-25(36-38(10,11)30(2,3)4)17-20-32(24,8)27-18-21-33(9)26(29(27)34)15-16-28(33)37-39(12,13)31(5,6)7/h14,23,25-29,35H,1,15-22H2,2-13H3/t25-,26-,27-,28-,29-,32-,33-,34-/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)C4=CC=CC(=C4)CN)CSC5=NN=C(S5)C
InChI: InChI=1S/C29H31N3O3S2/c1-18-26(17-36-29-32-31-19(2)37-29)34-28(35-27(18)23-8-6-20(16-33)7-9-23)24-12-10-22(11-13-24)25-5-3-4-21(14-25)15-30/h3-14,18,26-28,33H,15-17,30H2,1-2H3/t18-,26+,27+,28+/m1/s1
SMILES: CC1(C[C@H]([C@H](N(O1)O[Si](C)(C)C(C)(C)C)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI: InChI=1S/C26H37NO3Si/c1-25(2,3)31(6,7)30-27-23(18-24(28)21-16-12-9-13-17-21)22(19-26(4,5)29-27)20-14-10-8-11-15-20/h8-17,22-23H,18-19H2,1-7H3/t22-,23+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CC=C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H34O5/c1-3-13-26-27(32-20-23-14-7-4-8-15-23)28(33-21-24-16-9-5-10-17-24)29(30(31-2)35-26)34-22-25-18-11-6-12-19-25/h3-12,14-19,26-30H,1,13,20-22H2,2H3/t26-,27-,28+,29+,30+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)C5=CC=CO5)C
InChI: InChI=1S/C19H26O5/c1-11-6-7-14-12(2)16(15-5-4-10-20-15)21-17-19(14)13(11)8-9-18(3,22-17)23-24-19/h4-5,10-14,16-17H,6-9H2,1-3H3/t11-,12-,13+,14+,16-,17-,18?,19-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](N=C(N2)N[N+](=O)[O-])OCC3=CC=CC=C3
InChI: InChI=1S/C17H18N4O4/c22-21(23)20-17-18-15(24-11-13-7-3-1-4-8-13)16(19-17)25-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H2,18,19,20)/t15-,16-/m1/s1
SMILES: C[C@@]12CC[C@@]3(CC[C@]1(O3)C(=C=C)[C@@H](C2)CC(=O)OC)OC
InChI: InChI=1S/C17H24O4/c1-5-13-12(10-14(18)19-3)11-15(2)6-7-16(20-4)8-9-17(13,15)21-16/h12H,1,6-11H2,2-4H3/t12-,15+,16-,17+/m1/s1
SMILES: CCCO[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3(C2C1=O)C)C4=COC=C4)C)C(=O)OC
InChI: InChI=1S/C24H32O7/c1-5-9-30-17-11-16(21(26)28-4)23(2)8-6-15-22(27)31-18(14-7-10-29-13-14)12-24(15,3)20(23)19(17)25/h7,10,13,15-18,20H,5-6,8-9,11-12H2,1-4H3/t15-,16-,17-,18-,20?,23-,24-/m0/s1