EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC1[C@@H]([C@@H]([C@H](O1)CN2C=C(C(=O)NC2=O)I)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H21IN2O9/c1-14(29)34-24-20(37-23(32)16-10-6-3-7-11-16)19(36-22(31)15-8-4-2-5-9-15)18(35-24)13-28-12-17(26)21(30)27-25(28)33/h2-12,18-20,24H,13H2,1H3,(H,27,30,33)/t18-,19-,20-,24?/m1/s1
SMILES: CC(=O)O[C@@H]1CCC[C@]2(C1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C
InChI: InChI=1S/C21H30O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h7,14-16,18H,4-6,8-12H2,1-3H3/t14-,15-,16-,18+,20+,21-/m0/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)CO[C@H](O5)C6=CC=CC=C6)O)O)O)O)Cl
InChI: InChI=1S/C36H40ClNO13/c1-19(39)38-24-14-21(12-13-23(24)37)16-46-35-30(43)28(41)33(25(48-35)17-45-27(40)15-20-8-4-2-5-9-20)51-36-31(44)29(42)32-26(49-36)18-47-34(50-32)22-10-6-3-7-11-22/h2-14,25-26,28-36,41-44H,15-18H2,1H3,(H,38,39)/t25-,26-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
SMILES: CC(=C(C)CC(=O)O[C@@H]1C=C[C@@]2([C@H](C1(C)C)CC(=O)O2)CO)C
InChI: InChI=1S/C18H26O5/c1-11(2)12(3)8-15(20)22-14-6-7-18(10-19)13(17(14,4)5)9-16(21)23-18/h6-7,13-14,19H,8-10H2,1-5H3/t13-,14+,18-/m0/s1
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@@H]3CCCC[C@H]3C
InChI: InChI=1S/C21H29N3O2S/c1-3-4-13-24-20(26)16-10-6-8-12-18(16)23-21(24)27-14-19(25)22-17-11-7-5-9-15(17)2/h6,8,10,12,15,17H,3-5,7,9,11,13-14H2,1-2H3,(H,22,25)/t15-,17-/m1/s1
SMILES: CC(=O)NC1([C@H]([C@H]2[C@@H]([C@H]1OS(=O)(=O)C)OC3(O2)CCCCC3)OS(=O)(=O)C)C
InChI: InChI=1S/C16H27NO9S2/c1-10(18)17-15(2)13(25-27(3,19)20)11-12(14(15)26-28(4,21)22)24-16(23-11)8-6-5-7-9-16/h11-14H,5-9H2,1-4H3,(H,17,18)/t11-,12+,13+,14-,15?
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)SC3=CC=CC=C3)OC(=O)O2)OCC4=CC=CC=C4
InChI: InChI=1S/C20H20O5S/c1-13-16(22-12-14-8-4-2-5-9-14)17-18(25-20(21)24-17)19(23-13)26-15-10-6-3-7-11-15/h2-11,13,16-19H,12H2,1H3/t13-,16-,17+,18+,19-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3CC4=CC=CC=C4C3=NC5=CC=CC=C5S2
InChI: InChI=1S/C23H19NS/c1-15-10-12-16(13-11-15)23-19-14-17-6-2-3-7-18(17)22(19)24-20-8-4-5-9-21(20)25-23/h2-13,19,23H,14H2,1H3/t19-,23+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@@H]([C@H](CO5)O)O)O)O)O
InChI: InChI=1S/C35H46O19/c1-15-25(42)27(44)32(54-33-28(45)26(43)21(40)14-49-33)35(50-15)53-31-29(46)34(48-10-9-17-3-6-18(37)20(39)11-17)51-23(13-36)30(31)52-24(41)8-5-16-4-7-19(38)22(12-16)47-2/h3-8,11-12,15,21,23,25-40,42-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21-,23+,25-,26+,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1
SMILES: CCCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C28H30Cl2N2O7/c1-3-4-23(35)32(13-16-5-6-17(29)11-20(16)30)21-12-19(28(37)31-7-8-33)24-18-9-15(14-34)10-22(38-2)26(18)39-27(24)25(21)36/h5-6,9-12,14,21,24-25,27,33,36H,3-4,7-8,13H2,1-2H3,(H,31,37)/t21-,24+,25+,27+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H]2[C@@H]([C@@H]1OC(=O)[C@H](C3=CC=CC=C3)OC(=O)C)OC4(O2)CCCCC4)O
InChI: InChI=1S/C23H29NO8/c1-13(25)24-16-17(27)20-21(32-23(31-20)11-7-4-8-12-23)19(16)30-22(28)18(29-14(2)26)15-9-5-3-6-10-15/h3,5-6,9-10,16-21,27H,4,7-8,11-12H2,1-2H3,(H,24,25)/t16-,17+,18+,19-,20+,21-/m1/s1
SMILES: C1C(=O)NC(=O)C1([C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H17NO8S/c17-7-9-11(19)12(20)13(24-9)15(6-10(18)16-14(15)21)25(22,23)8-4-2-1-3-5-8/h1-5,9,11-13,17,19-20H,6-7H2,(H,16,18,21)/t9-,11-,12-,13-,15?/m0/s1
SMILES: CN(CC1=CC=CC=N1)[C@@H]2CCCC[C@H]2N(C)CC3=CC=CC=N3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Mn+2]
InChI: InChI=1S/C20H28N4.2CHF3O3S.Mn/c1-23(15-17-9-5-7-13-21-17)19-11-3-4-12-20(19)24(2)16-18-10-6-8-14-22-18;2*2-1(3,4)8(5,6)7;/h5-10,13-14,19-20H,3-4,11-12,15-16H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t19-,20-;;;/m1.../s1
SMILES: CC1=C(C(=CC=C1)C)SC[C@H]2C[C@H]2P(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H25PS/c1-18-10-9-11-19(2)24(18)26-17-20-16-23(20)25(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-15,20,23H,16-17H2,1-2H3/t20-,23-/m1/s1
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)N)CC5CCC5
InChI: InChI=1S/C21H30N2/c22-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-23(20)14-15-4-3-5-15/h7-8,13,15,18,20H,1-6,9-12,14,22H2/t18-,20+,21+/m0/s1
SMILES: CCC[C@@H]1[C@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)NC5=CC=CC=C5Cl
InChI: InChI=1S/C26H24ClNO/c1-2-9-20-23-16-10-3-5-12-18(16)24(19-13-6-4-11-17(19)23)25(20)26(29)28-22-15-8-7-14-21(22)27/h3-8,10-15,20,23-25H,2,9H2,1H3,(H,28,29)/t20-,23?,24?,25+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C(=O)[C@]89CC[C@](C8(C)C)(C(=O)O9)C)O)C(=C5)C(=O)C1=CC=CC=C1)O)C
InChI: InChI=1S/C50H57NO6/c1-43(2)46(5)24-27-50(43,57-42(46)55)41(54)51(30-34-16-11-15-32-12-9-10-17-36(32)34)31-48(56)23-20-39-45(48,4)22-19-38-44(3)21-18-35(52)28-47(44)25-26-49(38,39)37(29-47)40(53)33-13-7-6-8-14-33/h6-17,25-26,29,35,38-39,52,56H,18-24,27-28,30-31H2,1-5H3/t35?,38-,39-,44-,45+,46+,47+,48-,49-,50-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(=O)/C=C\C(=O)O)O
InChI: InChI=1S/C13H15N3O7/c14-9-3-4-16(13(21)15-9)10-5-7(17)8(23-10)6-22-12(20)2-1-11(18)19/h1-4,7-8,10,17H,5-6H2,(H,18,19)(H2,14,15,21)/b2-1-/t7-,8+,10+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@H]2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC4=CC(=O)CCC34
InChI: InChI=1S/C22H25F7O3/c1-19-9-8-14-13-5-3-12(30)10-11(13)2-4-15(14)16(19)6-7-17(19)32-18(31)20(23,24)21(25,26)22(27,28)29/h10,13-17H,2-9H2,1H3/t13?,14?,15?,16?,17-,19+/m1/s1
SMILES: C1CC(=O)[C@@H]2[C@H](SC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H16FNOS/c20-13-10-8-12(9-11-13)19-18-15(5-3-6-16(18)22)21-14-4-1-2-7-17(14)23-19/h1-2,4-5,7-11,18-19,21H,3,6H2/t18-,19-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=O)N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C18H16N2O7S/c1-2-27-18(22)16-15(12-6-4-3-5-7-12)17(21)19(16)28(25,26)14-10-8-13(9-11-14)20(23)24/h3-11,15-16H,2H2,1H3/t15-,16-/m0/s1
SMILES: COC(=O)C1=C2C3(CCN4[C@@H]3[C@@H](C1)CC4=O)C5=CC=CC=C5N2
InChI: InChI=1S/C18H18N2O3/c1-23-17(22)11-8-10-9-14(21)20-7-6-18(16(10)20)12-4-2-3-5-13(12)19-15(11)18/h2-5,10,16,19H,6-9H2,1H3/t10-,16+,18?/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7)OCC8=CC=CC=C8)O)C(=O)N(C5=O)C9=CC=C(C=C9)NC1=CC=CC=C1
InChI: InChI=1S/C52H44N4O6/c1-32-17-19-37(20-18-32)54-56-49(59)44-30-43-40(27-28-42-46(43)50(60)55(48(42)58)38-23-21-36(22-24-38)53-35-15-9-4-10-16-35)47(52(44,51(56)61)34-13-7-3-8-14-34)41-26-25-39(29-45(41)57)62-31-33-11-5-2-6-12-33/h2-27,29,42-44,46-47,53-54,57H,28,30-31H2,1H3/t42-,43+,44-,46-,47+,52+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C20H23N3O6S/c24-19-12-5-4-11-18(19)21-20(25)14-22(15-7-6-8-16(13-15)23(26)27)30(28,29)17-9-2-1-3-10-17/h1-3,6-10,13,18-19,24H,4-5,11-12,14H2,(H,21,25)/t18-,19+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CSC2=NC=CC(=O)N2)C(C)C
InChI: InChI=1S/C16H24N2O3S/c1-10(2)12-5-4-11(3)8-13(12)21-15(20)9-22-16-17-7-6-14(19)18-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,17,18,19)/t11-,12+,13-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(N=CC=C2)Cl
InChI: InChI=1S/C17H23ClN2O3/c1-10-6-4-8-14(11(10)2)20-16(21)12(3)23-17(22)13-7-5-9-19-15(13)18/h5,7,9-12,14H,4,6,8H2,1-3H3,(H,20,21)/t10-,11-,12-,14+/m1/s1
SMILES: CCCN1CC[C@@H]2[C@H]1CCC3=C2C(=CC=C3)[13C](=[18O])[15NH2]
InChI: InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1/i16+1,17+1,19+2
SMILES: COC1=CC=CC(=C1)CN2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C4CCCCC4
InChI: InChI=1S/C20H26N2O4S2/c1-26-16-9-5-6-14(10-16)11-22-17-12-28(24,25)13-18(17)27-20(22)21-19(23)15-7-3-2-4-8-15/h5-6,9-10,15,17-18H,2-4,7-8,11-13H2,1H3/t17-,18+/m1/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC7=CC=CC=C7OC6=O)C(=O)NCCO
InChI: InChI=1S/C38H43IN2O9/c1-48-32-12-24(19-43)11-28(39)34(32)49-31-15-26(35(45)40-6-7-42)14-29(33(31)44)41(20-38-16-21-8-22(17-38)10-23(9-21)18-38)36(46)27-13-25-4-2-3-5-30(25)50-37(27)47/h2-5,11-13,15,21-23,29,31,33,42-44H,6-10,14,16-20H2,1H3,(H,40,45)/t21?,22?,23?,29-,31+,33+,38?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)CNS(=O)(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C25H29NO4S/c1-25-12-11-21-20-10-8-18(27)13-16(20)7-9-22(21)24(25)17(14-23(25)28)15-26-31(29,30)19-5-3-2-4-6-19/h2-6,8,10,13,17,21-22,24,26-27H,7,9,11-12,14-15H2,1H3/t17-,21-,22-,24+,25-/m1/s1
SMILES: CCCCCCC(C(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)NCC)O)O)(F)F
InChI: InChI=1S/C24H41F2NO4/c1-3-5-6-11-16-24(25,26)22(30)15-14-19-18(20(28)17-21(19)29)12-9-7-8-10-13-23(31)27-4-2/h7,9,18-21,28-29H,3-6,8,10-17H2,1-2H3,(H,27,31)/b9-7-/t18-,19-,20+,21-/m1/s1
SMILES: C[C@]12CCC(=O)N([C@@H]1CCC3C2CC[C@]4(C3CCC4C(=O)NCCCN(C)C)C)C
InChI: InChI=1S/C25H43N3O2/c1-24-13-11-19-17(7-10-21-25(19,2)14-12-22(29)28(21)5)18(24)8-9-20(24)23(30)26-15-6-16-27(3)4/h17-21H,6-16H2,1-5H3,(H,26,30)/t17?,18?,19?,20?,21-,24+,25-/m1/s1
SMILES: CN(C)C1=CC=[N+](C=C1)C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)N
InChI: InChI=1S/C17H22N7O3/c1-22(2)10-3-5-23(6-4-10)15-14-16(21-17(18)20-15)24(9-19-14)13-7-11(26)12(8-25)27-13/h3-6,9,11-13,25-26H,7-8H2,1-2H3,(H2,18,20,21)/q+1/t11-,12+,13+/m0/s1
SMILES: CN(C)C(=O)C[C@H]1C=C[C@@H](C[C@@H]1OCC2=CC=C(C=C2)OC)OCOC
InChI: InChI=1S/C20H29NO5/c1-21(2)20(22)11-16-7-10-18(26-14-23-3)12-19(16)25-13-15-5-8-17(24-4)9-6-15/h5-10,16,18-19H,11-14H2,1-4H3/t16-,18+,19+/m1/s1
SMILES: CC1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C)O)C)[C@@]4(C1=CC(=O)CC4)C
InChI: InChI=1S/C21H32O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h12-13,15-17,23H,5-11H2,1-4H3/t13?,15-,16+,17+,19-,20+,21+/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N
InChI: InChI=1S/C42H42N4O9/c1-24(2)32(38(49)53-3)44-41(52)45-30-20-11-10-19-29(30)42(40(45)51)31(37(43)48)34-39(50)55-35(26-15-8-5-9-16-26)33(25-13-6-4-7-14-25)46(34)36(42)27-17-12-18-28(23-27)54-22-21-47/h4-20,23-24,31-36,47H,21-22H2,1-3H3,(H2,43,48)(H,44,52)/t31-,32-,33-,34-,35+,36+,42-/m0/s1
SMILES: C[C@@H]1[C@H](C(CCC/C=C\C[C@H](OC(=O)C[C@H](C(C1=O)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)(C)C)O
InChI: InChI=1S/C27H41NO5S/c1-17(14-20-16-34-19(3)28-20)21-12-10-8-9-11-13-26(4,5)24(31)18(2)25(32)27(6,7)22(29)15-23(30)33-21/h8,10,14,16,18,21-22,24,29,31H,9,11-13,15H2,1-7H3/b10-8-,17-14+/t18-,21+,22-,24-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)O)\C)C)O)OC
InChI: InChI=1S/C28H41NO8/c1-15-11-19-26(33)20(14-21(30)27(19)37-7)29-28(34)16(2)9-8-10-22(35-5)24(31)17(3)13-18(4)25(32)23(12-15)36-6/h9,13-15,18,22-25,31-32H,8,10-12H2,1-7H3,(H,29,34)/b16-9+,17-13+/t15-,18+,22-,23-,24-,25-/m0/s1
SMILES: C/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)/OC
InChI: InChI=1S/C22H30O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-18H,5-10,12H2,1-4H3/b20-13-/t16-,17+,18-,21-,22-/m0/s1
SMILES: CO[C@@H]1[C@@H](O[C@@H]2[C@@H]1OC3(O2)CCCCC3)[C@@H]4[C@@H](C(=N)SC(=C4C#N)N)C#N
InChI: InChI=1S/C18H22N4O4S/c1-23-13-12(11-9(7-19)15(21)27-16(22)10(11)8-20)24-17-14(13)25-18(26-17)5-3-2-4-6-18/h9,11-14,17,21H,2-6,22H2,1H3/t9-,11+,12-,13+,14+,17-/m0/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC(C)CC)C(=O)O)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C28H44N2O5/c1-5-8-14-29(15-9-6-2)26(31)18-30-17-22(21-11-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)12-10-20(4)7-3/h11,13,16,20,22-23,27H,5-10,12,14-15,17-19H2,1-4H3,(H,32,33)/t20?,22-,23+,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)C=C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H20N4O7/c1-5-12-14-17(20-7-19-12)22(8-21-14)18-16(28-11(4)25)15(27-10(3)24)13(29-18)6-26-9(2)23/h5,7-8,13,15-16,18H,1,6H2,2-4H3/t13-,15-,16-,18-/m1/s1
SMILES: CCCOC(=O)C1=C(N=C2C[C@H]([C@H](C(=O)[C@H]2[C@@H]1C3=CC=CC=C3OC)C(=O)OC)C)C
InChI: InChI=1S/C24H29NO6/c1-6-11-31-24(28)19-14(3)25-16-12-13(2)18(23(27)30-5)22(26)21(16)20(19)15-9-7-8-10-17(15)29-4/h7-10,13,18,20-21H,6,11-12H2,1-5H3/t13-,18-,20-,21-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)N(C)CC(=O)N(C)CCC(=O)O
InChI: InChI=1S/C18H25N3O10S/c1-10(22)31-8-11-9-32(28,29)18-15(30-4)17(27)21(18)14(11)16(26)20(3)7-12(23)19(2)6-5-13(24)25/h15,18H,5-9H2,1-4H3,(H,24,25)/t15-,18+/m0/s1
SMILES: C([C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5-,6-,7-,8-,9+,10-/m1/s1
SMILES: CCCCCC[C@H]1CC(=O)C(=CN1C(=O)O[C@H]2CCCC[C@@H]2C(C)(C)C3=CC=CC=C3)[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C36H59NO3Si/c1-10-11-12-16-21-30-24-32(38)34(41(26(2)3,27(4)5)28(6)7)25-37(30)35(39)40-33-23-18-17-22-31(33)36(8,9)29-19-14-13-15-20-29/h13-15,19-20,25-28,30-31,33H,10-12,16-18,21-24H2,1-9H3/t30-,31-,33-/m0/s1
SMILES: CCCC[C@H](C1=CC=CC=C1)N[S@](=O)[C@@H]2[C@H]3CC[C@@]([C@@H]2OCC4=CC=CC=C4)(C3(C)C)C
InChI: InChI=1S/C28H39NO2S/c1-5-6-17-24(22-15-11-8-12-16-22)29-32(30)25-23-18-19-28(4,27(23,2)3)26(25)31-20-21-13-9-7-10-14-21/h7-16,23-26,29H,5-6,17-20H2,1-4H3/t23-,24-,25-,26-,28+,32-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=C(C=C4)C(=O)C
InChI: InChI=1S/C24H25N3O7/c1-13(28)15-3-7-17(8-4-15)25-23(30)27-19-11-32-22-20(12-33-21(19)22)34-24(31)26-18-9-5-16(6-10-18)14(2)29/h3-10,19-22H,11-12H2,1-2H3,(H,26,31)(H2,25,27,30)/t19-,20+,21+,22+/m0/s1
SMILES: CCC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)N
InChI: InChI=1S/C20H27NO4S/c1-3-12-10-16-13(11-18(12)25-26(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h10-11,14-15,17H,3-9H2,1-2H3,(H2,21,23,24)/t14-,15+,17-,20-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NCCCCCCNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)C(=O)O
InChI: InChI=1S/C22H36N2O6/c25-19(15-9-3-5-11-17(15)21(27)28)23-13-7-1-2-8-14-24-20(26)16-10-4-6-12-18(16)22(29)30/h15-18H,1-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t15-,16+,17-,18-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](COC1=O)O)CC[C@@](C)([C@H]2CCC3([C@@]2(CC[C@H]4C3=CC(=O)[C@]5([C@@]4(C[C@@H]([C@@H](C5)O)O)C)O)C)O)O
InChI: InChI=1S/C29H44O9/c1-15-16(21(32)14-38-24(15)34)5-9-27(4,35)22-7-10-28(36)18-11-23(33)29(37)13-20(31)19(30)12-26(29,3)17(18)6-8-25(22,28)2/h11,15-17,19-22,30-32,35-37H,5-10,12-14H2,1-4H3/t15-,16-,17-,19-,20+,21-,22-,25+,26+,27-,28?,29+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@]([C@@H]2C3=CC=CC=C3)(C(=O)O)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO3/c23-19(15-9-5-2-6-10-15)22-21(20(24)25)17-12-11-16(13-17)18(21)14-7-3-1-4-8-14/h1-12,16-18H,13H2,(H,22,23)(H,24,25)/t16-,17+,18-,21+/m1/s1
SMILES: C[C@]1(CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI: InChI=1S/C21H20BrNO2/c1-21(14-5-3-2-4-6-14)12-11-17-18(13-21)20(25)23(19(17)24)16-9-7-15(22)8-10-16/h2-10,17-18H,11-13H2,1H3/t17-,18+,21+/m0/s1
SMILES: CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)N3C[C@H]4CCN([C@H]4C3)C(=O)OCC5=CC=CC=C5)C)C6CC6
InChI: InChI=1S/C30H32FN3O5/c1-3-38-29(36)23-13-22(20-9-10-20)26-18(2)27(24(31)15-34(26)28(23)35)32-14-21-11-12-33(25(21)16-32)30(37)39-17-19-7-5-4-6-8-19/h4-8,13,15,20-21,25H,3,9-12,14,16-17H2,1-2H3/t21-,25+/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@H]4[C@H](C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)C6=NC7=CC=CC=C7S6
InChI: InChI=1S/C25H15N3O4S/c29-22-20-19-13-7-1-3-9-15(13)25(28(31)32,16-10-4-2-8-14(16)19)21(20)23(30)27(22)24-26-17-11-5-6-12-18(17)33-24/h1-12,19-21H/t19?,20-,21-,25?/m0/s1
SMILES: CC[NH+]1CC=C2[C@H](C1)[C@]3([C@H](C(=N)C2(C#N)C#N)C#N)C4=CC=CC=C4N(C3=O)CC=C
InChI: InChI=1S/C24H22N6O/c1-3-10-30-20-8-6-5-7-17(20)24(22(30)31)18(12-25)21(28)23(14-26,15-27)16-9-11-29(4-2)13-19(16)24/h3,5-9,18-19,28H,1,4,10-11,13H2,2H3/p+1/t18-,19-,24+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C29H35N5O4/c1-29(2,3)19-8-10-20(11-9-19)31-28(35)38-24-17-37-25-23(16-36-26(24)25)33-27-30-15-14-22(32-27)18-6-12-21(13-7-18)34(4)5/h6-15,23-26H,16-17H2,1-5H3,(H,31,35)(H,30,32,33)/t23-,24+,25+,26+/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)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)Cl)Cl)O
InChI: InChI=1S/C39H29Cl3FN3O6/c1-52-31-17-19(16-30(42)34(31)47)33-26-14-15-27-32(37(50)45(35(27)48)25-12-6-22(41)7-13-25)28(26)18-29-36(49)46(44-24-10-8-23(43)9-11-24)38(51)39(29,33)20-2-4-21(40)5-3-20/h2-14,16-17,27-29,32-33,44,47H,15,18H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C23H30N4O2S/c1-3-13-27-22(19-10-6-7-11-20(19)29-2)24-25-23(27)30-16-21(28)26-14-12-17-8-4-5-9-18(17)15-26/h3,6-7,10-11,17-18H,1,4-5,8-9,12-16H2,2H3/t17-,18-/m0/s1
SMILES: COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4CCOC4)O)O
InChI: InChI=1S/C15H21N5O5/c1-23-5-9-11(21)12(22)15(25-9)20-7-18-10-13(16-6-17-14(10)20)19-8-2-3-24-4-8/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8?,9-,11-,12-,15-/m1/s1
SMILES: C1[C@@H]([C@@H](CS1(=O)=O)[NH2+]CC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C17H19NO2S/c19-21(20)12-16(15-9-5-2-6-10-15)17(13-21)18-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2/p+1/t16-,17-/m1/s1
SMILES: CCCN(CCC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C(C)C
InChI: InChI=1S/C17H29N3O5/c1-5-7-20(8-6-2)16(22)14-13(19-15(21)10(3)4)11(18)9-12(25-14)17(23)24/h9-11,13-14H,5-8,18H2,1-4H3,(H,19,21)(H,23,24)/t11-,13+,14+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)N
InChI: InChI=1S/C17H30N2O13/c1-5(21)19-9-6(18)2-17(16(28)29,32-14(9)10(23)7(22)3-20)30-4-8-11(24)12(25)13(26)15(27)31-8/h6-15,20,22-27H,2-4,18H2,1H3,(H,19,21)(H,28,29)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,17+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)[C@@]2([C@@H]3C=CO[C@@H]3O2)C(=O)OC)C
InChI: InChI=1S/C16H18O4/c1-9-7-10(2)13(11(3)8-9)16(15(17)18-4)12-5-6-19-14(12)20-16/h5-8,12,14H,1-4H3/t12-,14-,16+/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=C(C(=O)NC2=O)CCCCSSC(C)(C)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C53H77N4O9PS2Si/c1-37(2)57(38(3)4)67(63-33-20-32-54)65-46-45(36-62-53(40-22-16-15-17-23-40,41-24-28-43(60-11)29-25-41)42-26-30-44(61-12)31-27-42)64-49(47(46)66-70(13,14)52(8,9)10)56-35-39(48(58)55-50(56)59)21-18-19-34-68-69-51(5,6)7/h15-17,22-31,35,37-38,45-47,49H,18-21,33-34,36H2,1-14H3,(H,55,58,59)/t45-,46-,47-,49-,67?/m1/s1
SMILES: CC1=C(N2[C@@H]3[C@@](CCCN3)(C(=C(C2=C1C)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI: InChI=1S/C20H26N2O6/c1-10-11(2)15-13(16(23)26-4)14(17(24)27-5)20(19(25)28-6)8-7-9-21-18(20)22(15)12(10)3/h18,21H,7-9H2,1-6H3/t18-,20-/m1/s1
SMILES: C1[C@H]([C@H](C(=CC1=O)O)N2C=NC=N2)C3=C(C=CC=C3Cl)F
InChI: InChI=1S/C14H11ClFN3O2/c15-10-2-1-3-11(16)13(10)9-4-8(20)5-12(21)14(9)19-7-17-6-18-19/h1-3,5-7,9,14,21H,4H2/t9-,14+/m0/s1
SMILES: C[NH+](CC1=CC=CC=C1)CC2=CN(N=N2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C25H30N6O3/c1-30(13-19-10-6-3-7-11-19)14-20-15-31(29-28-20)22-17-34-23-21(16-33-24(22)23)27-25(32)26-12-18-8-4-2-5-9-18/h2-11,15,21-24H,12-14,16-17H2,1H3,(H2,26,27,32)/p+1/t21-,22-,23+,24+/m0/s1
SMILES: CCOC(CBr)(C1=C(N2[C@H](CC1)[C@@H](C2=O)N(C(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OCC
InChI: InChI=1S/C34H40BrN3O11/c1-6-47-34(21-35,48-7-2)25-17-18-26-29(37(32(42)49-33(3,4)5)27(39)20-45-24-11-9-8-10-12-24)30(40)36(26)28(25)31(41)46-19-22-13-15-23(16-14-22)38(43)44/h8-16,26,29H,6-7,17-21H2,1-5H3/t26-,29+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)CSC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C32H31NO7S2/c1-21-28(20-41-29-10-6-5-9-27(29)31(35)36)39-32(40-30(21)23-13-11-22(19-34)12-14-23)24-15-17-25(18-16-24)33-42(37,38)26-7-3-2-4-8-26/h2-18,21,28,30,32-34H,19-20H2,1H3,(H,35,36)/t21-,28+,30+,32+/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C45H40N2O9/c1-54-25-26-55-44(53)46-35-24-19-29(18-17-28-11-5-2-6-12-28)27-34(35)45(43(46)52)36(41(49)50)38-42(51)56-39(31-15-9-4-10-16-31)37(30-13-7-3-8-14-30)47(38)40(45)32-20-22-33(48)23-21-32/h3-4,7-11,13-16,19-24,27,36-40,48H,2,5-6,12,25-26H2,1H3,(H,49,50)/t36-,37-,38-,39+,40+,45-/m1/s1
SMILES: C[C@@H](CCC/C=C/[C@@H]1CC(=O)C[C@H]1[C@@H](/C=C/COCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C36H52O4Si/c1-29(39-28-31-20-13-9-14-21-31)17-10-7-15-22-32-25-33(37)26-34(32)35(40-41(5,6)36(2,3)4)23-16-24-38-27-30-18-11-8-12-19-30/h8-9,11-16,18-23,29,32,34-35H,7,10,17,24-28H2,1-6H3/b22-15+,23-16+/t29-,32+,34+,35+/m0/s1
SMILES: CC(=CCC[C@]1([C@@H]2CC[C@]([C@H]3[C@@H]2C4=C(O1)C=C(C(=C4O3)C=O)C=O)(C)O)C)C
InChI: InChI=1S/C23H28O5/c1-13(2)6-5-8-23(4)16-7-9-22(3,26)21-18(16)19-17(28-23)10-14(11-24)15(12-25)20(19)27-21/h6,10-12,16,18,21,26H,5,7-9H2,1-4H3/t16-,18+,21-,22+,23+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)[C@@H](CC3=CC=C(C=C3)O)C(=O)O
InChI: InChI=1S/C17H19NO5/c19-11-7-5-10(6-8-11)9-14(17(22)23)18-15(20)12-3-1-2-4-13(12)16(18)21/h5-8,12-14,19H,1-4,9H2,(H,22,23)/t12-,13-,14+/m1/s1
SMILES: CC(=O)/C=C/C(=O)[C@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C31H32O6/c1-23(32)17-18-27(33)29-31(36-21-26-15-9-4-10-16-26)30(35-20-25-13-7-3-8-14-25)28(37-29)22-34-19-24-11-5-2-6-12-24/h2-18,28-31H,19-22H2,1H3/b18-17+/t28-,29+,30-,31-/m1/s1
SMILES: CC1(CC(CC(N1)(C)C)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C20H33N3O3/c1-19(2)11-13(12-20(3,4)22-19)21-16(24)9-10-23-17(25)14-7-5-6-8-15(14)18(23)26/h13-15,22H,5-12H2,1-4H3,(H,21,24)/t14-,15+
SMILES: C1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1C4=CC=C(C=C4)Br)C(=O)O
InChI: InChI=1S/C15H12BrNO4/c16-8-1-3-9(4-2-8)17-7-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h1-6,10-12H,7H2,(H,19,20)/t10-,11-,12+,15-/m1/s1
SMILES: C[Si](C)(C)CCOCO[C@H]1[C@H]([C@H](C=C([C@H]1OCOCC[Si](C)(C)C)Br)O)O
InChI: InChI=1S/C18H37BrO6Si2/c1-26(2,3)9-7-22-12-24-17-14(19)11-15(20)16(21)18(17)25-13-23-8-10-27(4,5)6/h11,15-18,20-21H,7-10,12-13H2,1-6H3/t15-,16-,17+,18-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCO[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)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C51H98NO19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(55)65-37-39(68-43(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-67-72(62,63)66-34-32-52-31-33-64-50-48(61)46(59)49(41(36-54)70-50)71-51-47(60)45(58)44(57)40(35-53)69-51/h39-41,44-54,57-61H,3-38H2,1-2H3,(H,62,63)/t39?,40-,41-,44+,45+,46-,47-,48-,49-,50-,51+/m1/s1
SMILES: CCCC[N+](C)(C)CCC(=O)N[C@@]1(CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-])C
InChI: InChI=1S/C14H28N2O6S2/c1-5-6-8-16(3,4)9-7-13(17)15-14(2)11-23(18,19)10-12(14)24(20,21)22/h12H,5-11H2,1-4H3,(H-,15,17,20,21,22)/t12-,14+/m0/s1
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](COC[C@H]3[C@H](O3)CO)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI: InChI=1S/C35H35NO6/c37-19-33-34(42-33)23-39-21-26(18-24-14-16-27(17-15-24)40-20-25-8-2-1-3-9-25)36-35(38)41-22-32-30-12-6-4-10-28(30)29-11-5-7-13-31(29)32/h1-17,26,32-34,37H,18-23H2,(H,36,38)/t26-,33+,34-/m0/s1
SMILES: CCCCCCOC[C@H]1[C@H]2C[C@@]([C@@H]1C/C=C\CCCC(=O)O)(CO2)C3=CC=CC=C3
InChI: InChI=1S/C26H38O4/c1-2-3-4-12-17-29-19-22-23(15-10-5-6-11-16-25(27)28)26(18-24(22)30-20-26)21-13-8-7-9-14-21/h5,7-10,13-14,22-24H,2-4,6,11-12,15-20H2,1H3,(H,27,28)/b10-5-/t22-,23-,24-,26-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)[S@@](=O)O[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(O4)(C)C)C
InChI: InChI=1S/C21H30O7S/c1-11-8-12(2)18(13(3)9-11)29(22)28-16-15(14-10-23-20(4,5)25-14)24-19-17(16)26-21(6,7)27-19/h8-9,14-17,19H,10H2,1-7H3/t14-,15-,16+,17-,19-,29+/m1/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)Cl)OC)C(=O)[O-])C
InChI: InChI=1S/C17H20ClNO4/c1-9-6-12(13(17(21)22)7-10(9)2)16(20)19-14-8-11(18)4-5-15(14)23-3/h4-5,8,12-13H,6-7H2,1-3H3,(H,19,20)(H,21,22)/p-1/t12-,13-/m0/s1