EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)OC)N=N2
InChI: InChI=1S/C19H23N5O2S/c1-11-5-3-4-6-14(11)20-16(25)10-27-19-22-18-17(23-24-19)13-9-12(26-2)7-8-15(13)21-18/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,25)(H,21,22,24)/t11-,14+/m0/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)NC(=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C18H15ClN2O3/c19-10-3-1-2-9(8-10)15(22)20-21-16(23)13-11-4-5-12(14(13)17(21)24)18(11)6-7-18/h1-5,8,11-14H,6-7H2,(H,20,22)/t11-,12+,13-,14+
SMILES: C[C@]12C[C@H]3[C@@](C[C@H]1[C@@]([C@@H](CC24OCCO4)O)(C=O)OCC5=CC=CC=C5)(OC(O3)(C)C)C
InChI: InChI=1S/C25H34O7/c1-21(2)31-20-14-22(3)18(12-23(20,4)32-21)24(16-26,30-15-17-8-6-5-7-9-17)19(27)13-25(22)28-10-11-29-25/h5-9,16,18-20,27H,10-15H2,1-4H3/t18-,19-,20+,22+,23-,24-/m1/s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)C)N(C1)CC5CC5
InChI: InChI=1S/C24H34N4O/c1-4-27(5-2)24(29)26-17-11-20-18-7-6-8-21-23(18)19(15(3)25-21)12-22(20)28(14-17)13-16-9-10-16/h6-8,16-17,20,22,25H,4-5,9-14H2,1-3H3,(H,26,29)/t17-,20+,22+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@H](C(=C(N2C3=CC=CC=C3F)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C32H30FN3O5/c1-3-40-31(38)26-21(19-11-6-5-7-12-19)17-24-27(29(26)37)25(20-13-10-16-35-18-20)28(32(39)41-4-2)30(34)36(24)23-15-9-8-14-22(23)33/h5-16,18,21,25-26H,3-4,17,34H2,1-2H3/t21-,25-,26-/m1/s1
SMILES: CC1=CC(=C(C=C1)N(CC2=NC=CN2)[C@H]3[C@@H]([C@@](OC4=C3C=C(C=C4)N)(C)C(OC)OC)O)C
InChI: InChI=1S/C25H32N4O4/c1-15-6-8-19(16(2)12-15)29(14-21-27-10-11-28-21)22-18-13-17(26)7-9-20(18)33-25(3,23(22)30)24(31-4)32-5/h6-13,22-24,30H,14,26H2,1-5H3,(H,27,28)/t22-,23+,25+/m1/s1
SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O
InChI: InChI=1S/C25H44FN2O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-35-38(33,34)36-18-20-21(29)22(30)24(37-20)28-17-19(26)23(31)27-25(28)32/h17,20-22,24,29-30H,2-16,18H2,1H3,(H,33,34)(H,27,31,32)/t20-,21-,22-,24-/m1/s1
SMILES: CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC(C[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)C)(C)C
InChI: InChI=1S/C39H60N6O8/c1-11-15-27(31(47)34(49)40-20-28(46)42-29(35(50)44(9)10)24-16-13-12-14-17-24)41-33(48)30-26-19-39(7,8)18-25(26)21-45(30)36(51)32(38(4,5)6)43-37(52)53-22-23(2)3/h12-14,16-17,23,25-27,29-30,32H,11,15,18-22H2,1-10H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t25-,26-,27?,29-,30-,32+/m0/s1
SMILES: CCOC(=O)[C@]12CC([C@]1(NC(=O)C2=O)C3=CC=CC=C3)OC4CCCCC4
InChI: InChI=1S/C21H25NO5/c1-2-26-19(25)20-13-16(27-15-11-7-4-8-12-15)21(20,22-18(24)17(20)23)14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,22,24)/t16?,20-,21-/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C24H26N2O5/c1-14-4-10-18-19(12-14)24(29)26(23(18)28)16-7-5-15(6-8-16)22(27)25-20-11-9-17(30-2)13-21(20)31-3/h5-9,11,13-14,18-19H,4,10,12H2,1-3H3,(H,25,27)/t14-,18+,19+/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]2O)COCC3=CC=CC=C3)OC)NC(=O)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C43H51NO10/c1-29-38(49-25-32-18-10-5-11-19-32)40(50-26-33-20-12-6-13-21-33)41(51-27-34-22-14-7-15-23-34)43(52-29)54-39-36(44-30(2)45)42(47-3)53-35(37(39)46)28-48-24-31-16-8-4-9-17-31/h4-23,29,35-43,46H,24-28H2,1-3H3,(H,44,45)/t29-,35+,36+,37+,38+,39+,40+,41-,42+,43-/m0/s1
SMILES: C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@@H]2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OCCO5)C)O)C
InChI: InChI=1S/C26H40O6/c1-15(4-7-22(29)30)17-5-6-18-23-19(13-21(28)25(17,18)3)24(2)8-9-26(31-10-11-32-26)14-16(24)12-20(23)27/h15-20,23,27H,4-14H2,1-3H3,(H,29,30)/p-1/t15-,16+,17+,18-,19-,20+,23+,24-,25+/m0/s1
SMILES: CCC(/C=C/C(C)[C@H]1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8+/t20?,21?,23-,25+,26?,27?,28-,29+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)C(F)(F)F)C4=CN=CC=C4
InChI: InChI=1S/C18H15F3N2/c19-18(20,21)12-6-7-16-15(9-12)13-4-1-5-14(13)17(23-16)11-3-2-8-22-10-11/h1-4,6-10,13-14,17,23H,5H2/t13-,14+,17+/m0/s1
SMILES: C1[C@@H]([C@H](C(=O)C=C1C2=CC=CS2)N3N=C(N=N3)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C17H13N5O3S/c23-14-10-12(15-7-4-8-26-15)9-13(11-5-2-1-3-6-11)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/t13-,16-/m1/s1
SMILES: CC(C)O[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-]
InChI: InChI=1S/C23H27N3O5/c1-15(2)29-23-19(25-26-24)21(27-13-16-9-5-3-6-10-16)20-18(30-23)14-28-22(31-20)17-11-7-4-8-12-17/h3-12,15,18-23H,13-14H2,1-2H3/t18-,19-,20-,21-,22-,23+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C22H31N3OS/c1-15-7-3-4-8-18(15)23-21(26)16(2)25-13-11-17(12-14-25)22-24-19-9-5-6-10-20(19)27-22/h5-6,9-10,15-18H,3-4,7-8,11-14H2,1-2H3,(H,23,26)/p+1/t15-,16-,18-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=CC=CC=C4F
InChI: InChI=1S/C19H21FN2O2S/c1-13-7-8-17-14(11-13)15-12-21(2)10-9-18(15)22(17)25(23,24)19-6-4-3-5-16(19)20/h3-8,11,15,18H,9-10,12H2,1-2H3/t15-,18-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4C(=C)O[Si](C)(C)C)C)C
InChI: InChI=1S/C26H42O3Si/c1-17(29-30(5,6)7)22-10-11-23-21-9-8-19-16-20(28-18(2)27)12-14-25(19,3)24(21)13-15-26(22,23)4/h11,19-22,24H,1,8-10,12-16H2,2-7H3/t19-,20-,21-,22+,24-,25-,26+/m0/s1
SMILES: CCCCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C
InChI: InChI=1S/C20H37NO11/c1-3-4-5-6-7-29-19-13(21-10(2)24)18(15(26)12(9-23)30-19)32-20-17(28)16(27)14(25)11(8-22)31-20/h11-20,22-23,25-28H,3-9H2,1-2H3,(H,21,24)/t11-,12-,13-,14+,15+,16+,17-,18-,19+,20+/m1/s1
SMILES: C[C@]12[C@H]3C[C@H]([C@@H]1C(=C)C3)C([C@@H]([C@H]([C@H]2O)O)O)(C)C
InChI: InChI=1S/C15H24O3/c1-7-5-8-6-9-10(7)15(8,4)13(18)11(16)12(17)14(9,2)3/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9-,10+,11-,12-,13-,15+/m1/s1
SMILES: C[C@H](C(=O)N)NC1=C(C=C(C(=C1)NC[C@@H]2CC[N+]3([C@@H]2CCCC3)C)[N+](=O)[O-])[N+](=O)[O-].C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C19H28N6O5.C2HF3O2/c1-12(19(20)26)22-15-9-14(16(23(27)28)10-17(15)24(29)30)21-11-13-6-8-25(2)7-4-3-5-18(13)25;3-2(4,5)1(6)7/h9-10,12-13,18,21-22H,3-8,11H2,1-2H3,(H-,20,26);(H,6,7)/t12-,13+,18-,25?;/m1./s1
SMILES: CCOC(=O)[C@]1([C@H]([C@@H]2CCCC=C2[C@@H](C1=N)C#N)C3=CC=CC4=CC=CC=C43)C#N
InChI: InChI=1S/C25H23N3O2/c1-2-30-24(29)25(15-27)22(19-13-7-9-16-8-3-4-10-17(16)19)20-12-6-5-11-18(20)21(14-26)23(25)28/h3-4,7-11,13,20-22,28H,2,5-6,12H2,1H3/t20-,21+,22+,25+/m1/s1
SMILES: C[C@]12CCC3=C([C@@H]1CC[C@]2(CCCO)O)C=CC4=C3C=CC(=C4)O
InChI: InChI=1S/C21H26O3/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h3-6,13,19,22-24H,2,7-12H2,1H3/t19-,20-,21-/m0/s1
SMILES: CC(=O)NCCCC(C)(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C33H45N3O10S/c1-22(37)34-14-7-13-33(2,3)20-36(47(40,41)24-10-11-28-29(17-24)45-21-44-28)18-27(38)26(16-23-8-5-4-6-9-23)35-32(39)46-30-19-43-31-25(30)12-15-42-31/h4-6,8-11,17,25-27,30-31,38H,7,12-16,18-21H2,1-3H3,(H,34,37)(H,35,39)/t25-,26-,27+,30-,31+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@H]2N
InChI: InChI=1S/C14H20N2O2S/c1-9-2-6-12(7-3-9)19(17,18)16-14-11-5-4-10(8-11)13(14)15/h2-3,6-7,10-11,13-14,16H,4-5,8,15H2,1H3/t10-,11+,13-,14-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCCCC(=O)OC)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H39NO11/c1-15(26)25-21-23(35-18(4)29)22(34-17(3)28)19(14-33-16(2)27)36-24(21)32-13-11-9-7-6-8-10-12-20(30)31-5/h19,21-24H,6-14H2,1-5H3,(H,25,26)/t19-,21-,22-,23-,24-/m1/s1
SMILES: C1=CC=C2[C@@H]3[C@H]4[C@@H]([C@@H]([NH+]3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C25H17N3O2/c26-14-20-21-22(23-18-10-4-2-7-16(18)12-13-27(20)23)25(30)28(24(21)29)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20-23H/p+1/t20-,21+,22+,23+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C
InChI: InChI=1S/C47H38O4/c1-45(2)50-43(46(48,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40)44(51-45)47(49,41-29-13-21-33-17-5-9-25-37(33)41)42-30-14-22-34-18-6-10-26-38(34)42/h3-30,43-44,48-49H,1-2H3/t43-,44-/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=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C46H50F3N5O6/c1-30-39(27-52-24-21-45(22-25-52)43(57)51-29-54(45)36-9-3-2-4-10-36)59-42(60-40(30)33-15-13-31(28-55)14-16-33)34-19-17-32(18-20-34)37-11-6-5-8-35(37)26-50-41(56)38-12-7-23-53(38)44(58)46(47,48)49/h2-6,8-11,13-20,30,38-40,42,55H,7,12,21-29H2,1H3,(H,50,56)(H,51,57)/t30-,38+,39+,40+,42+/m1/s1
SMILES: CC/C(=N/NC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H19ClN2O/c1-2-18(14-9-6-10-15(20)11-14)21-22-19(23)17-12-16(17)13-7-4-3-5-8-13/h3-11,16-17H,2,12H2,1H3,(H,22,23)/b21-18-/t16-,17+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C20H26N2O3S/c1-15-6-2-5-9-19(15)22-20(23)12-13-21-26(24,25)18-11-10-16-7-3-4-8-17(16)14-18/h3-4,7-8,10-11,14-15,19,21H,2,5-6,9,12-13H2,1H3,(H,22,23)/t15-,19-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)C=CC(=O)N(C)C)OC(O5)(C7CC7)C8CC8
InChI: InChI=1S/C45H56N4O11/c1-43(2,3)57-35(52)19-17-32(25-50)47-40(53)29-11-7-9-27(21-29)23-46-42(55)44-22-33-36-37(59-45(58-36,30-13-14-30)31-15-16-31)39(44)60-49(38(44)41(54)56-33)24-28-10-6-8-26(20-28)12-18-34(51)48(4)5/h6-12,18,20-21,30-33,36-39,50H,13-17,19,22-25H2,1-5H3,(H,46,55)(H,47,53)/t32-,33+,36-,37-,38-,39+,44-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3CCC4=C([C@@H]3C2)CN(C4)S(=O)(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C24H28N2O4S2/c1-17-3-9-21(10-4-17)31(27,28)25-13-19-7-8-20-14-26(16-24(20)23(19)15-25)32(29,30)22-11-5-18(2)6-12-22/h3-6,9-12,19,23H,7-8,13-16H2,1-2H3/t19-,23-/m1/s1
SMILES: C1[C@@H]([C@@H]1C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C17H14O4/c18-16(19)11-6-7-12(15(8-11)17(20)21)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14H,9H2,(H,18,19)(H,20,21)/p-2/t13-,14+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=C[C@]34C)O.[Na].[Na]
InChI: InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]([C@@H](N3C2=NCC3)C4=CC=C(C=C4)Cl)NC(=O)C
InChI: InChI=1S/C21H21ClN4O2/c1-13-5-3-4-6-17(13)26-20(28)18(24-14(2)27)19(25-12-11-23-21(25)26)15-7-9-16(22)10-8-15/h3-10,18-19H,11-12H2,1-2H3,(H,24,27)/t18-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C29H23NO2/c1-18-12-14-21(15-13-18)30-28(31)26-22-16-17-23(27(26)29(30)32)25(22)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,22-23,26-27H,1H3/t22-,23+,26-,27+
SMILES: C[C@@]12C[C@@H]3[C@H]([C@@]1(NC4=C2C=C(C=C4)OC)O)OC(O3)(C)C
InChI: InChI=1S/C16H21NO4/c1-14(2)20-12-8-15(3)10-7-9(19-4)5-6-11(10)17-16(15,18)13(12)21-14/h5-7,12-13,17-18H,8H2,1-4H3/t12-,13-,15+,16-/m1/s1
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2C3)OC(=O)C4(C5=CC=CC=C5C6=CC=CC=C64)O)C
InChI: InChI=1S/C24H26NO3/c1-25(2)21-11-14(12-22(25)18-13-17(18)21)28-23(26)24(27)19-9-5-3-7-15(19)16-8-4-6-10-20(16)24/h3-10,14,17-18,21-22,27H,11-13H2,1-2H3/q+1/t14?,17-,18+,21-,22+
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[C@@H]([C@@H](C)O)OCC2=CC=C(C=C2)OC)CC(=O)C)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C36H46O9/c1-23(37)19-32-36(44-22-28-11-17-31(41-6)18-12-28)33(42-20-26-7-13-29(39-4)14-8-26)24(2)34(45-32)35(25(3)38)43-21-27-9-15-30(40-5)16-10-27/h7-18,24-25,32-36,38H,19-22H2,1-6H3/t24-,25-,32-,33-,34-,35-,36-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)C1)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C15H14ClNO5S/c1-9-8-23(20,21)14-11(16)13(18)17(14)12(9)15(19)22-7-10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3/t11-,14+/m0/s1
SMILES: C[C@@H]1[C@@H](C(=O)O1)NC(=O)CCNC(=O)C2=C(C(=CC=C2)O)O
InChI: InChI=1S/C14H16N2O6/c1-7-11(14(21)22-7)16-10(18)5-6-15-13(20)8-3-2-4-9(17)12(8)19/h2-4,7,11,17,19H,5-6H2,1H3,(H,15,20)(H,16,18)/t7-,11+/m1/s1
SMILES: CCC(=O)[C@H]1[C@H]2CC[C@H](C2)C[C@@H]1C3=CC=C(C=C3)C
InChI: InChI=1S/C18H24O/c1-3-17(19)18-15-9-6-13(10-15)11-16(18)14-7-4-12(2)5-8-14/h4-5,7-8,13,15-16,18H,3,6,9-11H2,1-2H3/t13-,15+,16-,18+/m1/s1
SMILES: CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)CCC(=O)N4C[C@@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5
InChI: InChI=1S/C24H30N4O2/c1-14-22-19(10-17-23(22)24(17,2)3)28(25-14)8-7-20(29)26-11-15-9-16(13-26)18-5-4-6-21(30)27(18)12-15/h4-6,15-17,23H,7-13H2,1-3H3/t15-,16-,17+,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4
InChI: InChI=1S/C22H23N3O2/c1-15-8-2-5-11-19(15)24-14-18-16-9-3-4-10-17(16)21(26)25(22(18)27)20-12-6-7-13-23-20/h3-4,6-7,9-10,12-15,18-19H,2,5,8,11H2,1H3/t15-,18?,19+/m1/s1
SMILES: C1COC2(O1)[C@@]3([C@H]([C@@]3(C(=N2)N)C#N)C4=CC5=C(C=C4)OCO5)C#N
InChI: InChI=1S/C16H12N4O4/c17-6-14-12(9-1-2-10-11(5-9)22-8-21-10)15(14,7-18)16(20-13(14)19)23-3-4-24-16/h1-2,5,12H,3-4,8H2,(H2,19,20)/t12-,14+,15+/m0/s1
SMILES: CCC[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC(=CC=C3)F)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H23FN2O4/c1-4-9-19(18(25)26-3)14-13(16(23)22(5-2)17(14)24)15(21-19)11-7-6-8-12(20)10-11/h6-8,10,13-15,21H,4-5,9H2,1-3H3/p+1/t13-,14+,15-,19-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=C(C=C3)N(C)C)(CCSC)C(=O)OC
InChI: InChI=1S/C20H27N3O4S/c1-22(2)13-8-6-12(7-9-13)16-14-15(18(25)23(3)17(14)24)20(21-16,10-11-28-5)19(26)27-4/h6-9,14-16,21H,10-11H2,1-5H3/p+1/t14-,15+,16-,20-/m1/s1
SMILES: CCN1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC4=C(C=C3Cl)OCO4
InChI: InChI=1S/C21H18ClN5O2/c1-2-27-4-3-12-14(7-23)20(26)21(9-24,10-25)19(15(12)8-27)13-5-17-18(6-16(13)22)29-11-28-17/h3,5-6,14-15,19,26H,2,4,8,11H2,1H3/t14?,15-,19-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC2=CC(=O)OC3=C2C=C(C(=C3)C)Cl
InChI: InChI=1S/C16H15ClO4/c1-8-3-11(8)16(19)20-7-10-5-15(18)21-14-4-9(2)13(17)6-12(10)14/h4-6,8,11H,3,7H2,1-2H3/t8-,11-/m0/s1
SMILES: CC1CC2CC=CC(O2)C/C=C\C(=O)O[C@@H]3CC([C@@H](C(CC(=C)C1)O)O)O[C@@H]3/C=C/C4CC(=CCO4)C
InChI: InChI=1S/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20?,22?,23?,24?,25?,26-,27-,28?,30-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3/t15-,18-,20-/m1/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@H]([C@]4([C@@H]3NC(=O)CC4)C(=O)OC)C5=CC=CC=C5
InChI: InChI=1S/C23H22N2O3/c1-25-16-11-7-6-10-15(16)18-20(25)19(14-8-4-3-5-9-14)23(22(27)28-2)13-12-17(26)24-21(18)23/h3-11,19,21H,12-13H2,1-2H3,(H,24,26)/t19-,21-,23-/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H18FNO/c1-12(23)14-7-10-19-18(11-14)16-3-2-4-17(16)20(22-19)13-5-8-15(21)9-6-13/h2-3,5-11,16-17,20,22H,4H2,1H3/t16-,17+,20-/m0/s1
SMILES: CCCCC1=C(N(N=C1C)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NC5CCCC5)C
InChI: InChI=1S/C24H35N7O4/c1-4-5-10-16-13(2)29-31(14(16)3)24-27-21(26-15-8-6-7-9-15)18-22(28-24)30(12-25-18)23-20(34)19(33)17(11-32)35-23/h12,15,17,19-20,23,32-34H,4-11H2,1-3H3,(H,26,27,28)/t17-,19-,20-,23-/m1/s1
SMILES: CC(C)CC(=O)OC(C1CCCCC1)OC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CSC(=N4)N)CSC5=NN=NN5CCN(C)C
InChI: InChI=1S/C30H43N9O6S3/c1-17(2)12-22(41)44-28(18-8-6-5-7-9-18)45-27(43)24-19(15-48-30-34-35-36-38(30)11-10-37(3)4)14-46-26-23(25(42)39(24)26)33-21(40)13-20-16-47-29(31)32-20/h16-18,23,26,28H,5-15H2,1-4H3,(H2,31,32)(H,33,40)/t23-,26-,28?/m1/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C22H19NO4/c24-20-18-17(21(25)26)16-11-12-22(18,27-16)13-23(20)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16-19H,13H2,(H,25,26)/t16-,17+,18-,22-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CNC4=CC(=CC=C4)Cl
InChI: InChI=1S/C16H17ClN2O2/c17-11-2-1-3-12(7-11)18-8-19-15(20)13-9-4-5-10(6-9)14(13)16(19)21/h1-3,7,9-10,13-14,18H,4-6,8H2/t9-,10+,13-,14-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)C5=CC6=CC=CC=C6C=C5O)C
InChI: InChI=1S/C26H30O7/c1-14-8-9-20-15(2)23(30-24-26(20)19(14)10-11-25(3,31-24)32-33-26)29-22(28)18-12-16-6-4-5-7-17(16)13-21(18)27/h4-7,12-15,19-20,23-24,27H,8-11H2,1-3H3/t14-,15-,19+,20+,23+,24-,25+,26-/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C45H54N2O10/c1-5-23-54-45-41(47(2)44(51)53-4)27-38(46-55-29-30-13-7-6-8-14-30)36-25-31(15-9-11-21-48)35(16-10-12-22-49)42(43(36)45)37-26-34(18-20-40(37)57-45)56-33-17-19-39(52-3)32(24-33)28-50/h5-8,13-14,17-20,24-26,28,31,35,41-43,48-49H,1,9-12,15-16,21-23,27,29H2,2-4H3/t31-,35+,41-,42+,43+,45+/m0/s1
SMILES: C1[C@H]([C@H](C(C[C@]1(C(=O)O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O
InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11?,12-,14+,16+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)Cl)O
InChI: InChI=1S/C12H22ClNO8/c13-7-10(20)9(19)6(3-16)21-12(7)22-11-5(17)1-14-4(2-15)8(11)18/h4-12,14-20H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H14Cl2N2O3/c17-12-6-5-9(7-13(12)18)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-2,5-7,10-11H,3-4,8H2,(H,19,21)/t10-,11+
SMILES: CN(C)C(=O)[C@H]1C[C@@H]1[C@@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24N2O3/c1-23(2)20(24)18-13-17(18)19(16-11-7-4-8-12-16)22-21(25)26-14-15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3,(H,22,25)/t17-,18-,19+/m0/s1
SMILES: CC(=O)NC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)[O-])(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C18H26N2O5S/c1-9(22)19-16-20-15-10(6-14(24)25)17(2)5-4-13(23)18(3,8-21)12(17)7-11(15)26-16/h10,12-13,21,23H,4-8H2,1-3H3,(H,24,25)(H,19,20,22)/p-1/t10-,12+,13-,17+,18+/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)C4=CC=CC=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN(C)[C@H](C)[C@H](C6=CC=CC=C6)O
InChI: InChI=1S/C43H48F3N3O6/c1-27-37(25-48(3)28(2)38(51)31-10-5-4-6-11-31)54-41(55-39(27)32-17-15-29(26-50)16-18-32)33-21-19-30(20-22-33)35-13-8-7-12-34(35)24-47-40(52)36-14-9-23-49(36)42(53)43(44,45)46/h4-8,10-13,15-22,27-28,36-39,41,50-51H,9,14,23-26H2,1-3H3,(H,47,52)/t27-,28-,36+,37+,38-,39+,41+/m1/s1
SMILES: CC(=O)[C@H]1CN2[C@@H](COC([C@H]2[C@@H]1CCOC(C)(C)C)O[Si](C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C24H39NO4Si/c1-17(26)20-15-25-21(18-11-9-8-10-12-18)16-27-23(29-30(5,6)7)22(25)19(20)13-14-28-24(2,3)4/h8-12,19-23H,13-16H2,1-7H3/t19-,20-,21+,22-,23?/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C[C@@H]([C@@H]([C@@H]([C@@H]1OC)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H23O4.3C4H9.Sn/c1-23-18-12-13-19(24-14-16-8-4-2-5-9-16)21(20(18)22)25-15-17-10-6-3-7-11-17;3*1-3-4-2;/h2-11,13,18-22H,14-15H2,1H3;3*1,3-4H2,2H3;/t18-,19+,20-,21+;;;;/m1..../s1
SMILES: CCCCCC[C@@H]([C@H](CC=C)OC(=O)CC[C@@H]1[C@H](OC(O1)(C)C)C=C)OCOC
InChI: InChI=1S/C23H40O6/c1-7-10-11-12-14-19(26-17-25-6)20(13-8-2)27-22(24)16-15-21-18(9-3)28-23(4,5)29-21/h8-9,18-21H,2-3,7,10-17H2,1,4-6H3/t18-,19+,20+,21-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)/C=N/NC(=O)[C@H]2[C@H](CNC2=O)C3=CC=CC=C3
InChI: InChI=1S/C20H21N3O4/c1-26-15-8-9-17(27-2)14(10-15)11-22-23-20(25)18-16(12-21-19(18)24)13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11+/t16-,18+/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@H]1C[N+](=O)[O-])CC(=O)OCC(=O)C2=C(C=C(C=C2)C)C
InChI: InChI=1S/C19H23NO6/c1-11-4-5-14(12(2)6-11)18(22)10-26-19(23)8-15-16(9-20(24)25)13(3)7-17(15)21/h4-6,13,15-16H,7-10H2,1-3H3/t13-,15-,16+/m1/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C49H68N2O8S/c1-3-28-57-49-44(51(2)45(54)25-22-35-15-7-8-16-35)34-42(50-59-46-21-11-14-29-56-46)40-32-36(17-9-12-26-52)39(20-10-13-27-53)47(48(40)49)41-33-37(23-24-43(41)58-49)55-30-31-60-38-18-5-4-6-19-38/h3-6,18-19,23-24,32-33,35-36,39,44,46-48,52-53H,1,7-17,20-22,25-31,34H2,2H3/t36-,39+,44-,46?,47+,48+,49+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O[Si](C)(C)C)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O[Si](C)(C)C)C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C32H58O8Si4/c1-19-16-22(33)27(39-43(10,11)12)30(3)21(19)17-23-31-18-35-32(29(30)31,40-44(13,14)15)26(38-42(7,8)9)20(2)24(31)25(28(34)36-23)37-41(4,5)6/h16,20-21,23-27,29H,17-18H2,1-15H3/t20-,21+,23-,24-,25-,26-,27-,29-,30-,31+,32-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]([C@@H]3C(=O)C[C@@H]2C1)CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C23H34O5/c1-13(24)27-16-7-9-22(3)15(11-16)12-19(26)21-17-5-6-20(28-14(2)25)23(17,4)10-8-18(21)22/h15-18,20-21H,5-12H2,1-4H3/t15-,16+,17+,18+,20-,21-,22-,23-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@]2(CC[C@@]1(OO2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C22H26O4/c1-15-16(2)22(18-7-11-20(24-4)12-8-18)14-13-21(15,25-26-22)17-5-9-19(23-3)10-6-17/h5-12,15-16H,13-14H2,1-4H3/t15-,16+,21+,22-
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC45CC6CC(C4)CC(C6)C5)C(=O)C7=CC=C(C=C7)C(F)(F)F)C(=O)NCCO)C=O
InChI: InChI=1S/C36H39F3N2O7/c1-47-28-12-22(17-43)11-25-29-26(33(45)40-6-7-42)13-27(30(44)32(29)48-31(25)28)41(34(46)23-2-4-24(5-3-23)36(37,38)39)18-35-14-19-8-20(15-35)10-21(9-19)16-35/h2-5,11-13,17,19-21,27,29-30,32,42,44H,6-10,14-16,18H2,1H3,(H,40,45)/t19?,20?,21?,27-,29+,30+,32+,35?/m1/s1
SMILES: C[C@@H]1C=C(C[C@H]([C@H]1C(=O)[O-])C(=O)NC2=CC=CC=C2C(=O)OC)C
InChI: InChI=1S/C18H21NO5/c1-10-8-11(2)15(17(21)22)13(9-10)16(20)19-14-7-5-4-6-12(14)18(23)24-3/h4-8,11,13,15H,9H2,1-3H3,(H,19,20)(H,21,22)/p-1/t11-,13-,15+/m1/s1
SMILES: CO[C@@H]1CN(CC[C@@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCNC3=NC4=CC=CC=C4N3
InChI: InChI=1S/C23H29ClN6O3/c1-32-20-12-16(25)15(24)11-14(20)22(31)27-19-7-9-30(13-21(19)33-2)10-8-26-23-28-17-5-3-4-6-18(17)29-23/h3-6,11-12,19,21H,7-10,13,25H2,1-2H3,(H,27,31)(H2,26,28,29)/t19-,21+/m0/s1
SMILES: C[C@@H]1[C@H](OC(=O)N1)CCC(=O)CCCCCCCCCCC2(OCCO2)C
InChI: InChI=1S/C21H37NO5/c1-17-19(27-20(24)22-17)13-12-18(23)11-9-7-5-3-4-6-8-10-14-21(2)25-15-16-26-21/h17,19H,3-16H2,1-2H3,(H,22,24)/t17-,19-/m1/s1
SMILES: COC1=C(C=C(C=C1)C[C@@H]2CO[C@@H]([C@H]2C=C)C3=CC4=C(C=C3)OCO4)OC
InChI: InChI=1S/C22H24O5/c1-4-17-16(9-14-5-7-18(23-2)20(10-14)24-3)12-25-22(17)15-6-8-19-21(11-15)27-13-26-19/h4-8,10-11,16-17,22H,1,9,12-13H2,2-3H3/t16-,17+,22-/m1/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N(CCN3CCOCC3)[C@@H]4CC(=C[C@@H]([C@H]4O)OC5=C(C=C(C=C5I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C33H38IN3O10/c1-43-25-5-3-4-21-17-28(47-30(21)25)33(42)37(8-7-36-9-12-45-13-10-36)24-16-22(32(41)35-6-11-38)18-26(29(24)40)46-31-23(34)14-20(19-39)15-27(31)44-2/h3-5,14-15,17-19,24,26,29,38,40H,6-13,16H2,1-2H3,(H,35,41)/t24-,26+,29+/m1/s1
SMILES: CC1=C2CC[C@@H]([C@]2(CCC(=O)C1)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H32O2Si/c1-13-12-14(19)10-11-18(5)15(13)8-9-16(18)20-21(6,7)17(2,3)4/h16H,8-12H2,1-7H3/t16-,18-/m0/s1
SMILES: C(CCCC[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)CCCCC(=O)CCCO
InChI: InChI=1S/C18H35NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h15-21,23-24H,1-13H2/t15-,16-,17-,18+/m1/s1
SMILES: C/C=C(\CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)C5=CC=C(C=C5)C)C)C)/C(C)C
InChI: InChI=1S/C36H54O4S/c1-8-26(23(2)3)12-11-25(5)30-15-16-31-29-22-34(37)33-21-27(40-41(38,39)28-13-9-24(4)10-14-28)17-19-36(33,7)32(29)18-20-35(30,31)6/h8-10,13-14,23,25,27,29-33H,11-12,15-22H2,1-7H3/b26-8+/t25-,27+,29+,30-,31+,32+,33-,35-,36-/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NN2C(=O)[C@@](NC2=O)(C)CCC3=CC=CC=C3
InChI: InChI=1S/C19H23N3O5/c1-12-10-14(12)16(24)27-11-15(23)21-22-17(25)19(2,20-18(22)26)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,26)(H,21,23)/t12-,14-,19-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC
InChI: InChI=1S/C21H27N3O4S/c1-13-7-6-10-17(14(13)2)24-20(27)15-8-4-5-9-16(15)23-21(24)29-12-18(25)22-11-19(26)28-3/h4-5,8-9,13-14,17H,6-7,10-12H2,1-3H3,(H,22,25)/t13-,14-,17-/m1/s1