EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC[C@@]([C@@H](C1)C2=CC=C(C=C2)F)(C(=O)N/N=C\C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C22H21FN2O3/c1-15-11-12-22(21(27)28,19(13-15)17-7-9-18(23)10-8-17)20(26)25-24-14-16-5-3-2-4-6-16/h2-11,14,19H,12-13H2,1H3,(H,25,26)(H,27,28)/b24-14-/t19-,22+/m0/s1
SMILES: CC1=NC(=NN1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)NCCN5CCCC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI: InChI=1S/C32H38N10O3/c1-20-36-29(40-39-20)27-25(43)26(44)31(45-27)42-19-35-24-28(37-32(38-30(24)42)33-14-17-41-15-8-9-16-41)34-18-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,19,23,25-27,31,43-44H,8-9,14-18H2,1H3,(H,36,39,40)(H2,33,34,37,38)/t25-,26+,27-,31+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC4=CC=CC(=C4)C#N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H44N6O3Si2/c1-28(2,3)39(7,8)36-17-23-22(38-40(9,10)29(4,5)6)15-24(37-23)35-19-33-25-26(31-18-32-27(25)35)34-21-13-11-12-20(14-21)16-30/h11-14,18-19,22-24H,15,17H2,1-10H3,(H,31,32,34)/t22-,23+,24+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]3[C@]24N(O4)S(=O)(=O)CC3
InChI: InChI=1S/C12H19NO3S/c1-10(2)8-4-6-11(10,3)12-9(8)5-7-17(14,15)13(12)16-12/h8-9H,4-7H2,1-3H3/t8-,9+,11-,12-,13?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@]4(CC[C@H]([C@@]([C@H]4CC[C@@]3(C1)CC2=C)(C)CO)O)C
InChI: InChI=1S/C21H34O2/c1-14-11-21-10-6-15-19(3,9-7-17(23)20(15,4)13-22)16(21)5-8-18(14,2)12-21/h15-17,22-23H,1,5-13H2,2-4H3/t15-,16-,17+,18-,19+,20-,21-/m0/s1
SMILES: CC1=C(C=C(C=C1)N[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C
InChI: InChI=1S/C13H19NO4/c1-7-3-4-9(5-8(7)2)14-13-12(17)11(16)10(6-15)18-13/h3-5,10-17H,6H2,1-2H3/t10-,11+,12-,13+/m0/s1
SMILES: C[C@]1([C@@H](OS(=O)(=O)O1)C(=O)OC)CCOCC2=CC=CC=C2
InChI: InChI=1S/C14H18O7S/c1-14(8-9-19-10-11-6-4-3-5-7-11)12(13(15)18-2)20-22(16,17)21-14/h3-7,12H,8-10H2,1-2H3/t12-,14+/m0/s1
SMILES: CC(CC/C=C(/C)\C(=O)O)[C@@H]1CC[C@]2([C@]1(CCC3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI: InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10-/t18?,20-,23?,28+,29-,30+/m0/s1
SMILES: C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)O[C@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)O)O)O)Cl
InChI: InChI=1S/C19H21ClO8/c20-11-5-10-8-3-1-2-4-9(8)18(25)26-12(10)6-13(11)27-19-17(24)16(23)15(22)14(7-21)28-19/h5-6,14-17,19,21-24H,1-4,7H2/t14-,15-,16-,17-,19+/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C24H19N3O3/c1-15(28)22-21(17-7-9-18(10-8-17)23(29)30-2)24(13-25,14-26)20-12-11-16-5-3-4-6-19(16)27(20)22/h3-12,20-22H,1-2H3/t20-,21+,22-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]2C(=O)NNC(=S)NC3=CC(=C(C=C3)F)Cl
InChI: InChI=1S/C18H17ClFN3OS/c1-10-2-4-11(5-3-10)13-9-14(13)17(24)22-23-18(25)21-12-6-7-16(20)15(19)8-12/h2-8,13-14H,9H2,1H3,(H,22,24)(H2,21,23,25)/t13-,14+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]([C@@H]([C@H](O1)CI)O)N=[N+]=[N-]
InChI: InChI=1S/C12H24IN3O3Si/c1-12(2,3)20(4,5)19-10-6-8(15-16-14)11(17)9(7-13)18-10/h8-11,17H,6-7H2,1-5H3/t8-,9+,10-,11-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)C1CC[C@@H]2[C@@]1(CCC=C2C3=CC=C(C=C3)CCO)C
InChI: InChI=1S/C26H40O2/c1-19(7-5-16-25(2,3)28)23-13-14-24-22(8-6-17-26(23,24)4)21-11-9-20(10-12-21)15-18-27/h8-12,19,23-24,27-28H,5-7,13-18H2,1-4H3/t19-,23?,24+,26-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3[N+](=O)[O-])C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C22H18N2O2/c25-24(26)20-13-5-12-19-16-9-4-11-18(16)21(23-22(19)20)17-10-3-7-14-6-1-2-8-15(14)17/h1-10,12-13,16,18,21,23H,11H2/t16-,18+,21-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C31H26BrNO7/c1-14-10-22(35)26-21(29(14)36)13-20-18(27(26)28-23(39-2)11-17(34)12-24(28)40-3)8-9-19-25(20)31(38)33(30(19)37)16-6-4-15(32)5-7-16/h4-8,10-12,19-20,25,27,34H,9,13H2,1-3H3/t19-,20+,25-,27-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)O
InChI: InChI=1S/C30H25BrCl2N2O9/c1-2-44-21-9-13(3-8-19(21)36)23-15-6-7-17-22(18(15)11-29(32)27(42)34(12-31)28(43)30(23,29)33)25(39)35(24(17)38)14-4-5-16(26(40)41)20(37)10-14/h3-6,8-10,17-18,22-23,36-37H,2,7,11-12H2,1H3,(H,40,41)/t17-,18+,22-,23-,29+,30-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C3=C([C@H]([C@H](C(=O)O3)NC(=O)C)C4=CC=C(C=C4)OC)SC2=S
InChI: InChI=1S/C22H20N2O4S2/c1-12-4-8-15(9-5-12)24-20-19(30-22(24)29)17(14-6-10-16(27-3)11-7-14)18(21(26)28-20)23-13(2)25/h4-11,17-18H,1-3H3,(H,23,25)/t17-,18+/m0/s1
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)[C@@H]3[C@@H](O3)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C26H20O3/c27-24(22-12-6-7-13-23(22)28-17-18-8-2-1-3-9-18)26-25(29-26)21-15-14-19-10-4-5-11-20(19)16-21/h1-16,25-26H,17H2/t25-,26+/m0/s1
SMILES: C[C@H](CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC[C@H]7[C@@]6(CC[C@H](C7)OCC8=CC=CC=C8)C)C.[Br-]
InChI: InChI=1S/C49H62OP.BrH/c1-37(17-16-34-51(41-20-10-5-11-21-41,42-22-12-6-13-23-42)43-24-14-7-15-25-43)45-28-29-46-44-27-26-39-35-40(50-36-38-18-8-4-9-19-38)30-32-48(39,2)47(44)31-33-49(45,46)3;/h4-15,18-25,37,39-40,44-47H,16-17,26-36H2,1-3H3;1H/q+1;/p-1/t37-,39-,40-,44+,45-,46+,47+,48+,49-;/m1./s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C7=CC=C(C=C7)Br)Cl
InChI: InChI=1S/C31H23BrCl2N2O5/c1-35-28(40)30(33)14-21-19(11-12-20-23(21)27(39)36(26(20)38)17-9-7-16(32)8-10-17)25(31(30,34)29(35)41)24-18-5-3-2-4-15(18)6-13-22(24)37/h2-11,13,20-21,23,25,37H,12,14H2,1H3/t20-,21+,23-,25+,30+,31-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
InChI: InChI=1S/C17H22N2O5/c1-11-5-3-4-6-14(11)18-16(20)10-24-17(21)13-8-7-12(2)15(9-13)19(22)23/h7-9,11,14H,3-6,10H2,1-2H3,(H,18,20)/t11-,14+/m0/s1
SMILES: C[C@@]12C[C@@H]3[C@@]1([C@H]4[C@@H]2C[C@@H]3CN4C(=O)OC)C(=O)OC
InChI: InChI=1S/C14H19NO4/c1-13-5-9-7-4-8(13)10(14(9,13)11(16)18-2)15(6-7)12(17)19-3/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10-,13+,14-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C/C(=N/N)/C=C[C@]34C
InChI: InChI=1S/C19H26N2O/c1-18-9-7-13(21-20)11-12(18)3-4-14-15-5-6-17(22)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10,20H2,1-2H3/b21-13+/t14-,15-,16-,18-,19-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H26FN3O/c20-16-3-5-17(6-4-16)23-9-7-22(8-10-23)13-19(24)21-18-12-14-1-2-15(18)11-14/h3-6,14-15,18H,1-2,7-13H2,(H,21,24)/t14-,15+,18-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=CC4=C(S3)C=CC(=C4)F
InChI: InChI=1S/C18H20FNOS/c19-15-5-6-16-14(9-15)10-17(22-16)18(21)20-8-7-12-3-1-2-4-13(12)11-20/h5-6,9-10,12-13H,1-4,7-8,11H2/t12-,13+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@]24CCC(C(=O)O4)(C)C)CCC5=C3C=CC(=C5)C(=O)N
InChI: InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18?,19?,20?,24-,25+/m0/s1
SMILES: CCCN(CC)C(=O)C([C@H]1C[C@](C[C@@H]1N=C(N)N)(C(=O)O)O)NC(=O)C
InChI: InChI=1S/C16H29N5O5/c1-4-6-21(5-2)13(23)12(19-9(3)22)10-7-16(26,14(24)25)8-11(10)20-15(17)18/h10-12,26H,4-8H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,11-,12?,16-/m0/s1
SMILES: C=C1[C@H]([C@@H](N2C(=NC(=N2)SCC3=CC=CC=C3)N1)C4=CC=C(C=C4)Cl)C(=O)N
InChI: InChI=1S/C20H18ClN5OS/c1-12-16(18(22)27)17(14-7-9-15(21)10-8-14)26-19(23-12)24-20(25-26)28-11-13-5-3-2-4-6-13/h2-10,16-17H,1,11H2,(H2,22,27)(H,23,24,25)/t16-,17+/m1/s1
SMILES: C[C@H]1CC/C=C(/CC[C@H](C(=O)[C@H]([C@H](CC(=O)C1)C(=O)OC)[S@](=O)C2=CC=CC=C2)C(C)C)\C
InChI: InChI=1S/C27H38O5S/c1-18(2)23-15-14-19(3)10-9-11-20(4)16-21(28)17-24(27(30)32-5)26(25(23)29)33(31)22-12-7-6-8-13-22/h6-8,10,12-13,18,20,23-24,26H,9,11,14-17H2,1-5H3/b19-10+/t20-,23-,24-,26-,33+/m0/s1
SMILES: CN1C=C2C(=CC(=C2C(=C1)C(=O)OC)[C@H]3[C@H]4[C@H](CC=C4CO)C(=CN3C)C(=O)OC)[C@H]5[C@H]6[C@H](CC=C6CO)C(=CN5C)C(=O)OC
InChI: InChI=1S/C35H41N3O8/c1-36-12-24-22(31-28-18(16-39)7-9-20(28)25(14-37(31)2)33(41)44-4)11-23(30(24)27(13-36)35(43)46-6)32-29-19(17-40)8-10-21(29)26(15-38(32)3)34(42)45-5/h7-8,11-15,20-21,28-29,31-32,39-40H,9-10,16-17H2,1-6H3/t20-,21-,28-,29-,31+,32+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)CCCC(=O)O
InChI: InChI=1S/C23H29N5O5/c1-28(2)15-8-6-14(7-9-15)16-10-11-24-23(26-16)27-18-13-33-21-17(12-32-22(18)21)25-19(29)4-3-5-20(30)31/h6-11,17-18,21-22H,3-5,12-13H2,1-2H3,(H,25,29)(H,30,31)(H,24,26,27)/t17-,18-,21+,22+/m0/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CC(=C(C=C4)OC)OC)O)C
InChI: InChI=1S/C25H35NO5/c1-15-6-5-7-17-13-21-22(23(27)25(15,17)2)18(24(28)31-21)14-26-11-10-16-8-9-19(29-3)20(12-16)30-4/h7-9,12,15,18,21-23,26-27H,5-6,10-11,13-14H2,1-4H3/t15-,18-,21+,22+,23+,25+/m0/s1
SMILES: COC(=O)[C@@]1(CCCC=C1O[C@H]2CCCCC[C@@H]2O[Si](C)(C)C)O
InChI: InChI=1S/C18H32O5Si/c1-21-17(19)18(20)13-9-8-12-16(18)22-14-10-6-5-7-11-15(14)23-24(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3/t14-,15-,18-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=S)SCC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C36H54O2S2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-22-28(18-20-35(27,4)32(29)19-21-36(30,31)5)38-34(39)40-23-33(37)26-12-7-6-8-13-26/h6-8,12-13,24-25,27-32H,9-11,14-23H2,1-5H3/t25-,27+,28+,29+,30-,31+,32+,35+,36-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C(=O)O)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
InChI: InChI=1S/C39H39NO21/c1-9-4-15-21(29(48)18(9)35(52)40-23(36(53)54)37(55)56)20-13(7-14-22(30(20)49)26(45)12-5-11(57-3)6-16(41)19(12)25(14)44)27(46)33(15)60-39-32(51)34(24(43)10(2)59-39)61-38-31(50)28(47)17(42)8-58-38/h4-7,10,17,23-24,27-28,31-34,38-39,41-43,46-51H,8H2,1-3H3,(H,40,52)(H,53,54)(H,55,56)/t10-,17-,24+,27+,28+,31-,32-,33+,34+,38+,39+/m1/s1
SMILES: CC1=CN=C(S1)[C@H]2[C@H](C[C@@](N2C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)(CN4C=CC=N4)C(=O)O)C5=NC=CN=C5
InChI: InChI=1S/C29H32N6O4S/c1-18-15-32-25(40-18)24-20(22-16-30-10-11-31-22)14-29(27(37)38,17-34-12-6-9-33-34)35(24)26(36)19-7-8-21(28(2,3)4)23(13-19)39-5/h6-13,15-16,20,24H,14,17H2,1-5H3,(H,37,38)/t20-,24-,29-/m1/s1
SMILES: CC1=C(SC(=N1)NC2=CC3=C(C=C2)OCCO3)C(=O)N[C@H]4CCC[C@@H]4OCC5=CC=CC=C5
InChI: InChI=1S/C25H27N3O4S/c1-16-23(33-25(26-16)27-18-10-11-21-22(14-18)31-13-12-30-21)24(29)28-19-8-5-9-20(19)32-15-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19-20H,5,8-9,12-13,15H2,1H3,(H,26,27)(H,28,29)/t19-,20-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN(CCC5=CC=CS5)C(=O)NC6=CC=C(C=C6)OC)O)C)O
InChI: InChI=1S/C34H44N2O4S/c1-32-16-12-25(37)21-23(32)6-11-28-29(32)13-17-33(2)30(28)14-18-34(33,39)22-36(19-15-27-5-4-20-41-27)31(38)35-24-7-9-26(40-3)10-8-24/h4-11,20,25,29-30,37,39H,12-19,21-22H2,1-3H3,(H,35,38)/t25-,29-,30-,32-,33-,34+/m0/s1
SMILES: CC1=NN=C2N1N[C@H]([C@H](S2)C(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H17ClN4O3S/c1-11-22-23-20-25(11)24-17(12-2-5-14(21)6-3-12)19(29-20)18(26)13-4-7-15-16(10-13)28-9-8-27-15/h2-7,10,17,19,24H,8-9H2,1H3/t17-,19-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N
InChI: InChI=1S/C22H29N3O3/c1-15-6-5-7-20(16(15)2)24-21(26)14-28-22(27)18(13-23)12-17-8-10-19(11-9-17)25(3)4/h8-12,15-16,20H,5-7,14H2,1-4H3,(H,24,26)/b18-12+/t15-,16-,20-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
InChI: InChI=1S/C31H29ClO3/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,33H,1-2H3/t27-,28-/m1/s1
SMILES: CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)CO)C)C(=O)OC
InChI: InChI=1S/C14H26O4/c1-5-11(14(16)17-4)12-7-6-9(2)13(18-12)10(3)8-15/h9-13,15H,5-8H2,1-4H3/t9-,10-,11+,12+,13+/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=C(C=C6)Br
InChI: InChI=1S/C27H18BrNO5/c28-17-12-10-16(11-13-17)22-20-21(26(33)29(25(20)32)14-15-6-2-1-3-7-15)27(34-22)23(30)18-8-4-5-9-19(18)24(27)31/h1-13,20-22H,14H2/t20-,21+,22+/m0/s1
SMILES: CCN(CC)CCN(CC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
InChI: InChI=1S/C47H67N3O13/c1-13-49(14-2)20-21-50(15-3)35(52)24-60-34-23-32-42(56)37-36(34)38-44(30(9)41(37)55)63-47(11,45(38)57)61-22-19-33(59-12)27(6)43(62-31(10)51)29(8)40(54)28(7)39(53)25(4)17-16-18-26(5)46(58)48-32/h16-19,22-23,25,27-29,33,39-40,43,53-56H,13-15,20-21,24H2,1-12H3,(H,48,58)/b17-16+,22-19+,26-18-/t25-,27+,28+,29+,33-,39-,40+,43+,47-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C28H25ClN2O5/c1-28-20(25(34)31(27(28)36)15-6-4-3-5-7-15)13-18-16(23(28)19-12-14(29)8-11-21(19)32)9-10-17-22(18)26(35)30(2)24(17)33/h3-9,11-12,17-18,20,22-23,32H,10,13H2,1-2H3/t17-,18+,20-,22-,23+,28+/m0/s1
SMILES: C[C@@H]1CC(=NC1)C(=O)[C@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C
InChI: InChI=1S/C33H51NO8/c1-16-11-24(34-14-16)27(37)17(2)20-5-6-21-19-13-25(36)23-12-18(7-9-33(23,4)22(19)8-10-32(20,21)3)41-31-30(40)29(39)28(38)26(15-35)42-31/h16-23,26,28-31,35,38-40H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,21+,22+,23-,26-,28-,29+,30-,31-,32-,33-/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)CO)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C19H25N5O2/c25-13-16-10-24(22-21-16)11-17-8-15-6-7-23(17)12-18(15)19(26)20-9-14-4-2-1-3-5-14/h1-5,10,15,17-18,25H,6-9,11-13H2,(H,20,26)/p+1/t15-,17-,18+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O
InChI: InChI=1S/C14H14N2O5/c17-12-6-5-8(16(20)21)7-11(12)15-13(18)9-3-1-2-4-10(9)14(15)19/h5-7,9-10,17H,1-4H2/t9-,10-/m1/s1
SMILES: CC(=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C
InChI: InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4
InChI: InChI=1S/C22H29N3O3S/c1-15-7-2-4-10-18(15)23-20(26)14-29-22-24-19-11-5-3-9-17(19)21(27)25(22)13-16-8-6-12-28-16/h3,5,9,11,15-16,18H,2,4,6-8,10,12-14H2,1H3,(H,23,26)/t15-,16-,18-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C[C@@]3([C@@]14[C@@H](O4)[C@@H](C[C@@H]3OC(=O)C5=CC=CC=C5)C(C)(C)O)C)OC(O2)(C)C
InChI: InChI=1S/C25H34O6/c1-14-19-17(29-23(4,5)30-19)13-24(6)18(28-21(26)15-10-8-7-9-11-15)12-16(22(2,3)27)20-25(14,24)31-20/h7-11,14,16-20,27H,12-13H2,1-6H3/t14-,16-,17+,18+,19-,20+,24+,25+/m1/s1
SMILES: CC[C@]1([C@@](N(C(=O)O1)CCC2=C(NC3=C2C=CC=C3Cl)C)(C)O)C
InChI: InChI=1S/C18H23ClN2O3/c1-5-17(3)18(4,23)21(16(22)24-17)10-9-12-11(2)20-15-13(12)7-6-8-14(15)19/h6-8,20,23H,5,9-10H2,1-4H3/t17-,18+/m0/s1
SMILES: COC1=CC=CC(=C1O)[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)O
InChI: InChI=1S/C33H27ClFN3O7/c1-45-25-4-2-3-22(28(25)39)27-20-13-14-21-26(31(42)38(44)29(21)40)23(20)15-24-30(41)37(36-19-11-9-18(35)10-12-19)32(43)33(24,27)16-5-7-17(34)8-6-16/h2-13,21,23-24,26-27,36,39,44H,14-15H2,1H3/t21-,23+,24-,26-,27+,33+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N
InChI: InChI=1S/C18H22N2O2/c1-13-5-3-4-6-17(13)20-18(21)15(12-19)11-14-7-9-16(22-2)10-8-14/h7-11,13,17H,3-6H2,1-2H3,(H,20,21)/b15-11+/t13-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC(=C(C=C3O2)OC)O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C22H18N2O8/c1-30-16-5-3-12(4-6-16)22-21(17-10-18(25)20(31-2)11-19(17)32-22)13-7-14(23(26)27)9-15(8-13)24(28)29/h3-11,21-22,25H,1-2H3/t21-,22+/m0/s1
SMILES: CC(=O)O[C@H]1CO[C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C38H44O12/c1-25(39)46-33-24-44-31(22-42-19-28-13-7-4-8-14-28)34(33)50-38-37(45-21-30-17-11-6-12-18-30)36(48-27(3)41)35(47-26(2)40)32(49-38)23-43-20-29-15-9-5-10-16-29/h4-18,31-38H,19-24H2,1-3H3/t31-,32-,33+,34-,35-,36+,37-,38-/m1/s1
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C22H34O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h14,16-19H,4-13H2,1-3H3/t14?,16-,17-,18-,19-,21-,22-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCNC(=S)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O
InChI: InChI=1S/C37H39N4O20P3S/c1-19-17-41(37(48)40-34(19)45)31-16-29(30(58-31)18-56-63(52,53)61-64(54,55)60-62(49,50)51)59-32(44)5-3-2-4-12-38-36(65)39-20-6-9-23(26(13-20)35(46)47)33-24-10-7-21(42)14-27(24)57-28-15-22(43)8-11-25(28)33/h6-11,13-15,17,29-31,42H,2-5,12,16,18H2,1H3,(H,46,47)(H,52,53)(H,54,55)(H2,38,39,65)(H,40,45,48)(H2,49,50,51)/t29-,30+,31+/m0/s1
SMILES: CC1=CC[C@H]2[C@]([C@@H]1CC/C(=C/COC(=O)C)/C)(C[C@@H]([C@@H](C2(C)C)O)O)C
InChI: InChI=1S/C22H36O4/c1-14(11-12-26-16(3)23)7-9-17-15(2)8-10-19-21(4,5)20(25)18(24)13-22(17,19)6/h8,11,17-20,24-25H,7,9-10,12-13H2,1-6H3/b14-11+/t17-,18+,19-,20+,22+/m1/s1
SMILES: CC1(O[C@@H]2C[C@@H](C[C@H]([C@@H]2O1)O[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-9-10(16)8-11-13(12)18-15(4,5)17-11/h10-13,16H,8-9H2,1-7H3/t10-,11+,12+,13+/m0/s1
SMILES: CC1=CC=CC=C1C2=NC=C(C=C2)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NO
InChI: InChI=1S/C19H21N3O3/c1-12-5-2-3-6-14(12)16-10-9-13(11-20-16)18(23)21-17-8-4-7-15(17)19(24)22-25/h2-3,5-6,9-11,15,17,25H,4,7-8H2,1H3,(H,21,23)(H,22,24)/t15-,17+/m0/s1
SMILES: CC(C)([C@@H]1[C@@H](C(=O)N1C2CCCCC2)OCC3=CC=CC=C3)Cl
InChI: InChI=1S/C19H26ClNO2/c1-19(2,20)17-16(23-13-14-9-5-3-6-10-14)18(22)21(17)15-11-7-4-8-12-15/h3,5-6,9-10,15-17H,4,7-8,11-13H2,1-2H3/t16-,17-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=C(C=C(C=C3)OC)OC)C(=O)OC4=CC5=CC=CC=C5C=C4)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(C=C7)OC)C
InChI: InChI=1S/C50H55NO8/c1-33-9-8-25-49(2)45(43-23-13-34(27-39(52)18-12-33)28-44(43)47(53)36-15-19-40(56-3)20-16-36)24-26-50(49,55)32-51(31-38-17-21-41(57-4)30-46(38)58-5)48(54)59-42-22-14-35-10-6-7-11-37(35)29-42/h6-7,9-11,13-17,19-23,28-30,39,45,52,55H,8,12,18,24-27,31-32H2,1-5H3/t39-,45-,49-,50+/m0/s1
SMILES: C/C(=C\C(=O)OC)/CC[C@@H]1[C@@](O1)(C)CC[C@@H]2C(O2)(C)C
InChI: InChI=1S/C16H26O4/c1-11(10-14(17)18-5)6-7-13-16(4,20-13)9-8-12-15(2,3)19-12/h10,12-13H,6-9H2,1-5H3/b11-10+/t12-,13-,16-/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C17H14BrNO3S/c1-11-8-16(11)17-7-4-13(22-17)9-15(10-19)23(20,21)14-5-2-12(18)3-6-14/h2-7,9,11,16H,8H2,1H3/b15-9+/t11-,16+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]([C@H]2[C@@H]1C2)N3C=NC4=C3N=CN=C4Cl
InChI: InChI=1S/C13H13ClN4O2/c1-6(19)20-10-3-9(7-2-8(7)10)18-5-17-11-12(14)15-4-16-13(11)18/h4-5,7-10H,2-3H2,1H3/t7-,8+,9+,10+/m1/s1
SMILES: C[C@]12CC[C@H]3CCCC[C@]3([C@H](O1)S(=O)(=O)C4=CC=C(C=C4)Cl)OO2
InChI: InChI=1S/C17H21ClO5S/c1-16-11-9-12-4-2-3-10-17(12,23-22-16)15(21-16)24(19,20)14-7-5-13(18)6-8-14/h5-8,12,15H,2-4,9-11H2,1H3/t12-,15-,16+,17+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI: InChI=1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
SMILES: CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI: InChI=1S/C32H29Br2NO4/c1-2-3-4-5-10-19-39-30(38)20-15-17-21(18-16-20)35-28(36)26-27(29(35)37)32(34)23-12-7-6-11-22(23)31(26,33)24-13-8-9-14-25(24)32/h6-9,11-18,26-27H,2-5,10,19H2,1H3/t26-,27-,31?,32?/m1/s1
SMILES: COC(=O)CC[C@H]1[C@@H](C(=O)N(C1=O)C2=CC=CC=C2)SC3=CC=CC=N3
InChI: InChI=1S/C19H18N2O4S/c1-25-16(22)11-10-14-17(26-15-9-5-6-12-20-15)19(24)21(18(14)23)13-7-3-2-4-8-13/h2-9,12,14,17H,10-11H2,1H3/t14-,17-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C4=CC=CC=C4C(=O)N(C3=O)CC(=O)O
InChI: InChI=1S/C20H17NO5/c1-11-8-15(11)17-7-6-12(26-17)9-16-13-4-2-3-5-14(13)19(24)21(20(16)25)10-18(22)23/h2-7,9,11,15H,8,10H2,1H3,(H,22,23)/b16-9-/t11-,15+/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)O)/C
InChI: InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1
SMILES: CC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(COC3=C4C=CC(=O)OC4=CC5=C3C=CO5)C(C)(C)O
InChI: InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20?,22-,23+,26-,27+/m1/s1
SMILES: [B-]P(=O)(OCCCCCCCCCCCCCCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI: InChI=1S/C26H45BN5O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-39(27,35)37-20-23-22(30-31-28)18-24(38-23)32-19-21(2)25(33)29-26(32)34/h19,22-24H,3-18,20H2,1-2H3,(H,29,33,34)/q-1/t22-,23+,24+,39?/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H13NO3S/c17-15-14(13(16-15)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C19H16N4/c20-10-16-14-8-4-5-9-15(14)17(13-6-2-1-3-7-13)19(11-21,12-22)18(16)23/h1-3,6-8,15,17H,4-5,9,23H2/t15-,17-/m1/s1
SMILES: C1CC[C@]2([C@H](C1)[C@@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)[NH+]5CCCC5
InChI: InChI=1S/C23H28N2O/c1-3-11-19(12-4-1)22-21-15-7-8-16-23(21,24-17-9-10-18-24)26-25(22)20-13-5-2-6-14-20/h1-6,11-14,21-22H,7-10,15-18H2/p+1/t21-,22+,23+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](/C=C(/C(=O)O1)\C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCC4=CC=CC=C4)C
InChI: InChI=1S/C40H62N2O9/c1-12-31-40(8)34(42(38(46)51-40)20-16-19-29-17-14-13-15-18-29)28(6)32(43)26(4)23-39(7,47-11)35(24(2)21-25(3)36(45)49-31)50-37-33(44)30(41(9)10)22-27(5)48-37/h13-15,17-18,21,24,26-28,30-31,33-35,37,44H,12,16,19-20,22-23H2,1-11H3/b25-21+/t24-,26+,27+,28-,30-,31+,33+,34+,35+,37-,39+,40+/m0/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@H]1CC/C(=C/CC/C(=N\O)/C)/C)(CCCC2(C)C)C
InChI: InChI=1S/C23H39NO/c1-17(9-7-10-19(3)24-25)11-13-20-18(2)12-14-21-22(4,5)15-8-16-23(20,21)6/h9,12,20-21,25H,7-8,10-11,13-16H2,1-6H3/b17-9+,24-19-/t20-,21-,23+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H](N(C(=O)O1)[C@H](C)C2=CC=CC=C2)CC(=O)O)I
InChI: InChI=1S/C15H18INO4/c1-9(16)14-12(8-13(18)19)17(15(20)21-14)10(2)11-6-4-3-5-7-11/h3-7,9-10,12,14H,8H2,1-2H3,(H,18,19)/t9-,10-,12+,14-/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)F
InChI: InChI=1S/C24H19FN2O3/c25-18-11-7-10-17(14-18)21-20-22(30-27(21)19-12-5-2-6-13-19)24(29)26(23(20)28)15-16-8-3-1-4-9-16/h1-14,20-22H,15H2/t20-,21+,22-/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)CCCC(=O)O)CSC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C38H39NO8S/c1-24-32(23-48-33-10-5-4-9-31(33)37(44)45)46-38(47-36(24)27-15-13-25(22-40)14-16-27)28-19-17-26(18-20-28)30-8-3-2-7-29(30)21-39-34(41)11-6-12-35(42)43/h2-5,7-10,13-20,24,32,36,38,40H,6,11-12,21-23H2,1H3,(H,39,41)(H,42,43)(H,44,45)/t24-,32+,36+,38+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)F
InChI: InChI=1S/C27H18FNO5/c28-17-12-10-16(11-13-17)22-20-21(26(33)29(25(20)32)14-15-6-2-1-3-7-15)27(34-22)23(30)18-8-4-5-9-19(18)24(27)31/h1-13,20-22H,14H2/t20-,21+,22+/m1/s1
SMILES: CCCCCCCCCCC[C@@H]1[C@@]([C@H](C(=O)O1)O)(C(=O)SCC)O
InChI: InChI=1S/C18H32O5S/c1-3-5-6-7-8-9-10-11-12-13-14-18(22,17(21)24-4-2)15(19)16(20)23-14/h14-15,19,22H,3-13H2,1-2H3/t14-,15+,18-/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC=CC=C6C7=CC=CC=C7)C)O)C(=O)OCC
InChI: InChI=1S/C41H51NO5/c1-5-24-42(36(45)47-6-2)27-40(46)21-18-34-38(40,4)20-17-33-37(3)19-16-29(43)25-39(37)22-23-41(33,34)32(26-39)35(44)31-15-11-10-14-30(31)28-12-8-7-9-13-28/h7-15,22-23,26,29,33-34,43,46H,5-6,16-21,24-25,27H2,1-4H3/t29?,33-,34-,37-,38+,39+,40-,41-/m1/s1