EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)O)N2C3=CC(=CC=C3)F
InChI: InChI=1S/C15H15FN2O6S2/c16-9-2-1-3-10(4-9)18-11-7-26(22,23)8-12(11)25-15(18)17-13(19)5-24-6-14(20)21/h1-4,11-12H,5-8H2,(H,20,21)/t11-,12-/m1/s1
SMILES: C[C@@]1(CCCC2=CC(=O)O[C@@H]21)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H28O3Si/c1-15(2,3)20(5,6)18-11-16(4)9-7-8-12-10-13(17)19-14(12)16/h10,14H,7-9,11H2,1-6H3/t14-,16+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)O
InChI: InChI=1S/C24H30O7S/c1-4-32-24-19(25)20(29-14-16-8-6-5-7-9-16)21(22(31-24)23(26)28-3)30-15-17-10-12-18(27-2)13-11-17/h5-13,19-22,24-25H,4,14-15H2,1-3H3/t19-,20-,21+,22+,24+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=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)OCC(F)(F)F)OC(O5)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C48H52F3N3O12/c1-45(2,3)63-37(57)22-20-33(27-55)52-42(58)34-18-11-23-53(34)44(60)46-25-35-38-39(65-48(64-38,31-14-6-4-7-15-31)32-16-8-5-9-17-32)41(46)66-54(40(46)43(59)62-35)26-30-13-10-12-29(24-30)19-21-36(56)61-28-47(49,50)51/h4-10,12-17,19,21,24,33-35,38-41,55H,11,18,20,22-23,25-28H2,1-3H3,(H,52,58)/t33-,34+,35+,38-,39-,40-,41+,46-/m0/s1
SMILES: CC1=CC(=C(C=C1)C(=O)OC[C@@H]2CCC[NH+]3[C@@H]2CCCC3)C
InChI: InChI=1S/C19H27NO2/c1-14-8-9-17(15(2)12-14)19(21)22-13-16-6-5-11-20-10-4-3-7-18(16)20/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3/p+1/t16-,18+/m0/s1
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OC3=CC=C(C=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N
InChI: InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/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=CC(=C(C=C7)O)F)C(=O)N(C5=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C40H32FN3O8/c1-20-7-10-23(11-8-20)42-44-36(48)29-19-28-25(14-15-27-33(28)37(49)43(35(27)47)24-12-13-26(38(50)51)32(46)18-24)34(21-9-16-31(45)30(41)17-21)40(29,39(44)52)22-5-3-2-4-6-22/h2-14,16-18,27-29,33-34,42,45-46H,15,19H2,1H3,(H,50,51)/t27-,28+,29-,33-,34-,40+/m0/s1
SMILES: C1C=C(C[C@@H]2[C@H]([C@H]1C(=O)N2CC3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4Br
InChI: InChI=1S/C22H21BrN2O3/c23-17-8-4-5-9-18(17)24-21(27)15-10-11-16-20(26)19(12-15)25(22(16)28)13-14-6-2-1-3-7-14/h1-10,16,19-20,26H,11-13H2,(H,24,27)/t16-,19+,20-/m0/s1
SMILES: CC1=CC[C@H]([C@@H](C1)C2=CC=CC=C2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C22H20N2O3/c1-14-11-12-16(19(13-14)15-7-3-2-4-8-15)20(25)23-24-21(26)17-9-5-6-10-18(17)22(24)27/h2-11,16,19H,12-13H2,1H3,(H,23,25)/t16-,19+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC(=C(C=C24)O)O)COC3=O
InChI: InChI=1S/C21H22O7/c1-25-16-6-11(7-17(26-2)20(16)27-3)18-13-8-15(23)14(22)5-10(13)4-12-9-28-21(24)19(12)18/h5-8,12,18-19,22-23H,4,9H2,1-3H3/t12-,18+,19-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](CC#N)NCC2CC2)[C@@H](CC#N)NCC3CC3)C
InChI: InChI=1S/C19H30N4O2/c1-19(2)24-17(15(7-9-20)22-11-13-3-4-13)18(25-19)16(8-10-21)23-12-14-5-6-14/h13-18,22-23H,3-8,11-12H2,1-2H3/t15-,16-,17+,18+/m1/s1
SMILES: CN1C(=O)C(=C(N=C1OC)N)N[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
InChI: InChI=1S/C11H18N4O6/c1-15-10(19)5(8(12)14-11(15)20-2)13-9-7(18)6(17)4(16)3-21-9/h4,6-7,9,13,16-18H,3,12H2,1-2H3/t4-,6+,7-,9-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H19NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-7,12-13H,8-9H2,1-2H3,(H,17,18)(H,19,20)/p-1/t12-,13-/m0/s1
SMILES: CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24N2O5/c1-12-9-17(13(2)23(12)14-7-8-14)18(24)11-28-19(25)10-22-20(26)15-5-3-4-6-16(15)21(22)27/h3-4,9,14-16H,5-8,10-11H2,1-2H3/t15-,16+
SMILES: C1[C@H]([C@]2(C[C@@]1([C@H]2OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)NN
InChI: InChI=1S/C29H32N2O4/c30-31-26(32)25-16-28(21-33-17-22-10-4-1-5-11-22)20-29(25,35-19-24-14-8-3-9-15-24)27(28)34-18-23-12-6-2-7-13-23/h1-15,25,27H,16-21,30H2,(H,31,32)/t25-,27+,28+,29-/m0/s1
SMILES: CC1C(OC2(O1)C=CC(=O)[C@@H]3[C@H]2ON4[C@@H]3CCCC4)C
InChI: InChI=1S/C15H21NO4/c1-9-10(2)19-15(18-9)7-6-12(17)13-11-5-3-4-8-16(11)20-14(13)15/h6-7,9-11,13-14H,3-5,8H2,1-2H3/t9?,10?,11-,13-,14-,15?/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=CC=C4Br)C
InChI: InChI=1S/C19H25BrO6/c1-18(2)22-10-13(24-18)14-15(16-17(23-14)26-19(3,4)25-16)21-9-11-7-5-6-8-12(11)20/h5-8,13-17H,9-10H2,1-4H3/t13-,14-,15-,16-,17-/m1/s1
SMILES: CC[NH+](CC)CCC(=O)O[C@H]1CCCC[C@@H]1[S@](=O)CC2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C24H39NO3S/c1-6-25(7-2)17-16-23(26)28-21-10-8-9-11-22(21)29(27)18-19-12-14-20(15-13-19)24(3,4)5/h12-15,21-22H,6-11,16-18H2,1-5H3/p+1/t21-,22-,29+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)N5)O)C8=CC=CC=C8C(=C6O)O
InChI: InChI=1S/C28H28N2O4/c31-19-8-7-15-11-20-28(34)12-18-16-3-1-2-4-17(16)24(32)25(33)21(18)26-27(28,22(15)23(19)29-26)9-10-30(20)13-14-5-6-14/h1-4,7-8,14,20,26,29,31-34H,5-6,9-13H2/t20?,26-,27-,28+/m0/s1
SMILES: COC1[C@H]([C@@H]1C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3
InChI: InChI=1S/C17H15F3O/c1-21-16-14(11-5-3-2-4-6-11)15(16)12-7-9-13(10-8-12)17(18,19)20/h2-10,14-16H,1H3/t14-,15-,16?/m0/s1
SMILES: CCCC1([C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O1)C=C3)CCC
InChI: InChI=1S/C15H22O2/c1-3-7-15(8-4-2)13-11-6-5-10(9-11)12(13)14(16)17-15/h5-6,10-13H,3-4,7-9H2,1-2H3/t10-,11+,12-,13+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2=C(CCC[C@]12C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H36O2S/c1-18(2)10-8-11-19(3)21-15-16-22-23(14-9-17-24(21,22)4)27(25,26)20-12-6-5-7-13-20/h5-7,12-13,18-19,21H,8-11,14-17H2,1-4H3/t19-,21-,24-/m1/s1
SMILES: CCCCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5
InChI: InChI=1S/C26H26N2O4S/c1-2-3-7-16-31-20-14-12-18(13-15-20)27-25(29)22-23(21-11-8-17-33-21)28(32-24(22)26(27)30)19-9-5-4-6-10-19/h4-6,8-15,17,22-24H,2-3,7,16H2,1H3/t22-,23-,24-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCN([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)[C@H](CC(C)C)N)C(=O)CCCCCCCCCCC
InChI: InChI=1S/C42H83N3O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-45(37(47)30-28-26-24-22-14-12-10-8-6-2)42-38(40(49)39(48)36(33-46)51-42)44-41(50)35(43)32-34(3)4/h34-36,38-40,42,46,48-49H,5-33,43H2,1-4H3,(H,44,50)/t35-,36+,38+,39+,40+,42+/m0/s1
SMILES: CC(=CCC[C@H]([C@H]1[C@H](C[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=C3)C[C@H]([C@@H](C4(C)C)O)O)C)C=O)O)C(=O)O)C
InChI: InChI=1S/C30H44O6/c1-17(2)7-6-8-20(27(35)36)25-24(33)15-30(16-31)22-10-9-21-19(13-18(22)11-12-29(25,30)5)14-23(32)26(34)28(21,3)4/h7,11,13,16,20-26,32-34H,6,8-10,12,14-15H2,1-5H3,(H,35,36)/t20-,21-,22-,23-,24+,25+,26+,29-,30-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C3[C@H]1[C@]2(CC[C@@H](C3(C)C)OC(=O)C)C
InChI: InChI=1S/C17H24O3/c1-9-8-11(19)14-15-13(9)17(14,5)7-6-12(16(15,3)4)20-10(2)18/h8,12-15H,6-7H2,1-5H3/t12-,13-,14+,15?,17+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC
InChI: InChI=1S/C22H28N2O5/c1-15-5-4-6-18(16(15)2)24-21(25)14-29-22(26)10-8-17-7-9-19(28-12-11-23)20(13-17)27-3/h7-10,13,15-16,18H,4-6,12,14H2,1-3H3,(H,24,25)/b10-8+/t15-,16+,18-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@@]3([NH2+]1)C4=C(C=CC(=C4)F)NC3=O
InChI: InChI=1S/C17H18FN3O4/c1-8-12-13(15(23)21(14(12)22)5-6-25-2)17(20-8)10-7-9(18)3-4-11(10)19-16(17)24/h3-4,7-8,12-13,20H,5-6H2,1-2H3,(H,19,24)/p+1/t8-,12-,13+,17+/m1/s1
SMILES: CC(=O)N[C@@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]4([C@@]1(C[C@H](CC4)OC(=O)C)O)C)C)OC(=O)C
InChI: InChI=1S/C25H39NO6/c1-14(27)26-21-12-18-19-6-7-22(32-16(3)29)23(19,4)10-9-20(18)24(5)11-8-17(31-15(2)28)13-25(21,24)30/h17-22,30H,6-13H2,1-5H3,(H,26,27)/t17-,18-,19-,20-,21+,22-,23-,24+,25-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H25NO5/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-31-23(28)14-15-26-24(29)20-8-4-5-9-21(20)25(26)30/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2/t20-,21-/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O
InChI: InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27+,28-,29+,30-/m1/s1
SMILES: C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=[NH+]C5CCCCC5)C
InChI: InChI=1S/C25H41N/c1-24-16-7-6-8-18(24)11-12-20-21-13-14-23(25(21,2)17-15-22(20)24)26-19-9-4-3-5-10-19/h18-22H,3-17H2,1-2H3/p+1/t18-,20-,21-,22-,24-,25-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]([C@H]([C@H]1NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)OS(=O)(=O)C)C(=O)OC
InChI: InChI=1S/C33H41NO6SSi/c1-32(2,3)42(6,7)40-28-21-25(31(35)38-4)30(39-41(5,36)37)29(28)34-33(22-15-9-8-10-16-22)26-19-13-11-17-23(26)24-18-12-14-20-27(24)33/h8-20,25,28-30,34H,21H2,1-7H3/t25-,28-,29-,30+/m0/s1
SMILES: CCN(CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl)CC(=O)NC2=CC(=CC=C2)OC
InChI: InChI=1S/C17H24ClN3O5S/c1-3-21(8-16(22)19-12-5-4-6-13(7-12)26-2)9-17(23)20-15-11-27(24,25)10-14(15)18/h4-7,14-15H,3,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C=C5)O)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H32N2O6/c1-35-28(32(41)37(34(35)43)22-5-3-2-4-6-22)19-27-25(30(35)21-9-13-24(39)14-10-21)15-16-26-29(27)33(42)36(31(26)40)18-17-20-7-11-23(38)12-8-20/h2-15,26-30,38-39H,16-19H2,1H3/t26-,27+,28-,29-,30-,35+/m0/s1
SMILES: CCOC(CCCC[C@@H]([C@H](C)[C@@H]1CC[C@H]([C@H]2[C@@H]1C=C(CC2)C)C)O)OCC
InChI: InChI=1S/C24H44O3/c1-6-26-24(27-7-2)11-9-8-10-23(25)19(5)21-15-13-18(4)20-14-12-17(3)16-22(20)21/h16,18-25H,6-15H2,1-5H3/t18-,19-,20+,21+,22+,23+/m1/s1
SMILES: CCC/C=C\C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)C=O)(C)C
InChI: InChI=1S/C36H56O5/c1-9-10-11-12-30(40)41-29-21-31(2,3)19-24-23-13-14-26-33(6)17-16-27(38)32(4,5)25(33)15-18-34(26,7)35(23,8)20-28(39)36(24,29)22-37/h11-13,22,24-29,38-39H,9-10,14-21H2,1-8H3/b12-11-/t24-,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
SMILES: C[C@@H](C(=O)OCC1=NN=C(O1)C2=CC=CO2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C18H17N3O6/c1-10(21-16(22)11-5-2-3-6-12(11)17(21)23)18(24)26-9-14-19-20-15(27-14)13-7-4-8-25-13/h2-4,7-8,10-12H,5-6,9H2,1H3/t10-,11-,12+/m0/s1
SMILES: [3H]C1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)CO)O)N=C(N=C2OCC)N
InChI: InChI=1S/C12H17N5O4/c1-2-20-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(19)7(4-18)21-8/h5-8,18-19H,2-4H2,1H3,(H2,13,15,16)/t6-,7+,8+/m0/s1/i5T
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CO/N=C\C2=CC=C(C=C2)OC
InChI: InChI=1S/C19H26N2O5/c1-14-5-3-4-6-17(14)21-18(22)12-25-19(23)13-26-20-11-15-7-9-16(24-2)10-8-15/h7-11,14,17H,3-6,12-13H2,1-2H3,(H,21,22)/b20-11-/t14-,17-/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NN=C(S6)C
InChI: InChI=1S/C35H36N4O7S2/c1-21-29(20-47-35-38-37-22(2)48-35)45-33(46-31(21)26-12-10-24(18-40)11-13-26)27-14-8-23(9-15-27)17-39-30(41)16-28(32(39)42)36-34(43)44-19-25-6-4-3-5-7-25/h3-15,21,28-29,31,33,40H,16-20H2,1-2H3,(H,36,43)/t21-,28?,29+,31+,33+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl
InChI: InChI=1S/C15H18Cl3N3O3/c1-7-4-2-3-5-8(7)20-9(22)6-24-15(23)13-10(16)12(19)11(17)14(18)21-13/h7-8H,2-6H2,1H3,(H2,19,21)(H,20,22)/p+1/t7-,8-/m1/s1
SMILES: C[C@@H]1C[C@@H](C2=C([C@]1(C)CCC(C)O)CO[C@@H]2/C=C(\C)/CCCO)OCOC
InChI: InChI=1S/C22H38O5/c1-15(7-6-10-23)11-19-21-18(13-26-19)22(4,9-8-17(3)24)16(2)12-20(21)27-14-25-5/h11,16-17,19-20,23-24H,6-10,12-14H2,1-5H3/b15-11+/t16-,17?,19-,20+,22-/m1/s1
SMILES: B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@H]([C@@H](C)CCC=C)Cl
InChI: InChI=1S/C17H28BClO2/c1-6-7-8-11(2)15(19)18-20-14-10-12-9-13(16(12,3)4)17(14,5)21-18/h6,11-15H,1,7-10H2,2-5H3/t11-,12+,13+,14-,15-,17+/m0/s1
SMILES: C[C@@H](C(=O)N)OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C14H18N2O5/c1-8(12(15)18)21-11(17)6-7-16-13(19)9-4-2-3-5-10(9)14(16)20/h2-3,8-10H,4-7H2,1H3,(H2,15,18)/t8-,9-,10-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H](C)[C@H]2[C@@H](C(=O)OC2(C)C)C(=O)N3CCOCC3
InChI: InChI=1S/C21H27NO5/c1-13-5-7-15(8-6-13)18(23)14(2)17-16(20(25)27-21(17,3)4)19(24)22-9-11-26-12-10-22/h5-8,14,16-17H,9-12H2,1-4H3/t14-,16-,17+/m1/s1
SMILES: C1C[C@@H]2[C@@H](N[C@H]([C@H](C1)C2=NO)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H22N2O/c23-22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-19,21,23H,7,12-13H2/t16-,17+,18-,19-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC3C(CNC3CO)O)CO)O)O)O
InChI: InChI=1S/C17H31NO12/c1-5-9(22)10(23)12(25)16(27-5)30-15-8(4-20)28-17(13(26)11(15)24)29-14-6(3-19)18-2-7(14)21/h5-26H,2-4H2,1H3/t5-,6?,7?,8-,9-,10+,11-,12-,13-,14?,15?,16+,17-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(S2)NC3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C20H28N4OS2/c1-13(2)15-8-10-16(11-9-15)21-19-23-24-20(27-19)26-12-18(25)22-17-7-5-4-6-14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,21,23)(H,22,25)/t14-,17+/m0/s1
SMILES: C[C@@H]1C[C@]([C@@H](C[NH+]1CCC(C)C)C)(C2=CC=CC=C2)O
InChI: InChI=1S/C18H29NO/c1-14(2)10-11-19-13-15(3)18(20,12-16(19)4)17-8-6-5-7-9-17/h5-9,14-16,20H,10-13H2,1-4H3/p+1/t15-,16-,18+/m1/s1
SMILES: CC1=C(N=CS1)CNC(=O)[C@@H]2C(SCN2C(=O)[C@H](C[C@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](COC5=CC=CC=C45)O)O)(C)C
InChI: InChI=1S/C32H38N4O6S2/c1-19-23(34-17-43-19)15-33-30(40)28-32(2,3)44-18-36(28)31(41)24(37)14-21(13-20-9-5-4-6-10-20)29(39)35-27-22-11-7-8-12-26(22)42-16-25(27)38/h4-12,17,21,24-25,27-28,37-38H,13-16,18H2,1-3H3,(H,33,40)(H,35,39)/t21-,24-,25+,27-,28+/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C43H48N4O7/c1-30-38(27-46-22-20-45(21-23-46)25-31-8-4-2-5-9-31)53-42(54-40(30)35-16-14-33(28-48)15-17-35)36-18-12-32(13-19-36)26-47-39(49)24-37(41(47)50)44-43(51)52-29-34-10-6-3-7-11-34/h2-19,30,37-38,40,42,48H,20-29H2,1H3,(H,44,51)/t30-,37?,38+,40+,42+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]23[C@@H](O3)C#N)CO)C
InChI: InChI=1S/C10H13NO5/c1-9(2)15-7-8(16-9)13-6(4-12)10(7)5(3-11)14-10/h5-8,12H,4H2,1-2H3/t5-,6+,7-,8+,10-/m0/s1
SMILES: C[C@@H]1CC[C@H](C[C@@H]1C)OC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C18H23Cl2NO3/c1-11-3-5-14(9-12(11)2)24-18(23)8-7-17(22)21-13-4-6-15(19)16(20)10-13/h4,6,10-12,14H,3,5,7-9H2,1-2H3,(H,21,22)/t11-,12+,14-/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=CC=C(C=C4)Br
InChI: InChI=1S/C22H21BrN2O3/c1-13-2-11-18-19(12-13)22(28)25(21(18)27)17-9-3-14(4-10-17)20(26)24-16-7-5-15(23)6-8-16/h3-10,13,18-19H,2,11-12H2,1H3,(H,24,26)/t13-,18+,19-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)C3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C28H28O6/c1-18-4-8-21(9-5-18)27(29)32-17-26-25(34-28(30)22-10-6-19(2)7-11-22)16-24(33-26)20-12-14-23(31-3)15-13-20/h4-15,24-26H,16-17H2,1-3H3/t24-,25-,26+/m0/s1
SMILES: COC1=CC=C(C=C1)N[C@H]2[C@@H](CO[C]3[C]2[CH][CH][CH][CH]3)NC(=O)C4=CC=CC=C4CO.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C24H24N2O4.3CO.Cr/c1-29-18-12-10-17(11-13-18)25-23-20-8-4-5-9-22(20)30-15-21(23)26-24(28)19-7-3-2-6-16(19)14-27;3*1-2;/h2-13,21,23,25,27H,14-15H2,1H3,(H,26,28);;;;/t21-,23-;;;;/m1..../s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@]([C@@]2(CCCCCCCCC=C)O)(CC=C)O
InChI: InChI=1S/C23H40O2/c1-6-8-9-10-11-12-13-14-17-23(25)21(5)18-15-19(20(21,3)4)22(23,24)16-7-2/h6-7,19,24-25H,1-2,8-18H2,3-5H3/t19-,21+,22+,23-/m0/s1
SMILES: C[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@H]3CCC[C@]34CCC[C@H]5N4CC(C(=O)C5)C(=O)OC(C)(C)C
InChI: InChI=1S/C37H53NO4Si/c1-27(26-41-43(36(5,6)7,29-17-10-8-11-18-29)30-19-12-9-13-20-30)32-21-15-23-37(32)22-14-16-28-24-33(39)31(25-38(28)37)34(40)42-35(2,3)4/h8-13,17-20,27-28,31-32H,14-16,21-26H2,1-7H3/t27-,28+,31?,32+,37+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@H]1CC[C@@H](C2)O)[C@@H](C)C(=O)OC
InChI: InChI=1S/C15H26O3/c1-9-4-6-13(10(2)15(17)18-3)14-8-11(16)5-7-12(9)14/h9-14,16H,4-8H2,1-3H3/t9-,10-,11+,12+,13+,14+/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(CCC(=O)N4)C)CC5=C6[C@](CCC(=O)N6)([C@H]7CC[C@]8([C@H]([C@@H]7C5)CC[C@@H]8[C@H](C)CCCC(C)C)C)C)C
InChI: InChI=1S/C53H86N2O2/c1-32(2)13-11-15-34(5)40-17-19-42-38-30-36(48-52(9,27-23-46(56)54-48)44(38)21-25-50(40,42)7)29-37-31-39-43-20-18-41(35(6)16-12-14-33(3)4)51(43,8)26-22-45(39)53(10)28-24-47(57)55-49(37)53/h32-35,38-45H,11-31H2,1-10H3,(H,54,56)(H,55,57)/t34-,35-,38+,39+,40-,41-,42+,43+,44+,45+,50-,51-,52-,53-/m1/s1
SMILES: CC(C)C(=O)N(CCC1=CC(=CC=C1)OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C28H34N2O6/c1-17(2)28(34)30(13-11-18-7-6-8-19(15-18)35-3)22-16-21(27(33)29-12-14-31)24-20-9-4-5-10-23(20)36-26(24)25(22)32/h4-10,15-17,22,24-26,31-32H,11-14H2,1-3H3,(H,29,33)/t22-,24+,25+,26+/m1/s1
SMILES: B1(O[C@H]2C[C@H]3[C@@H]([C@H]2O1)OB(O3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C17H16B2O4/c1-3-7-12(8-4-1)18-20-14-11-15-17(16(14)22-18)23-19(21-15)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-,16-,17-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)C5(OCCO5)C)C)C
InChI: InChI=1S/C25H40O4/c1-16(26)29-22-8-7-20-19-6-5-17-15-18(25(4)27-13-14-28-25)9-11-23(17,2)21(19)10-12-24(20,22)3/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O6/c1-12(18(24)21-13-7-9-14(27-2)10-8-13)28-17(23)11-22-19(25)15-5-3-4-6-16(15)20(22)26/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3,(H,21,24)/t12-,15+,16+/m1/s1
SMILES: CCC1=C2/C=C\3/C(=C4C(=O)[C@@H](C(=C4[N-]3)C5[C@H]([C@@H](/C(=C/C6=C(C(=C([N-]6)/C=C(/[C@@H]1C)\[N-]2)C(=O)C)C)/[N-]5)C)CCC(=O)OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)OC)C.[Mg+2]
InChI: InChI=1S/C55H77N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h27-35,40,51-52H,13-26H2,1-12H3,(H-,56,57,60);/q-3;+2/p-1/b42-27-,44-28-;/t31-,32-,33?,34-,35+,40+,51-,52?;/m1./s1
SMILES: CC1(N([C@@H]([C@@H](O1)C(=O)O)CC2=CC=CC=C2)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C18H25NO5/c1-17(2,3)24-16(22)19-13(11-12-9-7-6-8-10-12)14(15(20)21)23-18(19,4)5/h6-10,13-14H,11H2,1-5H3,(H,20,21)/t13-,14-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H78N2O11/c1-4-7-8-9-10-11-12-13-14-19-32-62-52(60)55(27-33-61-34-30-58)49-38-47(54-64-6-3)45-36-41(22-15-17-28-56)44(24-16-18-29-57)50-46-37-43(65-42-23-20-21-40(35-42)39-59)25-26-48(46)66-53(49,51(45)50)63-31-5-2/h5,20-21,23,25-26,35-37,39,41,44,49-51,56-58H,2,4,6-19,22,24,27-34,38H2,1,3H3/t41-,44+,49-,50+,51+,53+/m0/s1
SMILES: C[C@H]1[C@@H]2CC(C[C@]1(OC3=C2C(=O)OC4=CC=CC=C43)O)C(=C)C
InChI: InChI=1S/C19H20O4/c1-10(2)12-8-14-11(3)19(21,9-12)23-17-13-6-4-5-7-15(13)22-18(20)16(14)17/h4-7,11-12,14,21H,1,8-9H2,2-3H3/t11-,12?,14-,19+/m0/s1
SMILES: CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=C(C=C3)OC)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C24H25N3O4/c1-13(2)20-18-19(24(26-20)16-6-4-5-7-17(16)25-23(24)30)22(29)27(21(18)28)12-14-8-10-15(31-3)11-9-14/h4-11,13,18-20,26H,12H2,1-3H3,(H,25,30)/p+1/t18-,19-,20-,24-/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C27H27N3O3/c1-26(2,3)25(31)24-23(18-10-12-20(32-4)21(14-18)33-5)27(15-28,16-29)22-13-11-17-8-6-7-9-19(17)30(22)24/h6-14,22-24H,1-5H3/t22-,23+,24-/m1/s1
SMILES: C[C@@H](C(=O)C1=CC=C(C=C1)F)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H18FNO5/c1-11(17(23)12-6-8-13(20)9-7-12)26-16(22)10-21-18(24)14-4-2-3-5-15(14)19(21)25/h2-3,6-9,11,14-15H,4-5,10H2,1H3/t11-,14-,15-/m0/s1
SMILES: CCCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=CC=C2OCC
InChI: InChI=1S/C19H26N2O4/c1-4-6-9-12-25-18(22)16-13(3)20-19(23)21-17(16)14-10-7-8-11-15(14)24-5-2/h7-8,10-11,16-17H,3-6,9,12H2,1-2H3,(H2,20,21,23)/t16-,17+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@](C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCC(=O)NC(CC(=O)O)C(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C56H62N2O20/c1-29-36(75-52(71)45(76-41(65)24-16-23-39(62)57-35(50(68)69)25-40(63)64)43(32-17-10-7-11-18-32)58-49(67)33-19-12-8-13-20-33)27-56(72)48(77-51(70)34-21-14-9-15-22-34)46-54(6,37(61)26-38-55(46,28-73-38)78-31(3)60)47(66)44(74-30(2)59)42(29)53(56,4)5/h7-15,17-22,35-38,43-46,48,61,72H,16,23-28H2,1-6H3,(H,57,62)(H,58,67)(H,63,64)(H,68,69)/t35?,36?,37-,38+,43?,44+,45?,46?,48?,54+,55-,56+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C3C(=NC=NC3=N2)N)CO)N=[N+]=[N-]
InChI: InChI=1S/C10H12N8O2/c11-9-5-2-18(16-10(5)14-4-13-9)8-1-6(15-17-12)7(3-19)20-8/h2,4,6-8,19H,1,3H2,(H2,11,13,14,16)/t6-,7+,8-/m0/s1
SMILES: COC1=CC(=CC(=C1O)[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(=CC(=C6)C(F)(F)F)C(F)(F)F)Br
InChI: InChI=1S/C30H20Br2Cl2F6N2O6/c1-48-19-8-13(32)7-17(22(19)43)21-15-2-3-16-20(18(15)9-27(33)25(46)41(10-31)26(47)28(21,27)34)24(45)42(23(16)44)14-5-11(29(35,36)37)4-12(6-14)30(38,39)40/h2,4-8,16,18,20-21,43H,3,9-10H2,1H3/t16-,18+,20-,21+,27+,28-/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3(C(C1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl
InChI: InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3/t13?,14?,16-,17-,19+,21-,22-,23-,24+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H26N2O5/c1-24-15-8-14(9-16(25-2)18(15)26-3)19(23)21-20-17(22)10-13-7-11-4-5-12(13)6-11/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,22)(H,21,23)/t11-,12+,13+/m0/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)OC4CCS(=O)(=O)C4)(C)C=C)O
InChI: InChI=1S/C26H39NO8S/c1-6-24(4)13-19(35-23(31)27-22(30)34-17-9-12-36(32,33)14-17)25(5)15(2)7-10-26(16(3)21(24)29)11-8-18(28)20(25)26/h6,15-17,19-21,29H,1,7-14H2,2-5H3,(H,27,30,31)/t15?,16-,17?,19+,20-,21-,24+,25+,26-/m0/s1
SMILES: CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2C/C(=N/O)/C4=CC(=O)[C@H](C[C@]34C)O)C
InChI: InChI=1S/C27H43NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,25,30-31H,6-13,15H2,1-5H3/b28-23-/t17?,18?,19-,20?,21?,25+,26-,27-/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@]2(C1=O)C)C5=CC=CC=C5)C6=CC(=C(C(=C6Br)Br)O)OC)C)C
InChI: InChI=1S/C31H29Br2N3O6/c1-15-16(2)27(39)31(4)22(19-13-21(42-5)25(37)24(33)23(19)32)18-11-12-34-28(40)35(17-9-7-6-8-10-17)29(41)36(34)20(18)14-30(31,3)26(15)38/h6-11,13,20,22,37H,12,14H2,1-5H3/t20-,22-,30+,31-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)CBr
InChI: InChI=1S/C23H31BrO4/c1-14(25)23(28-20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19H,4-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1
SMILES: CC1=CC(=CC=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@@]([NH2+]2)(C)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-12-5-4-6-13(11-12)18-16-17(22(2,24-18)21(28)29-3)20(27)25(19(16)26)15-9-7-14(23)8-10-15/h4-11,16-18,24H,1-3H3/p+1/t16-,17+,18-,22+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@]3(C2=O)C[C@@H]3OCC=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C26H27NO6S/c1-4-15-32-19-16-26(19)23(29)27-21(25(2,3)34(30,31)24(26)27)22(28)33-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,19-21,24H,1,15-16H2,2-3H3/t19-,21-,24+,26-/m0/s1
SMILES: C1O[C@H]2[C@@H]3[C@@H]([C@@H]([C@H]([C@H]2O1)O3)C(=O)O)C(=O)O
InChI: InChI=1S/C9H10O7/c10-8(11)2-3(9(12)13)5-7-6(4(2)16-5)14-1-15-7/h2-7H,1H2,(H,10,11)(H,12,13)/t2-,3+,4+,5-,6+,7-
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=CC=CC=C3)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O
InChI: InChI=1S/C18H17N7O8S3/c26-14(11(21-30)9-4-2-1-3-5-9)19-12-15(27)25-13(17(28)29)10(6-34-16(12)25)7-35-18-20-22-23-24(18)8-36(31,32)33/h1-5,12,16,30H,6-8H2,(H,19,26)(H,28,29)(H,31,32,33)/b21-11+/t12-,16-/m1/s1
SMILES: C1[C@@H]2[C@H](C(=C[C@H](O2)OC3=CC=CC=C3)[N+](=O)[O-])OC(O1)C4=CC=CC=C4
InChI: InChI=1S/C19H17NO6/c21-20(22)15-11-17(24-14-9-5-2-6-10-14)25-16-12-23-19(26-18(15)16)13-7-3-1-4-8-13/h1-11,16-19H,12H2/t16-,17+,18+,19?/m1/s1
SMILES: CC1C(=O)C(=C(O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H26O12/c1-8-15(25)16(9(2)27-8)32-20-19(30-13(6)24)18(29-12(5)23)17(28-11(4)22)14(31-20)7-26-10(3)21/h8,14,17-20H,7H2,1-6H3/t8?,14-,17-,18+,19-,20+/m1/s1