EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@H](OC(=C1S(=O)(=O)C2=CC=CC=C2)C)CS(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H20O5S2/c1-14-18(13-25(20,21)16-9-5-3-6-10-16)24-15(2)19(14)26(22,23)17-11-7-4-8-12-17/h3-12,14,18H,13H2,1-2H3/t14-,18-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OC(=O)CCC(=O)O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C
InChI: InChI=1S/C27H38O8/c1-26-13-11-17(34-24(32)9-7-22(28)29)15-16(26)3-4-18-19-5-6-21(27(19,2)14-12-20(18)26)35-25(33)10-8-23(30)31/h3,17-21H,4-15H2,1-2H3,(H,28,29)(H,30,31)/t17-,18?,19?,20?,21-,26-,27-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C=O
InChI: InChI=1S/C35H36O6/c36-21-31-32(26-37-22-27-13-5-1-6-14-27)41-35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)33(31)38-23-28-15-7-2-8-16-28/h1-21,31-35H,22-26H2/t31-,32-,33+,34-,35+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C17H20BrNO3/c18-14-3-5-15(6-4-14)19-16(20)10-22-17(21)9-13-8-11-1-2-12(13)7-11/h3-6,11-13H,1-2,7-10H2,(H,19,20)/t11-,12+,13+/m0/s1
SMILES: COC(=C)C(=O)C[C@@H]1[C@H](C(=O)OC2=CC=CC=C12)[N+](=O)[O-]
InChI: InChI=1S/C14H13NO6/c1-8(20-2)11(16)7-10-9-5-3-4-6-12(9)21-14(17)13(10)15(18)19/h3-6,10,13H,1,7H2,2H3/t10-,13+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N=CC3=CC=C(S3)C=N[C@@H]4CCCC[C@H]4N=CC5=CC=C(S5)C=N2
InChI: InChI=1S/C24H28N4S2/c1-2-6-22-21(5-1)25-13-17-9-10-19(29-17)15-27-23-7-3-4-8-24(23)28-16-20-12-11-18(30-20)14-26-22/h9-16,21-24H,1-8H2/t21-,22-,23-,24-/m1/s1
SMILES: COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)[C@H]3CCNC[C@@H]3OCC4=CC5=C(CCCN5CCCN)C=C4
InChI: InChI=1S/C35H47N3O4/c1-39-34-9-3-2-7-30(34)26-40-21-6-22-41-31-14-12-28(13-15-31)32-16-18-37-24-35(32)42-25-27-10-11-29-8-4-19-38(20-5-17-36)33(29)23-27/h2-3,7,9-15,23,32,35,37H,4-6,8,16-22,24-26,36H2,1H3/t32-,35+/m1/s1
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCC[C@H]3[C@@H]2CCCC3)OC
InChI: InChI=1S/C20H31N3O4S/c1-22(2)28(25,26)19-13-16(10-11-18(19)27-3)21-20(24)14-23-12-6-8-15-7-4-5-9-17(15)23/h10-11,13,15,17H,4-9,12,14H2,1-3H3,(H,21,24)/p+1/t15-,17-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@]1(CN2C=NC=N2)O)OC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H19Cl2N3O2/c1-11-3-2-4-15(16(11,22)8-21-10-19-9-20-21)23-14-6-5-12(17)7-13(14)18/h5-7,9-11,15,22H,2-4,8H2,1H3/t11-,15-,16-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H22ClN3O2/c1-12-4-2-3-5-15(12)20-16(23)10-11-17-21-18(22-24-17)13-6-8-14(19)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,23)/t12-,15+/m0/s1
SMILES: CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)C(C)(C)O)(CCCC3(C)C)C
InChI: InChI=1S/C23H36O2/c1-14(2)19-15-9-10-18-21(3,4)11-8-12-23(18,7)16(15)13-17(20(19)24)22(5,6)25/h13-14,18,24-25H,8-12H2,1-7H3/t18-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)CCC(=O)O
InChI: InChI=1S/C21H24N4O6/c1-29-13-4-2-12(3-5-13)14-8-9-22-21(24-14)25-16-11-31-19-15(10-30-20(16)19)23-17(26)6-7-18(27)28/h2-5,8-9,15-16,19-20H,6-7,10-11H2,1H3,(H,23,26)(H,27,28)(H,22,24,25)/t15-,16-,19+,20+/m0/s1
SMILES: COC1=CC=CC=C1CN2C(=O)[C@H]3[C@@H](N[C@@]4([C@H]3C2=O)C5=CC=CC=C5NC4=O)CC(=O)N
InChI: InChI=1S/C23H22N4O5/c1-32-16-9-5-2-6-12(16)11-27-20(29)18-15(10-17(24)28)26-23(19(18)21(27)30)13-7-3-4-8-14(13)25-22(23)31/h2-9,15,18-19,26H,10-11H2,1H3,(H2,24,28)(H,25,31)/t15-,18-,19+,23+/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O)C
InChI: InChI=1S/C20H26N2O6S/c1-13-11-17(18(20(24)25)12-14(13)2)19(23)21-15-3-5-16(6-4-15)29(26,27)22-7-9-28-10-8-22/h3-6,17-18H,7-12H2,1-2H3,(H,21,23)(H,24,25)/t17-,18-/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)OC(=O)C)COC(=O)C)C)O)C
InChI: InChI=1S/C38H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-32(41)45-35-25(3)37(43)30-20-24(2)33(42)29(30)21-28(23-44-26(4)39)22-31(37)34-36(6,7)38(34,35)46-27(5)40/h20,22,25,29-31,34-35,43H,8-19,21,23H2,1-7H3/t25-,29-,30-,31+,34-,35-,37+,38-/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=CC=C(O5)CO)C(=O)N(C4=O)C6=CC=C(C=C6)I)Cl
InChI: InChI=1S/C26H21Cl2IN2O6/c1-30-23(35)25(27)10-17-15(20(26(25,28)24(30)36)18-9-6-14(11-32)37-18)7-8-16-19(17)22(34)31(21(16)33)13-4-2-12(29)3-5-13/h2-7,9,16-17,19-20,32H,8,10-11H2,1H3/t16-,17+,19-,20+,25+,26-/m0/s1
SMILES: CCCCNC(=S)NCC[C@H]1[C@@H](C1(C)C)C2=C(NC3=CC=CC=C32)C
InChI: InChI=1S/C21H31N3S/c1-5-6-12-22-20(25)23-13-11-16-19(21(16,3)4)18-14(2)24-17-10-8-7-9-15(17)18/h7-10,16,19,24H,5-6,11-13H2,1-4H3,(H2,22,23,25)/t16-,19+/m0/s1
SMILES: CCCCCCNC(=O)OCC(C)(C)/[N+](=C/C1=CC=C(C=C1)CNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)/[O-]
InChI: InChI=1S/C31H51N3O14/c1-4-5-6-7-12-32-30(44)46-17-31(2,3)34(45)14-19-10-8-18(9-11-19)13-33-28(43)25(41)24(40)27(20(37)15-35)48-29-26(42)23(39)22(38)21(16-36)47-29/h8-11,14,20-27,29,35-42H,4-7,12-13,15-17H2,1-3H3,(H,32,44)(H,33,43)/b34-14-/t20-,21-,22+,23+,24-,25-,26-,27-,29+/m1/s1
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C[C@H]3[C@@H]4CN(C5=CC=CC=C5C4=NO3)C(=O)C(F)(F)F
InChI: InChI=1S/C26H27F3N4O2/c27-26(28,29)25(34)33-17-21-23(35-30-24(21)20-10-4-5-11-22(20)33)18-32-15-13-31(14-16-32)12-6-9-19-7-2-1-3-8-19/h1-11,21,23H,12-18H2/b9-6+/t21-,23-/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)NC(=O)C)CN(C)CC4=CC=CC=C4
InChI: InChI=1S/C29H34N2O4/c1-20-27(18-31(3)17-22-7-5-4-6-8-22)34-29(25-13-15-26(16-14-25)30-21(2)33)35-28(20)24-11-9-23(19-32)10-12-24/h4-16,20,27-29,32H,17-19H2,1-3H3,(H,30,33)/t20-,27+,28+,29+/m0/s1
SMILES: C[C@@]12CCC[C@@H]([C@@]13C(=O)[C@@H](C(C([C@@H](C2)O3)C#N)(C)C)CC[N+](=O)[O-])CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H42N2O5Si/c1-22(2,3)33(7,8)31-16-17-10-9-12-24(6)14-20-19(15-26)23(4,5)18(11-13-27(29)30)21(28)25(17,24)32-20/h17-20H,9-14,16H2,1-8H3/t17-,18+,19?,20-,24+,25-/m1/s1
SMILES: CCN(CC)CCN1C[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C1=O)C(=O)O
InChI: InChI=1S/C15H22N2O4/c1-3-16(4-2)7-8-17-9-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,19,20)/t10-,11+,12-,15-/m1/s1
SMILES: CC(C1=CC=CC=C1)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)C5=CC=CC=C5
InChI: InChI=1S/C30H36N2/c1-24(25-11-5-2-6-12-25)32-22-29(30(23-32)28-15-9-4-10-16-28)21-31-19-17-27(18-20-31)26-13-7-3-8-14-26/h2-16,24,27,29-30H,17-23H2,1H3/t24?,29-,30+/m0/s1
SMILES: C[C@H]1[C@@H](C([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17?,18+,21-/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H](/C(=C/Cl)/[C@H](O2)O)O
InChI: InChI=1S/C9H9ClN2O5/c10-3-4-6(14)7(17-8(4)15)12-2-1-5(13)11-9(12)16/h1-3,6-8,14-15H,(H,11,13,16)/b4-3-/t6-,7-,8+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@@H](C([C@]34[C@@]2([C@@H]([C@@H]([C@H]([C@H]3O)C(O4)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)OC(=O)C)OC(=O)C)O)O)O
InChI: InChI=1S/C31H46O17/c1-11-18(37)19(38)20(39)27(41-11)46-26-22(43-13(3)33)24(44-14(4)34)28(7,8)31-23(40)17(29(9,10)48-31)21(42-12(2)32)25(45-15(5)35)30(26,31)47-16(6)36/h11,17-27,37-40H,1-10H3/t11-,17-,18+,19+,20-,21-,22+,23-,24+,25-,26+,27-,30+,31+/m1/s1
SMILES: C1C2[C@H](C3[C@H]4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11?,31-,34-,35-,36?/m1/s1
SMILES: CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
SMILES: C[C@H]1[C@@H](CC[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N=[N+]=[N-])O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)O
InChI: InChI=1S/C33H37N3O12/c1-13-19(38)8-9-22(45-13)48-32-14(2)46-23(10-18(32)35-36-34)47-21-12-33(43,15(3)37)11-17-25(21)31(42)27-26(29(17)40)28(39)16-6-5-7-20(44-4)24(16)30(27)41/h5-7,13-14,18-19,21-23,32,38,40,42-43H,8-12H2,1-4H3/t13-,14-,18-,19+,21-,22-,23-,32+,33-/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)NC(=O)OCC=C)CN(C)[C@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C33H40N2O6/c1-5-19-39-33(38)34-28-17-15-27(16-18-28)32-40-29(20-35(4)23(3)30(37)25-9-7-6-8-10-25)22(2)31(41-32)26-13-11-24(21-36)12-14-26/h5-18,22-23,29-32,36-37H,1,19-21H2,2-4H3,(H,34,38)/t22-,23-,29+,30-,31+,32+/m1/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5)O)C
InChI: InChI=1S/C26H36N2O3/c1-18-7-6-10-20-15-22-23(24(29)26(18,20)2)21(25(30)31-22)17-28-13-11-27(12-14-28)16-19-8-4-3-5-9-19/h3-5,8-10,18,21-24,29H,6-7,11-17H2,1-2H3/p+2/t18-,21+,22+,23+,24+,26+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3(C4=C(C=C(C=C4)OC)SC5=CC=CC=C53)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C31H30N2O7S/c1-18-16-33(30(36)32-29(18)35)28-15-24(34)25(40-28)17-39-31(19-8-10-20(37-2)11-9-19)22-6-4-5-7-26(22)41-27-14-21(38-3)12-13-23(27)31/h4-14,16,24-25,28,34H,15,17H2,1-3H3,(H,32,35,36)/t24-,25+,28+,31?/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@]2(CC2(F)F)O[C@H]1N3C=NC4=C(N=CN=C43)N)O
InChI: InChI=1S/C17H25F2N5O3Si/c1-15(2,3)28(4,5)27-10-11(25)16(6-17(16,18)19)26-14(10)24-8-23-9-12(20)21-7-22-13(9)24/h7-8,10-11,14,25H,6H2,1-5H3,(H2,20,21,22)/t10-,11+,14-,16+/m1/s1
SMILES: CC1=CC(=C(C(=C1)Cl)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C18H19ClN2O3/c1-10-7-11(2)16(14(19)8-10)20-15(22)9-21-17(23)12-5-3-4-6-13(12)18(21)24/h3-4,7-8,12-13H,5-6,9H2,1-2H3,(H,20,22)/t12-,13-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)OC(=O)CCC#CC#CC4=CC=CC=C4
InChI: InChI=1S/C27H26O7/c1-30-27-25(33-22(28)17-11-3-2-6-12-19-13-7-4-8-14-19)23(29)24-21(32-27)18-31-26(34-24)20-15-9-5-10-16-20/h4-5,7-10,13-16,21,23-27,29H,11,17-18H2,1H3/t21-,23+,24-,25-,26-,27+/m1/s1
SMILES: C/C=C\O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)CS(=O)(=O)N(C(C)C)C(C)C
InChI: InChI=1S/C19H35NO3S/c1-8-11-23-17-12-16-9-10-19(17,18(16,6)7)13-24(21,22)20(14(2)3)15(4)5/h8,11,14-17H,9-10,12-13H2,1-7H3/b11-8-/t16-,17-,19-/m1/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)/C=C/C=O
InChI: InChI=1S/C33H31BO5/c1-36-32(26-16-7-3-8-17-26,27-18-9-4-10-19-27)30-31(39-34(38-30)24-15-25-35)33(37-2,28-20-11-5-12-21-28)29-22-13-6-14-23-29/h3-25,30-31H,1-2H3/b24-15+/t30-,31-/m1/s1
SMILES: CC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)N4CCOCC4)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C21H32N2O4S/c1-13-22-19-14(10-18(26)23-6-8-27-9-7-23)20(2)5-4-17(25)21(3,12-24)16(20)11-15(19)28-13/h14,16-17,24-25H,4-12H2,1-3H3/t14-,16+,17-,20+,21+/m1/s1
SMILES: C=CCOC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)C8CC8)OCC=C
InChI: InChI=1S/C52H59N3O9/c1-3-28-61-41-24-25-47-45(31-41)49-43(17-8-10-27-57)38(13-7-9-26-56)30-44-46(53-63-34-35-18-22-40(23-19-35)55(59)60)32-48(52(64-47,50(44)49)62-29-4-2)54(51(58)37-20-21-37)33-39-15-11-14-36-12-5-6-16-42(36)39/h3-6,11-12,14-16,18-19,22-25,30-31,37-38,43,48-50,56-57H,1-2,7-10,13,17,20-21,26-29,32-34H2/t38-,43+,48-,49+,50+,52+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(O2)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C20H27N3O4S/c1-12-6-5-7-16(13(12)2)21-18(24)11-28-20-23-22-19(27-20)15-9-8-14(25-3)10-17(15)26-4/h8-10,12-13,16H,5-7,11H2,1-4H3,(H,21,24)/t12-,13+,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@@H]([C@@H]2OC(=O)C5=CC=CC=C5)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H40O16/c1-18(36)42-16-24-26(44-19(2)37)28(45-20(3)38)31(46-21(4)39)35(48-24)51-29-27-25(17-43-33(50-27)23-14-10-7-11-15-23)47-34(41-5)30(29)49-32(40)22-12-8-6-9-13-22/h6-15,24-31,33-35H,16-17H2,1-5H3/t24-,25-,26-,27-,28+,29+,30-,31-,33?,34+,35+/m1/s1
SMILES: CC1=CC([C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C5=C(C=C6C(=C5OC)C(=O)C=C(O6)C7=CC=C(C=C7)OC)OC
InChI: InChI=1S/C39H33NO8/c1-22-17-28(34-29(18-22)38(42)40(39(34)43)24-9-8-12-27(19-24)47-26-10-6-5-7-11-26)35-32(45-3)21-33-36(37(35)46-4)30(41)20-31(48-33)23-13-15-25(44-2)16-14-23/h5-17,19-21,28-29,34H,18H2,1-4H3/t28?,29-,34+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](C#N)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H19NO5/c1-16(2)21-14-13(19-9-10-6-4-3-5-7-10)12(11(18)8-17)20-15(14)22-16/h3-7,11-15,18H,9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)O)N
InChI: InChI=1S/C17H33N3O11/c18-4-1-5(19)14(30-16-8(20)12(26)10(24)6(2-21)28-16)15(9(4)23)31-17-13(27)11(25)7(3-22)29-17/h4-17,21-27H,1-3,18-20H2/t4-,5+,6-,7-,8-,9+,10-,11+,12-,13-,14-,15-,16-,17+/m1/s1
SMILES: CC1=C(C(=NN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C21H30N2O6/c1-11-14(9-12-5-7-13(8-6-12)21(2,3)4)19(23-22-11)29-20-18(27)17(26)16(25)15(10-24)28-20/h5-8,15-18,20,24-27H,9-10H2,1-4H3,(H,22,23)/t15-,16-,17+,18-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CSC(=O)CC/C=C/C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C49H59NO10S/c1-49(2,3)60-48(53)50-40(47(52)54-4)35-61-43(51)29-19-9-18-28-41-44(56-31-37-22-12-6-13-23-37)46(58-33-39-26-16-8-17-27-39)45(57-32-38-24-14-7-15-25-38)42(59-41)34-55-30-36-20-10-5-11-21-36/h5-18,20-27,40-42,44-46H,19,28-35H2,1-4H3,(H,50,53)/b18-9+/t40-,41+,42+,44-,45+,46+/m0/s1
SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)Cl
InChI: InChI=1S/C19H25ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C/C(=C\CC/C(=C/[C@H]2O)/C)/C=O)OC1=O
InChI: InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h5-6,8,10,12-14,17H,3-4,7H2,1-2H3/b9-6+,11-5+/t10-,12+,13+,14-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C48H44N2O5/c1-33-44(31-49(28-34-12-4-2-5-13-34)29-35-14-6-3-7-15-35)54-48(55-45(33)38-24-22-36(32-51)23-25-38)41-19-11-18-40(27-41)39-17-10-16-37(26-39)30-50-46(52)42-20-8-9-21-43(42)47(50)53/h2-27,33,44-45,48,51H,28-32H2,1H3/t33-,44+,45+,48+/m1/s1
SMILES: CCO/N=C(/CCC[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)\C(C)(C)C
InChI: InChI=1S/C31H49NO3/c1-8-35-32-29(30(4,5)6)13-9-11-21(2)26-16-17-27-23(12-10-18-31(26,27)7)14-15-24-19-25(33)20-28(34)22(24)3/h14-16,21,25,27-28,33-34H,3,8-13,17-20H2,1-2,4-7H3/b23-14+,24-15-,32-29-/t21-,25-,27+,28+,31-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)[C@]3(CC2)C)C)(C)CO
InChI: InChI=1S/C30H48O2/c1-25(2)22-9-8-21-20(28(22,5)12-11-24(25)32)10-13-30(7)23-18-26(3,19-31)14-15-27(23,4)16-17-29(21,30)6/h8,10,22-24,31-32H,9,11-19H2,1-7H3/t22-,23+,24+,26+,27+,28+,29+,30-/m0/s1
SMILES: [3H]C1=CC(=C(C(=C1N)Br)OC)C(=O)N[C@H]2CCN3CCC[C@@H]2C3
InChI: InChI=1S/C16H22BrN3O2/c1-22-15-11(4-5-12(18)14(15)17)16(21)19-13-6-8-20-7-2-3-10(13)9-20/h4-5,10,13H,2-3,6-9,18H2,1H3,(H,19,21)/t10-,13+/m1/s1/i5T
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=S)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C31H32N2O7S/c1-36-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(37-2)16-12-22)39-19-25-27(35)28(38-3)29(40-25)33-18-17-26(34)32-30(33)41/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,41)/t25-,27-,28-,29-/m1/s1
SMILES: CCCN(C[C@H](COCC1=CC=CC=C1)O)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CC=C7)C)O
InChI: InChI=1S/C42H55NO5/c1-4-23-43(26-33(45)28-48-27-30-11-7-5-8-12-30)29-41(47)20-17-36-39(41,3)19-16-35-38(2)18-15-32(44)24-40(38)21-22-42(35,36)34(25-40)37(46)31-13-9-6-10-14-31/h5-14,21-22,25,32-33,35-36,44-45,47H,4,15-20,23-24,26-29H2,1-3H3/t32?,33-,35-,36-,38-,39+,40+,41-,42-/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)Cl)CCC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C30H34ClNO5/c1-19-24-10-12-26(36-18-21-6-8-23(31)9-7-21)20(2)28(24)37-29(34)25(19)11-13-27(33)32-16-15-30(35)14-4-3-5-22(30)17-32/h6-10,12,22,35H,3-5,11,13-18H2,1-2H3/t22-,30+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)CC6=CC=CS6
InChI: InChI=1S/C28H25BrCl2N2O6S/c29-14-33-25(37)27(30)12-19-16(7-8-18-21(19)24(36)32(23(18)35)13-15-4-3-11-40-15)22(28(27,31)26(33)38)17-5-1-2-6-20(17)39-10-9-34/h1-7,11,18-19,21-22,34H,8-10,12-14H2/t18-,19+,21-,22+,27+,28-/m0/s1
SMILES: CC(C)(C=C)[C@@]12[C@@](C[C@@H]3N1C(=O)[C@H]4C[C@@]5(C6=CC=CC=C6N[C@@]5(N4C3=O)C(C)(C)C=C)O)(C7=CC=CC=C7N2)O
InChI: InChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24+,29+,30-,31-,32+
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)N(C)CC(=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/C39H41NO19/c1-11-5-17-24(31(50)21(11)37(54)40(3)9-20(43)44)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(41)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(45)12(2)57-39)59-38-33(52)30(49)19(42)10-56-38/h5-8,12,19,26,29-30,33-36,38-39,41-42,45,48-53H,9-10H2,1-4H3,(H,43,44)/t12-,19-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1
SMILES: CC1=C2C=CC3=C(C2=C(C4=C1[C@@H]([C@H](C=C4)O)O)C)C=CC(=C3)F
InChI: InChI=1S/C20H17FO2/c1-10-15-7-8-17(22)20(23)19(15)11(2)14-5-3-12-9-13(21)4-6-16(12)18(10)14/h3-9,17,20,22-23H,1-2H3/t17-,20+/m0/s1
SMILES: CCCC1=C[C@@H]2[C@@H]([C@H]3C4=CC=CC=C4[C@@H]2N3S(=O)(=O)C5=CC=C(C=C5)C)C(=C1)CCC
InChI: InChI=1S/C27H31NO2S/c1-4-8-19-16-20(9-5-2)25-24(17-19)26-22-10-6-7-11-23(22)27(25)28(26)31(29,30)21-14-12-18(3)13-15-21/h6-7,10-17,24-27H,4-5,8-9H2,1-3H3/t24-,25+,26+,27-/m1/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O[C@H](C)C5=CC=C(C=C5)C(F)(F)F)C
InChI: InChI=1S/C24H31F3O5/c1-13-5-10-19-14(2)20(28-15(3)16-6-8-17(9-7-16)24(25,26)27)29-21-23(19)18(13)11-12-22(4,30-21)31-32-23/h6-9,13-15,18-21H,5,10-12H2,1-4H3/t13-,14-,15-,18+,19?,20+,21-,22-,23-/m1/s1
SMILES: C[C@]12CCCC[C@@H]1[C@H]3[C@H]([C@](C[C@@H](C2)C3=O)(CO[Si](C)(C)C(C)(C)C)O)CC(=O)OC(C)(C)C
InChI: InChI=1S/C27H48O5Si/c1-24(2,3)32-21(28)14-20-22-19-12-10-11-13-26(19,7)15-18(23(22)29)16-27(20,30)17-31-33(8,9)25(4,5)6/h18-20,22,30H,10-17H2,1-9H3/t18-,19-,20-,22+,26-,27+/m1/s1
SMILES: C[C@@]1(COC2=C([C@H]1CCCCCCCCCC(CCCC(C(F)(F)F)(F)F)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C32H41F5O5/c1-30(23-13-15-24(38)16-14-23)21-42-28-20-25(39)17-18-26(28)27(30)12-8-6-4-2-3-5-7-10-22(29(40)41)11-9-19-31(33,34)32(35,36)37/h13-18,20,22,27,38-39H,2-12,19,21H2,1H3,(H,40,41)/t22?,27-,30-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)O)O
InChI: InChI=1S/C12H11Cl3N2O3/c1-4-9(18)10(19)11(20-4)17-8-3-6(14)5(13)2-7(8)16-12(17)15/h2-4,9-11,18-19H,1H3/t4-,9+,10+,11+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NC6=C(C=C(C=C6)OC)OC)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C49H62N4O13/c1-6-23-52(48(57)62-8-3)44-30-41(51-64-31-32-15-17-34(18-16-32)53(58)59)38-27-33(13-9-11-24-54)37(14-10-12-25-55)45-39-28-36(20-22-42(39)66-49(44,46(38)45)63-26-7-2)65-47(56)50-40-21-19-35(60-4)29-43(40)61-5/h7,15-22,27-29,33,37,44-46,54-55H,2,6,8-14,23-26,30-31H2,1,3-5H3,(H,50,56)/t33-,37+,44-,45+,46+,49+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C7=CC=CC(=C7)C(=O)O)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C38H30N2O7/c1-38-29(34(43)40(37(38)47)22-10-3-2-4-11-22)19-28-25(31(38)27-15-14-20-8-5-6-13-24(20)32(27)41)16-17-26-30(28)35(44)39(33(26)42)23-12-7-9-21(18-23)36(45)46/h2-16,18,26,28-31,41H,17,19H2,1H3,(H,45,46)/t26-,28+,29-,30-,31+,38+/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)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C33H26F5N5O5S/c1-16-23(15-49-33-40-41-42-43(33)21-10-12-22(45)13-11-21)47-32(48-30(16)18-4-2-17(14-44)3-5-18)19-6-8-20(9-7-19)39-31(46)24-25(34)27(36)29(38)28(37)26(24)35/h2-13,16,23,30,32,44-45H,14-15H2,1H3,(H,39,46)/t16-,23+,30+,32+/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C20H18N2O5/c1-27-17-10-13(22(25)26)9-16-14-3-2-4-15(14)18(21-19(16)17)11-5-7-12(8-6-11)20(23)24/h2-3,5-10,14-15,18,21H,4H2,1H3,(H,23,24)/p-1/t14-,15+,18+/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)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C40H33ClFN3O6/c1-40-29(37(48)45(39(40)50)25-13-16-31(42)30(41)19-25)20-28-26(35(40)21-8-17-33(51-2)32(46)18-21)14-15-27-34(28)38(49)44(36(27)47)24-11-9-23(10-12-24)43-22-6-4-3-5-7-22/h3-14,16-19,27-29,34-35,43,46H,15,20H2,1-2H3/t27-,28+,29-,34-,35-,40+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(C=C4)C5=NOC=N5)C(=O)[O-]
InChI: InChI=1S/C21H18N8O6S2/c1-34-26-13(12-8-37-21(22)24-12)17(30)25-14-18(31)29-15(20(32)33)11(7-36-19(14)29)6-28-4-2-10(3-5-28)16-23-9-35-27-16/h2-5,8-9,14,19H,6-7H2,1H3,(H3-,22,24,25,30,32,33)/b26-13-/t14-,19-/m1/s1
SMILES: C[C@]1(C[C@@H]2[C@H]3C[C@@H]([C@@H]2[C@@H]1O)C=C3)O
InChI: InChI=1S/C11H16O2/c1-11(13)5-8-6-2-3-7(4-6)9(8)10(11)12/h2-3,6-10,12-13H,4-5H2,1H3/t6-,7+,8-,9+,10+,11-/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)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=NC=NN6
InChI: InChI=1S/C35H29F5N4O4S/c1-18-25(16-49-35-42-17-43-44-35)47-34(48-32(18)21-8-6-19(15-45)7-9-21)22-12-10-20(11-13-22)24-5-3-2-4-23(24)14-41-33(46)26-27(36)29(38)31(40)30(39)28(26)37/h2-13,17-18,25,32,34,45H,14-16H2,1H3,(H,41,46)(H,42,43,44)/t18-,25+,32+,34+/m0/s1
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C19H26N2O/c1-22-19-4-2-3-18(13-19)21-9-7-20(8-10-21)14-17-12-15-5-6-16(17)11-15/h2-6,13,15-17H,7-12,14H2,1H3/t15-,16+,17-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=CC=CS2
InChI: InChI=1S/C12H13F3N2O3S2/c1-2-20-9(18)7-8(6-4-3-5-22-6)16-10(21)17-11(7,19)12(13,14)15/h3-5,7-8,19H,2H2,1H3,(H2,16,17,21)/t7-,8+,11-/m1/s1
SMILES: CC1=CNC2=C1[C@]34C[C@H]3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC7=C6CCN7C(=O)N
InChI: InChI=1S/C24H21N5O3/c1-11-9-26-21-18(30)7-19-24(20(11)21)8-12(24)10-29(19)22(31)16-6-14-13-4-5-28(23(25)32)17(13)3-2-15(14)27-16/h2-3,6-7,9,12,26-27H,4-5,8,10H2,1H3,(H2,25,32)/t12-,24+/m0/s1
SMILES: COC1=CC2=C(C[C@@H]3C4=C([C@H]2[C@H]5N3CCC5)C=C(C=C4)OC)C=C1
InChI: InChI=1S/C21H23NO2/c1-23-14-6-5-13-10-20-16-8-7-15(24-2)12-18(16)21(17(13)11-14)19-4-3-9-22(19)20/h5-8,11-12,19-21H,3-4,9-10H2,1-2H3/t19-,20+,21-/m0/s1
SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@]1(C[C@@H]1C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C27H32N2O8/c1-25(2,3)36-23(31)28(24(32)37-26(4,5)6)27(16-21(27)19-10-8-7-9-11-19)22(30)35-17-18-12-14-20(15-13-18)29(33)34/h7-15,21H,16-17H2,1-6H3/t21-,27+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@]2(C3=CC=CC=C3[C@H]1C(=O)O2)C4=CC=CC=C4)CBr
InChI: InChI=1S/C20H17BrO4/c1-24-18(22)17-15(11-21)20(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(17)19(23)25-20/h2-10,15-17H,11H2,1H3/t15-,16-,17-,20+/m1/s1
SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5
InChI: InChI=1S/C19H18N2O4/c1-9-7-13(14(21(24)25)8-10(9)2)20-17(22)15-11-3-4-12(16(15)18(20)23)19(11)5-6-19/h3-4,7-8,11-12,15-16H,5-6H2,1-2H3/t11-,12+,15-,16+
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2CN(C[C@@H]2[N+](=O)[O-])CC3=CC=CC=C3
InChI: InChI=1S/C19H20N2O4/c1-25-19(22)16-9-7-15(8-10-16)17-12-20(13-18(17)21(23)24)11-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,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(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C46H48F3N3O5/c1-29-41(27-51(3)30(2)37-22-19-33-9-4-5-10-39(33)25-37)56-44(57-42(29)35-15-13-31(28-53)14-16-35)36-20-17-34(18-21-36)38-11-6-8-32(24-38)26-50-43(54)40-12-7-23-52(40)45(55)46(47,48)49/h4-6,8-11,13-22,24-25,29-30,40-42,44,53H,7,12,23,26-28H2,1-3H3,(H,50,54)/t29-,30+,40-,41+,42+,44+/m0/s1