EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCN([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)O)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C45H57N3O9S/c1-4-23-48(58(53,54)36-20-17-34(18-21-36)46-31(3)51)42-29-40(47-56-30-32-13-7-6-8-14-32)38-27-33(15-9-11-24-49)37(16-10-12-25-50)43-39-28-35(52)19-22-41(39)57-45(42,44(38)43)55-26-5-2/h5-8,13-14,17-22,27-28,33,37,42-44,49-50,52H,2,4,9-12,15-16,23-26,29-30H2,1,3H3,(H,46,51)/t33-,37+,42-,43+,44+,45+/m0/s1
SMILES: C[C@@]12CCCC([C@H]1CC(=O)[C@]3([C@]24[C@H](O4)C[C@H]3C5=CC=CC=C5)C)(C)C
InChI: InChI=1S/C23H30O2/c1-20(2)11-8-12-21(3)17(20)14-18(24)22(4)16(13-19-23(21,22)25-19)15-9-6-5-7-10-15/h5-7,9-10,16-17,19H,8,11-14H2,1-4H3/t16-,17+,19+,21+,22-,23-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)O)O)O
InChI: InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11+,17-,19-,20+,21+,23+,24-,25+,26+,27-,30-,31-,32-,33+/m0/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+/m1/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=CC=C3OC(C)C)C(=O)NC4=CC=CC=C4OC
InChI: InChI=1S/C27H30N2O4/c1-16(2)33-22-14-7-5-10-18(22)25-24(17(3)28-20-12-9-13-21(30)26(20)25)27(31)29-19-11-6-8-15-23(19)32-4/h5-8,10-11,14-16,25-26H,9,12-13H2,1-4H3,(H,29,31)/t25-,26+/m1/s1
SMILES: C1=CC=C(C(=C1)N/N=C/2\[C@@H]([C@H]([C@@H](O2)[C@H](CO)O)O)O)Cl
InChI: InChI=1S/C12H15ClN2O5/c13-6-3-1-2-4-7(6)14-15-12-10(19)9(18)11(20-12)8(17)5-16/h1-4,8-11,14,16-19H,5H2/b15-12+/t8-,9+,10+,11-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2CC=C[C@@H]([C@]2(C(=O)OC)NC(=O)OCC3=CC=CC=C3)O[Si](C)(C)C)C
InChI: InChI=1S/C24H35NO7Si/c1-23(2)30-16-19(31-23)18-13-10-14-20(32-33(4,5)6)24(18,21(26)28-3)25-22(27)29-15-17-11-8-7-9-12-17/h7-12,14,18-20H,13,15-16H2,1-6H3,(H,25,27)/t18-,19+,20-,24+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H](C3=CC=CC=C3)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C19H26O12/c20-9-6-28-18(14(24)11(9)21)29-7-10-12(22)13(23)15(25)19(30-10)31-16(17(26)27)8-4-2-1-3-5-8/h1-5,9-16,18-25H,6-7H2,(H,26,27)/t9-,10-,11+,12-,13+,14-,15-,16-,18+,19+/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@H]([C@H](C2)N(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)[C@@H]3[C@@H]([C@@H]4[C@@H](C3)CCCC4)/C=C/I)/C=C/I)CC1
InChI: InChI=1S/C27H38F6I2N2O4S2/c28-26(29,30)42(38,39)36(24-16-18-6-1-3-8-20(18)22(24)10-12-34)14-5-15-37(43(40,41)27(31,32)33)25-17-19-7-2-4-9-21(19)23(25)11-13-35/h10-13,18-25H,1-9,14-17H2/b12-10+,13-11+/t18-,19-,20+,21+,22-,23-,24+,25+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)C(CCC(=O)N)N)O)O)N
InChI: InChI=1S/C15H22N8O8S/c16-6(1-2-8(17)24)14(27)22-32(28,29)30-3-7-10(25)11(26)15(31-7)23-5-21-9-12(18)19-4-20-13(9)23/h4-7,10-11,15,25-26H,1-3,16H2,(H2,17,24)(H,22,27)(H2,18,19,20)/t6?,7-,10-,11-,15-/m1/s1
SMILES: C1=CC=C(C(=C1)N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C4=CC=C(C=C4)[N+](=O)[O-])Cl
InChI: InChI=1S/C17H10ClN3O5/c18-11-3-1-2-4-12(11)20-16(22)13-14(19-26-15(13)17(20)23)9-5-7-10(8-6-9)21(24)25/h1-8,13,15H/t13-,15+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C21H19N5O5/c27-20(13-8-4-5-9-14(13)21(28)29)22-15-10-30-18-16(11-31-17(15)18)26-19(23-24-25-26)12-6-2-1-3-7-12/h1-9,15-18H,10-11H2,(H,22,27)(H,28,29)/t15-,16-,17+,18+/m0/s1
SMILES: C1[C@H]2C[C@@]3([C@@H]1[C@H]3[C@]2(C(=O)O)N)C(=O)O
InChI: InChI=1S/C9H11NO4/c10-9(7(13)14)3-1-4-5(9)8(4,2-3)6(11)12/h3-5H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,5+,8-,9+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H]2C(=O)N/N=C\C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C21H22Cl2N2O/c1-21(2,3)15-7-4-13(5-8-15)17-11-18(17)20(26)25-24-12-14-6-9-16(22)10-19(14)23/h4-10,12,17-18H,11H2,1-3H3,(H,25,26)/b24-12-/t17-,18-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@]3(CC[C@@H](C([C@@H]3CC[C@]2([C@@H]1C=O)C)(C)C)OCOCCOC)C
InChI: InChI=1S/C24H42O4/c1-17-7-8-20-23(4,18(17)15-25)11-9-19-22(2,3)21(10-12-24(19,20)5)28-16-27-14-13-26-6/h15,17-21H,7-14,16H2,1-6H3/t17-,18-,19+,20+,21+,23+,24+/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4C(=C2)C(=O)OCCO[N+](=O)[O-])C=C(C=C5)Br
InChI: InChI=1S/C22H24BrN3O5/c1-2-22-7-3-8-24-9-6-16-15-5-4-14(23)12-17(15)25(19(16)20(22)24)18(13-22)21(27)30-10-11-31-26(28)29/h4-5,12-13,20H,2-3,6-11H2,1H3/t20-,22+/m1/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O)C(=O)N
InChI: InChI=1S/C10H13N3O7/c11-8(17)4-5(10(18)19)13(2-12-4)9-7(16)6(15)3(1-14)20-9/h2-3,6-7,9,14-16H,1H2,(H2,11,17)(H,18,19)/t3-,6-,7-,9-/m1/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OCC1=CC=CC=C1)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C67H87O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-33-46-69-54-62(70-48-56-34-21-15-22-35-56)55-76-78(68,75-53-61-44-31-20-32-45-61)77-66-64(72-50-58-38-25-17-26-39-58)47-63(71-49-57-36-23-16-24-37-57)65(73-51-59-40-27-18-28-41-59)67(66)74-52-60-42-29-19-30-43-60/h15-32,34-45,62-67H,2-14,33,46-55H2,1H3/t62-,63-,64-,65+,66-,67-,78?/m1/s1
SMILES: CCC[C@H]1[C@H]([NH2+][C@@H]([C@@H]([C@@]1(C2=CC=C(C=C2)F)O)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H30FNO/c1-3-10-24-26(21-13-8-5-9-14-21)29-25(20-11-6-4-7-12-20)19(2)27(24,30)22-15-17-23(28)18-16-22/h4-9,11-19,24-26,29-30H,3,10H2,1-2H3/p+1/t19-,24-,25-,26+,27-/m0/s1
SMILES: CC1=CC2=C(C(=C1)Cl)NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C23H20ClFN4O4/c1-10-6-13-19(14(24)7-10)27-22(33)23(13)18-17(15(28-23)8-16(26)30)20(31)29(21(18)32)9-11-2-4-12(25)5-3-11/h2-7,15,17-18,28H,8-9H2,1H3,(H2,26,30)(H,27,33)/t15-,17+,18-,23-/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@H]1NC(=O)C6=CC=CC=C6)O4)O)O)OC(=O)C7=CC=CN7)(C(C)C)O)C)O)C)O
InChI: InChI=1S/C32H40N2O9/c1-17(2)29(39)24(42-23(36)20-12-9-15-33-20)30(40)25(4)16-28(38)26(29,5)32(30,41)31(43-28)21(18(3)13-14-27(25,31)37)34-22(35)19-10-7-6-8-11-19/h6-12,15,17-18,21,24,33,37-41H,13-14,16H2,1-5H3,(H,34,35)/t18-,21-,24+,25-,26+,27-,28-,29+,30+,31+,32+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3C[C@@H]([C@@H]([C@@]3(CC2)C(F)(F)F)COC(=O)[C@@](C4=CC=CC=C4)(C(F)(F)F)OC)OC(=O)[C@@](C5=CC=CC=C5)(C(F)(F)F)OC
InChI: InChI=1S/C36H33F9O7/c1-48-24-14-15-25-21(18-24)16-17-31(34(37,38)39)26(25)19-28(52-30(47)33(50-3,36(43,44)45)23-12-8-5-9-13-23)27(31)20-51-29(46)32(49-2,35(40,41)42)22-10-6-4-7-11-22/h4-15,18,26-28H,16-17,19-20H2,1-3H3/t26-,27-,28-,31-,32-,33-/m0/s1
SMILES: CC[C@@H]1C2([C@H]([C@H]([C@@H](O2)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OCC3CC(NO3)C4=CC=CC=C4)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)N)C
InChI: InChI=1S/C39H65N3O9/c1-11-30-39(8)34(40)23(4)32(50-39)21(2)19-38(7,45)35(49-37-31(43)29(42(9)10)17-22(3)47-37)24(5)33(25(6)36(44)48-30)46-20-27-18-28(41-51-27)26-15-13-12-14-16-26/h12-16,21-25,27-35,37,41,43,45H,11,17-20,40H2,1-10H3/t21-,22-,23+,24+,25-,27?,28?,29+,30-,31-,32+,33+,34+,35-,37?,38-,39?/m1/s1
SMILES: C1[C@@H]([C@H](OC1N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H21ClN4O5/c26-22-21-23(28-14-27-22)30(15-29-21)20-11-18(12-33-24(31)16-7-3-1-4-8-16)19(35-20)13-34-25(32)17-9-5-2-6-10-17/h1-10,14-15,18-20H,11-13H2/t18-,19-,20?/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)CN(C)[C@H](C)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C38H44N2O5/c1-25-35(23-40(4)26(2)36(43)30-10-6-5-7-11-30)44-38(45-37(25)31-16-14-28(24-41)15-17-31)32-20-18-29(19-21-32)34-13-9-8-12-33(34)22-39-27(3)42/h5-21,25-26,35-38,41,43H,22-24H2,1-4H3,(H,39,42)/t25-,26-,35+,36-,37+,38+/m1/s1
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H14N2O10/c15-4-8-9(16)10(17)11(18)12(24-8)23-7-2-1-5(13(19)20)3-6(7)14(21)22/h1-3,8-12,15-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: CO[C@@H]1C=C[C@@H]([C@H](O1)CC[C@H]2[C@@H](C=C[C@@H](O2)OC)O)O
InChI: InChI=1S/C14H22O6/c1-17-13-7-3-9(15)11(19-13)5-6-12-10(16)4-8-14(18-2)20-12/h3-4,7-16H,5-6H2,1-2H3/t9-,10+,11+,12-,13-,14+
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C37H29NO7/c1-19-16-30(40)33-28(34(19)41)18-26-24(31(33)27-17-23(45-2)12-15-29(27)39)13-14-25-32(26)37(44)38(36(25)43)22-10-8-21(9-11-22)35(42)20-6-4-3-5-7-20/h3-13,15-17,25-26,31-32,39H,14,18H2,1-2H3/t25-,26+,31+,32-/m0/s1
SMILES: C[C@@H]1C[C@@]([C@@H](CN1C)C)(CCN(CC2=CC(=C(C=C2)OC)OC)C(=O)C)CC3=CC=CC=C3
InChI: InChI=1S/C28H40N2O3/c1-21-19-29(4)22(2)17-28(21,18-24-10-8-7-9-11-24)14-15-30(23(3)31)20-25-12-13-26(32-5)27(16-25)33-6/h7-13,16,21-22H,14-15,17-20H2,1-6H3/t21-,22-,28+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(C1C3=CN4C=[N+](C(=C4S3)SC)C)C(=O)[O-])[C@H](C)O
InChI: InChI=1S/C17H21N3O4S2/c1-7-10(9-5-19-6-18(3)15(25-4)16(19)26-9)13(17(23)24)20-12(7)11(8(2)21)14(20)22/h5-8,10-13,21H,1-4H3/t7-,8-,10?,11+,12+,13?/m0/s1
SMILES: CC1=C2C(=CC=C1)C3=C(N2CC4=CC=C(C=C4)F)[C@H]5[C@@]67CCN([C@@H]([C@@]6(C3)OCC8=CC=C(C=C8)F)CC9=C7C(=C(C=C9)O)O5)CC1CC1
InChI: InChI=1S/C41H38F2N2O3/c1-24-3-2-4-31-32-20-41(47-23-27-9-14-30(43)15-10-27)34-19-28-11-16-33(46)38-35(28)40(41,17-18-44(34)21-25-5-6-25)39(48-38)37(32)45(36(24)31)22-26-7-12-29(42)13-8-26/h2-4,7-16,25,34,39,46H,5-6,17-23H2,1H3/t34-,39+,40+,41-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)C(=O)O)N[C@H]2C5=CC=C(C=C5)F
InChI: InChI=1S/C25H20ClFN2O4S/c26-22-20(34-19-7-2-1-6-18(19)29(32)33)12-17-21(22)15-4-3-5-16(25(30)31)24(15)28-23(17)13-8-10-14(27)11-9-13/h1-11,17,20-23,28H,12H2,(H,30,31)/t17-,20-,21-,22+,23-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2OC3=C(OC4=C(C3=O)C=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)OC)O)O)O)O)O
InChI: InChI=1S/C38H48O18/c1-15(2)5-10-19-22(52-37-31(48)29(46)27(44)23(13-39)53-37)12-11-20-25(42)34(32(54-33(19)20)17-6-8-18(49-4)9-7-17)55-38-35(26(43)21(40)14-50-38)56-36-30(47)28(45)24(41)16(3)51-36/h5-9,11-12,16,21,23-24,26-31,35-41,43-48H,10,13-14H2,1-4H3/t16-,21+,23+,24+,26-,27+,28+,29-,30+,31+,35+,36-,37+,38-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2[C@H](NC(=O)NC2=C)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H23N3O3/c1-16-22(24(29)27-20-12-14-21(31-2)15-13-20)23(28-25(30)26-16)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,22-23H,1H2,2H3,(H,27,29)(H2,26,28,30)/t22-,23-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC(=CC(=C3)OCC(=O)N[C@H]4[C@@H]5N(C4=O)C(=C(CS5(=O)=O)C)C(=O)O)OCC(=O)N[C@H]6[C@@H]7N(C6=O)C(=C(CS7(=O)=O)C)C(=O)O)S(=O)(=O)C1)C(=O)O
InChI: InChI=1S/C36H36N6O21S3/c1-13-10-64(55,56)31-22(28(46)40(31)25(13)34(49)50)37-19(43)7-61-16-4-17(62-8-20(44)38-23-29(47)41-26(35(51)52)14(2)11-65(57,58)32(23)41)6-18(5-16)63-9-21(45)39-24-30(48)42-27(36(53)54)15(3)12-66(59,60)33(24)42/h4-6,22-24,31-33H,7-12H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,49,50)(H,51,52)(H,53,54)/t22-,23-,24-,31-,32-,33-/m1/s1
SMILES: CC(CC1=CC=CC=C1)C(C(=C)CC[C@]23[C@@H]([C@H]([C@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)OC)O)OC(=O)C
InChI: InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(36-4)26(39-24,23(33)34)25(35,22(31)32)20(38-24)21(29)30/h5-9,14,17-20,28,35H,1,10-12H2,2-4H3,(H,29,30)(H,31,32)(H,33,34)/t14?,17?,18-,19-,20-,24-,25-,26-/m1/s1
SMILES: CN1[C@@H]([C@@H](C(=N1)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5
InChI: InChI=1S/C22H19N5/c1-26-21(17-12-6-3-7-13-17)22(20(24-26)16-10-4-2-5-11-16)27-19-15-9-8-14-18(19)23-25-27/h2-15,21-22H,1H3/t21-,22-/m1/s1
SMILES: C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10+,11+,12+,13+/m0/s1
SMILES: C1CC[NH+]2CCC[C@@H]([C@@H]2C1)COC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C17H23FN2O2/c18-14-7-1-2-8-15(14)19-17(21)22-12-13-6-5-11-20-10-4-3-9-16(13)20/h1-2,7-8,13,16H,3-6,9-12H2,(H,19,21)/p+1/t13-,16+/m1/s1
SMILES: C[C@]12C[C@H]([C@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)C=C[C@@]34C)O
InChI: InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15+,16-,17-,19-,20-,21+/m1/s1
SMILES: CC(=O)O[C@@H]1CS[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C11H15BrO6S/c1-5(13)16-8-4-19-11(12)10(18-7(3)15)9(8)17-6(2)14/h8-11H,4H2,1-3H3/t8-,9+,10-,11-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2CCC3=C([C@@H]2C(C)C)N(C4=CC=CC=C34)CC5=CC=CC=C5)C(C)(C)C6=CC=CC=C6
InChI: InChI=1S/C38H46N2O2/c1-26(2)35-36-31(30-18-12-13-19-33(30)40(36)25-28-14-8-6-9-15-28)22-23-39(35)37(41)42-34-24-27(3)20-21-32(34)38(4,5)29-16-10-7-11-17-29/h6-19,26-27,32,34-35H,20-25H2,1-5H3/t27-,32-,34-,35+/m1/s1
SMILES: COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C22H31N3O4/c1-28-17-6-8-18(9-7-17)29-15-14-23-10-12-24(13-11-23)16-25-21(26)19-4-2-3-5-20(19)22(25)27/h6-9,19-20H,2-5,10-16H2,1H3/p+2/t19-,20-/m1/s1
SMILES: CCCCN(CCN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4)S(=O)(=O)CCC
InChI: InChI=1S/C30H42N2O7S/c1-5-8-15-32(40(34,35)18-6-2)17-16-31-20-25(23-11-14-26-27(19-23)39-21-38-26)28(30(33)37-7-3)29(31)22-9-12-24(36-4)13-10-22/h9-14,19,25,28-29H,5-8,15-18,20-21H2,1-4H3/t25-,28-,29+/m1/s1
SMILES: CO[C@H]1C=C[C@H]([C@@H]2[C@H]1[C@H]3CC(=O)[C@@H]2C=C3)OC
InChI: InChI=1S/C14H18O3/c1-16-11-5-6-12(17-2)14-9-4-3-8(13(11)14)7-10(9)15/h3-6,8-9,11-14H,7H2,1-2H3/t8-,9+,11+,12-,13+,14-/m1/s1
SMILES: CC(CCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C34H52O10/c1-20(9-12-29(37)38)24-10-11-25-30-26(18-28(32(24,25)5)40-22(3)36)31(4)15-16-34(19-23(31)17-27(30)39-21(2)35)43-41-33(42-44-34)13-7-6-8-14-33/h20,23-28,30H,6-19H2,1-5H3,(H,37,38)/t20?,23-,24-,25?,26?,27-,28+,30?,31+,32-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)Br)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H35BrO17/c1-10(28)35-8-18-20(38-12(3)30)22(40-14(5)32)24(42-16(7)34)26(44-18)36-9-17-19(37-11(2)29)21(39-13(4)31)23(25(27)43-17)41-15(6)33/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20+,21+,22+,23-,24-,25+,26+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N)CN(C)[C@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C29H36N2O4/c1-19-26(17-31(3)20(2)27(33)22-8-5-4-6-9-22)34-29(24-10-7-11-25(30)16-24)35-28(19)23-14-12-21(18-32)13-15-23/h4-16,19-20,26-29,32-33H,17-18,30H2,1-3H3/t19-,20+,26+,27+,28+,29+/m0/s1
SMILES: C[C@@]1(C[C@@H]1[C@H]2C[C@@H]2CO[Si](C)(C)C(C)(C)C)CCC(C3=CC=CS3)O
InChI: InChI=1S/C21H36O2SSi/c1-20(2,3)25(5,6)23-14-15-12-16(15)17-13-21(17,4)10-9-18(22)19-8-7-11-24-19/h7-8,11,15-18,22H,9-10,12-14H2,1-6H3/t15-,16+,17-,18?,21+/m1/s1
SMILES: CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)O[C@H](C)C(=O)N4CC[C@@]5(CCCC[C@@H]5[C@@H]4C6=CC=CC=C6)O
InChI: InChI=1S/C31H35NO5/c1-19-17-25(27-22-11-8-12-23(22)30(34)37-26(27)18-19)36-20(2)29(33)32-16-15-31(35)14-7-6-13-24(31)28(32)21-9-4-3-5-10-21/h3-5,9-10,17-18,20,24,28,35H,6-8,11-16H2,1-2H3/t20-,24-,28+,31-/m1/s1
SMILES: C1C[C@@H]2[C@@]3(CC4=CC=CC=C4N2C1)C(=O)NC(=O)N(C3=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C21H18ClN3O3/c22-14-6-3-7-15(11-14)25-19(27)21(18(26)23-20(25)28)12-13-5-1-2-8-16(13)24-10-4-9-17(21)24/h1-3,5-8,11,17H,4,9-10,12H2,(H,23,26,28)/t17-,21+/m1/s1
SMILES: CC(=C)[C@H]1C/C=C\2/[C@@H]([C@@H](C[C@@]3(CC(=O)[C@@H](O3)CC(=O)C1)C)OC2=O)O
InChI: InChI=1S/C19H24O6/c1-10(2)11-4-5-13-17(22)16(24-18(13)23)9-19(3)8-14(21)15(25-19)7-12(20)6-11/h5,11,15-17,22H,1,4,6-9H2,2-3H3/b13-5-/t11-,15-,16+,17-,19-/m0/s1
SMILES: C[C@H](CCC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(C5=CC=CC=C5)C6=CC=CC=C6)C)O)O)C
InChI: InChI=1S/C38H52O5/c1-24(15-18-34(41)42-4)29-16-17-30-35-31(23-33(40)38(29,30)3)37(2)20-19-28(21-27(37)22-32(35)39)43-36(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,24,27-33,35-36,39-40H,15-23H2,1-4H3/t24-,27+,28-,29-,30+,31+,32-,33+,35+,37+,38-/m1/s1
SMILES: CCOC(=O)CCN[C@@H](CC(=O)OCC)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC
InChI: InChI=1S/C18H31NO8/c1-6-23-12(20)8-9-19-11(10-13(21)24-7-2)14-15(22-5)16-17(25-14)27-18(3,4)26-16/h11,14-17,19H,6-10H2,1-5H3/t11-,14+,15-,16+,17+/m0/s1
SMILES: C[C@]12CC[C@@](C[C@]1(CC[C@@H]2CO)O)(C3=CN=CC=C3)O
InChI: InChI=1S/C16H23NO3/c1-14-6-7-15(19,12-3-2-8-17-9-12)11-16(14,20)5-4-13(14)10-18/h2-3,8-9,13,18-20H,4-7,10-11H2,1H3/t13-,14-,15-,16+/m1/s1
SMILES: CO[C@H]1C[C@@H]([C@H]([C@@H]1OC)C(C(C2=CC=CC=C2)O)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C39H40O5P2/c1-43-34-28-35(45(41,30-20-10-4-11-21-30)31-22-12-5-13-23-31)36(38(34)44-2)39(37(40)29-18-8-3-9-19-29)46(42,32-24-14-6-15-25-32)33-26-16-7-17-27-33/h3-27,34-40H,28H2,1-2H3/t34-,35-,36+,37?,38+,39?/m0/s1
SMILES: COC1=CC(=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)OC
InChI: InChI=1S/C21H23NO7/c1-27-13-7-8-16(18(11-13)28-2)17(23)12-29-19(24)9-10-22-20(25)14-5-3-4-6-15(14)21(22)26/h3-4,7-8,11,14-15H,5-6,9-10,12H2,1-2H3/t14-,15-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H27FN2O3S/c1-14-5-2-3-7-18(14)21-19(23)15-6-4-12-22(13-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,21,23)/t14-,15-,18-/m1/s1
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)CN2C(=O)[C@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C21H29N3O3/c1-4-14(2)16-10-5-6-11-17(16)22-18(25)13-24-19(26)21(23-20(24)27)12-8-7-9-15(21)3/h5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3,(H,22,25)(H,23,27)/t14-,15+,21-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC=C5F)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C58H64FN3O9/c1-5-33-69-58-53(61(37-42-19-14-18-40-15-6-8-20-46(40)42)54(65)30-25-39-23-26-44(27-24-39)62(66)67)36-51(60-71-57(2,3)4)48-34-41(16-10-12-31-63)47(21-11-13-32-64)55(56(48)58)49-35-45(28-29-52(49)70-58)68-38-43-17-7-9-22-50(43)59/h5-9,14-15,17-20,22-30,34-35,41,47,53,55-56,63-64H,1,10-13,16,21,31-33,36-38H2,2-4H3/t41-,47+,53-,55+,56+,58+/m0/s1
SMILES: CCCC(C(=O)C(=O)N[C@@H](C)CC)NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)C)NC(=O)C3=NC=CN=C3
InChI: InChI=1S/C34H51N7O6/c1-9-12-23(27(42)32(46)37-20(5)10-2)38-31(45)26-22-14-11-13-21(22)18-41(26)33(47)28(34(6,7)8)40-30(44)25(19(3)4)39-29(43)24-17-35-15-16-36-24/h11,13,15-17,19-23,25-26,28H,9-10,12,14,18H2,1-8H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t20-,21-,22-,23?,25+,26-,28+/m0/s1
SMILES: C[C@@]12C=C[C@@H](O1)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C16H13NO5/c1-16-7-6-10(22-16)11-12(16)14(19)17(13(11)18)9-4-2-8(3-5-9)15(20)21/h2-7,10-12H,1H3,(H,20,21)/t10-,11-,12+,16+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)[O-]
InChI: InChI=1S/C17H22N2O5/c20-15(12-4-1-2-5-13(12)17(22)23)18-7-9-19(10-8-18)16(21)14-6-3-11-24-14/h3,6,11-13H,1-2,4-5,7-10H2,(H,22,23)/p-1/t12-,13+/m1/s1
SMILES: CC(=O)[C@@H]1[C@@H]([C@@]([C@@H]2N1C3=C(C=C2)C=C(C=C3)Cl)(C#N)C(=O)N)C4=CC=NC=C4
InChI: InChI=1S/C21H17ClN4O2/c1-12(27)19-18(13-6-8-25-9-7-13)21(11-23,20(24)28)17-5-2-14-10-15(22)3-4-16(14)26(17)19/h2-10,17-19H,1H3,(H2,24,28)/t17-,18+,19-,21+/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)O[C@H]1[C@@H](C(C(=C)[C@@]2([C@@]1([C@@H](C[C@H]2OC(=O)CC)C3=COC=C3)C)O)[C@]4([C@H](C[C@]5(OC[C@@]([C@@H]4CC(=O)OC)(O5)C)O)OC(=O)C)C)OC=O)O
InChI: InChI=1S/C39H54O16/c1-10-20(3)31(44)34(45)54-33-32(50-19-40)30(21(4)39(47)26(53-28(42)11-2)14-24(37(33,39)8)23-12-13-49-17-23)36(7)25(15-29(43)48-9)35(6)18-51-38(46,55-35)16-27(36)52-22(5)41/h12-13,17,19-20,24-27,30-33,44,46-47H,4,10-11,14-16,18H2,1-3,5-9H3/t20-,24-,25-,26+,27-,30?,31-,32+,33-,35-,36+,37+,38+,39+/m0/s1
SMILES: CC(C)[C@@H](C(=O)N[C@H]1CCCCC/C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=NC(=NC5=C4SC=C5)C6=CC=NN6C)C(=O)O)O
InChI: InChI=1S/C33H41N7O7S/c1-18(2)25(41)29(43)36-22-10-8-6-4-5-7-9-19-16-33(19,32(45)46)38-28(42)24-15-20(17-40(24)31(22)44)47-30-26-21(12-14-48-26)35-27(37-30)23-11-13-34-39(23)3/h7,9,11-14,18-20,22,24-25,41H,4-6,8,10,15-17H2,1-3H3,(H,36,43)(H,38,42)(H,45,46)/b9-7+/t19-,20-,22+,24+,25+,33-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C[C@@](NC2=O)(OC4=CC=CC=C34)C
InChI: InChI=1S/C22H22N2O5/c1-3-28-21(27)13-8-10-14(11-9-13)23-19(25)18-16-12-22(2,24-20(18)26)29-17-7-5-4-6-15(16)17/h4-11,16,18H,3,12H2,1-2H3,(H,23,25)(H,24,26)/t16-,18-,22-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3[C@H]2C(=O)N(C(=O)N3)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H18FN3O4S/c1-12-2-8-15(9-3-12)28(26,27)22-11-10-16-17(22)18(24)23(19(25)21-16)14-6-4-13(20)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,25)/t16-,17+/m1/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
InChI: InChI=1S/C26H25N5O/c1-16(2)31-11-10-18-21(12-27)25(30)26(14-28,15-29)24(22(18)13-31)20-8-9-23(32-3)19-7-5-4-6-17(19)20/h4-10,16,22,24H,11,13,30H2,1-3H3/t22-,24-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC=CC(=C4)C
InChI: InChI=1S/C20H22N2O3S/c1-3-15-7-9-16(10-8-15)21-18-12-26(24,25)13-19(18)22(20(21)23)17-6-4-5-14(2)11-17/h4-11,18-19H,3,12-13H2,1-2H3/t18-,19-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CCC(=C)[C@H]2CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)(C)C)O
InChI: InChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22+,23-,24-,25-,26-,29+,30+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)C3=CC=CC=C3)[C@@H]4[C@@]5(COC6=CC=CC=C6C5=O)[C@H]([C@@H](N4)C(=O)OC)C7=CC=CC=C7
InChI: InChI=1S/C36H32N2O6/c1-42-25-19-17-24(18-20-25)38-31(28(34(38)40)22-11-5-3-6-12-22)32-36(21-44-27-16-10-9-15-26(27)33(36)39)29(23-13-7-4-8-14-23)30(37-32)35(41)43-2/h3-20,28-32,37H,21H2,1-2H3/t28-,29-,30+,31-,32+,36+/m0/s1
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-]
InChI: InChI=1S/C18H19NO7/c1-25-17(23)10-7-8-13(18(24)26-2)14(9-10)19-15(20)11-5-3-4-6-12(11)16(21)22/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)/p-1/t11-,12-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H29O13P/c1-16(27)32-15-22-23(33-17(2)28)24(34-18(3)29)25(35-19(4)30)26(36-22)39-40(31,37-20-11-7-5-8-12-20)38-21-13-9-6-10-14-21/h5-14,22-26H,15H2,1-4H3/t22-,23-,24+,25+,26+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC6=C(S5)N=CC=C6
InChI: InChI=1S/C38H47N5O4S/c1-38(2,3)41-36(47)32-24-42(23-30-20-27-13-9-15-39-37(27)48-30)16-17-43(32)22-29(44)19-28(18-25-10-5-4-6-11-25)35(46)40-34-31-14-8-7-12-26(31)21-33(34)45/h4-15,20,28-29,32-34,44-45H,16-19,21-24H2,1-3H3,(H,40,46)(H,41,47)/t28-,29+,32+,33-,34+/m1/s1
SMILES: CCCN(C)C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=CC=C4)O)C)C)O
InChI: InChI=1S/C33H45NO3/c1-5-20-34(4)23-33(37)19-17-30-28-16-14-25(22-29(28)31(36)26-11-7-6-8-12-26)21-27(35)15-13-24(2)10-9-18-32(30,33)3/h6-8,10-12,14,16,22,27,30,35,37H,5,9,13,15,17-21,23H2,1-4H3/t27-,30-,32-,33+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)N3C=C(C(=NC3=O)N)C4=CC=CO4)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C29H27N3O7/c1-17-5-9-19(10-6-17)27(33)37-16-24-23(39-28(34)20-11-7-18(2)8-12-20)14-25(38-24)32-15-21(22-4-3-13-36-22)26(30)31-29(32)35/h3-13,15,23-25H,14,16H2,1-2H3,(H2,30,31,35)/t23-,24+,25-/m0/s1
SMILES: C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC3=C(C(=C2O)CC/C=C(\[C@@H]1O)/C)SCC(=O)N3)OC)OC(=O)[C@@H](C)NC(=O)C4CCCCC4
InChI: InChI=1S/C38H51N3O8S/c1-23-14-13-18-28-35(45)29(21-30-36(28)50-22-33(43)41-30)40-32(42)20-27(48-4)17-11-6-5-7-12-19-31(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14,17,21,24-27,31,34,44-45H,8-10,13,15-16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5+,12-7+,17-11+,23-14-/t24-,25+,27-,31-,34-/m0/s1