EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCOP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)OC(=O)C
InChI: InChI=1S/C30H37N6O11P/c1-16-11-20-21(12-17(16)2)35(26-25(31-20)28(39)33-29(40)32-26)9-7-5-6-8-10-44-48(42,43)45-15-23-22(46-19(4)37)13-24(47-23)36-14-18(3)27(38)34-30(36)41/h11-12,14,22-24H,5-10,13,15H2,1-4H3,(H,42,43)(H,33,39,40)(H,34,38,41)/t22-,23+,24+/m0/s1
SMILES: C1CC[C@]2([C@H](C1)C([C@@H]3CCCC[C@@]3(N2C4=CC=CC=C4)C#N)C5=CC=CC=C5)C#N
InChI: InChI=1S/C27H29N3/c28-19-26-17-9-7-15-23(26)25(21-11-3-1-4-12-21)24-16-8-10-18-27(24,20-29)30(26)22-13-5-2-6-14-22/h1-6,11-14,23-25H,7-10,15-18H2/t23-,24+,25?,26-,27-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC2=CC=C(C=C2)C=O)CO)O)O
InChI: InChI=1S/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-4-2-9(6-17)3-5-10/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12-,13+,14-,15-/m1/s1
SMILES: C/C(=N\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)OC(=O)C)C)C
InChI: InChI=1S/C23H37NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21,26H,5-13H2,1-4H3/b24-14+/t16-,17-,18+,19+,20+,21+,22-,23+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)N)O)O)OP(=O)(O)O
InChI: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2C[C@@H]2C3=NNC(=S)N3C4=CC=C(C=C4)F
InChI: InChI=1S/C18H16FN3S/c1-11-2-4-12(5-3-11)15-10-16(15)17-20-21-18(23)22(17)14-8-6-13(19)7-9-14/h2-9,15-16H,10H2,1H3,(H,21,23)/t15-,16-/m0/s1
SMILES: C[C@]12CCC[C@]([C@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)C[NH+](C)C)(C)C(=O)NC
InChI: InChI=1S/C24H38N2O2/c1-17-8-11-21-23(2,13-7-14-24(21,3)22(27)25-4)19(17)10-9-18-12-15-28-20(18)16-26(5)6/h12,15,19,21H,1,7-11,13-14,16H2,2-6H3,(H,25,27)/p+1/t19-,21-,23+,24-/m0/s1
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C23H27NO/c1-24(22(25)16-21-15-17-12-13-20(21)14-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3/t17-,20-,21-/m0/s1
SMILES: [3H]C1=CC2=C(CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C(=C1OS(=O)(=O)O)[3H]
InChI: InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22)/t14-,16+,17+,18+/m1/s1/i3T,10T
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@](C3=C)(C)O)O)C
InChI: InChI=1S/C28H46O3/c1-19(9-7-15-26(3,4)30)24-13-14-25-21(10-8-16-27(24,25)5)11-12-22-17-23(29)18-28(6,31)20(22)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11+,22-12-/t19-,23-,24-,25+,27-,28-/m1/s1
SMILES: CC(C)[C@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)Br)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H20BrN3O3/c1-11(2)18-16-17(20(28)26(19(16)27)13-9-7-12(23)8-10-13)22(25-18)14-5-3-4-6-15(14)24-21(22)29/h3-11,16-18,25H,1-2H3,(H,24,29)/t16-,17+,18+,22+/m1/s1
SMILES: CCC(=O)O[C@@]1(C[C@@H](N(C[C@@H]1C)C)C)C2=CC=CC(=C2)C
InChI: InChI=1S/C18H27NO2/c1-6-17(20)21-18(16-9-7-8-13(2)10-16)11-15(4)19(5)12-14(18)3/h7-10,14-15H,6,11-12H2,1-5H3/t14-,15-,18+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8
InChI: InChI=1S/C39H26Cl2FN3O6/c40-38-19-27-24(32(25-5-1-3-7-29(25)46)39(38,41)37(50)45(36(38)49)23-15-11-21(42)12-16-23)17-18-26-31(27)35(48)44(34(26)47)22-13-9-20(10-14-22)33-43-28-6-2-4-8-30(28)51-33/h1-17,26-27,31-32,46H,18-19H2/t26-,27+,31-,32+,38+,39-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(NC(=O)[C@@H]3C[C@@H](CN3C1=O)N4N=C(C(=N4)C5=NC=CS5)C6=CC=CC=C6)C(=O)O
InChI: InChI=1S/C34H41N7O6S/c1-33(2,3)47-32(46)36-24-15-11-6-4-5-10-14-22-19-34(22,31(44)45)37-28(42)25-18-23(20-40(25)30(24)43)41-38-26(21-12-8-7-9-13-21)27(39-41)29-35-16-17-48-29/h7-10,12-14,16-17,22-25H,4-6,11,15,18-20H2,1-3H3,(H,36,46)(H,37,42)(H,44,45)/b14-10-/t22-,23+,24+,25+,34+/m1/s1
SMILES: C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)CCC2(CCC3=C(C=C(C(=C3O2)I)C)O)C)C
InChI: InChI=1S/C22H31IO3/c1-13-12-18(25)16-8-9-21(4,26-20(16)19(13)23)10-11-22(5)14(2)6-7-17(24)15(22)3/h12,14-15,25H,6-11H2,1-5H3/t14-,15+,21?,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C16H20N2O3/c1-12-6-2-4-8-14(12)17-16(19)11-10-13-7-3-5-9-15(13)18(20)21/h3,5,7,9-12,14H,2,4,6,8H2,1H3,(H,17,19)/b11-10+/t12-,14+/m1/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=C(/CO)\OC)CC=C4[C@@]3(CCC5(C4)OCCO5)CC#C
InChI: InChI=1S/C26H36O4/c1-4-10-25-12-13-26(29-14-15-30-26)16-18(25)5-6-19-20-7-8-22(23(17-27)28-3)24(20,2)11-9-21(19)25/h1,5,19-21,27H,6-17H2,2-3H3/b23-22+/t19-,20-,21-,24-,25-/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5OC)Cl
InChI: InChI=1S/C24H23ClN4O5/c1-11-14(25)8-7-13-20(11)27-23(33)24(13)19-18(15(28-24)9-17(26)30)21(31)29(22(19)32)10-12-5-3-4-6-16(12)34-2/h3-8,15,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t15-,18-,19+,24+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O
InChI: InChI=1S/C36H62O10/c1-18(25(38)28(41)30(43)33(4,5)44)19-13-14-36(8)23-11-9-20-21(34(23,6)15-16-35(19,36)7)10-12-24(32(20,2)3)46-31-29(42)27(40)26(39)22(17-37)45-31/h9,18-19,21-31,37-44H,10-17H2,1-8H3/t18-,19+,21-,22+,23?,24?,25-,26+,27-,28+,29+,30+,31-,34+,35+,36-/m0/s1
SMILES: C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C/C=C\[C@H]6[C@H](O5)CO[C@@H](O6)CC(=O)O)O[C@H]3[C@@H]2O
InChI: InChI=1S/C25H32O10/c26-21(27)11-22-30-12-20-14(34-22)6-3-5-13-15(32-20)7-8-16-18(31-13)10-19-25(35-16)23(28)24-17(33-19)4-1-2-9-29-24/h1-3,6-8,13-20,22-25,28H,4-5,9-12H2,(H,26,27)/b6-3-/t13-,14+,15+,16-,17+,18+,19-,20-,22+,23-,24+,25-/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H16Cl2N2O3/c1-2-22-18(24)15-16(13-9-8-11(20)10-14(13)21)23(26-17(15)19(22)25)12-6-4-3-5-7-12/h3-10,15-17H,2H2,1H3/t15-,16-,17-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC
InChI: InChI=1S/C20H27NO4/c1-14-6-4-9-18(15(14)2)21-19(22)13-25-20(23)11-10-16-7-5-8-17(12-16)24-3/h5,7-8,10-12,14-15,18H,4,6,9,13H2,1-3H3,(H,21,22)/b11-10+/t14-,15+,18+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=C(C=C2)OC)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C=C/C3=NC(=CO3)[C@H]4C[C@@H](C[C@H](O4)C[C@H]5CC(=C)C[C@@H](O5)CCO)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C52H87NO9Si2/c1-33(2)64(34(3)4,35(5)6)62-45-29-44(28-43-27-36(7)26-42(58-43)24-25-54)59-48(30-45)46-32-56-49(53-46)19-17-18-47-37(8)50(57-31-40-20-22-41(55-14)23-21-40)38(9)51(60-47)39(10)61-63(15,16)52(11,12)13/h17,19-23,32-35,37-39,42-45,47-48,50-51,54H,7,18,24-31H2,1-6,8-16H3/b19-17+/t37-,38+,39+,42-,43+,44+,45+,47+,48+,50-,51+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)[C@@H](CBr)O)C3=CC=CC=C3
InChI: InChI=1S/C18H18BrNO3/c1-23-14-9-7-13(8-10-14)20-17(12-5-3-2-4-6-12)16(18(20)22)15(21)11-19/h2-10,15-17,21H,11H2,1H3/t15-,16-,17-/m1/s1
SMILES: CCC[C@]12[C@](N[C@@H](CO1)C3=CC=CC=C3)(OC[C@H](N2)C4=CC=CC=C4)C
InChI: InChI=1S/C22H28N2O2/c1-3-14-22-21(2,23-19(16-26-22)17-10-6-4-7-11-17)25-15-20(24-22)18-12-8-5-9-13-18/h4-13,19-20,23-24H,3,14-16H2,1-2H3/t19-,20-,21+,22+/m0/s1
SMILES: CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]2C[C@H]2C[C@@H](C(=O)OCC3=CC4=CC=CC=C4C=C3)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C33H43N3O8/c1-7-18(2)26-27(43-31(26)40)29(38)35-24-15-23(24)16-25(36-28(37)19(3)34-32(41)44-33(4,5)6)30(39)42-17-20-12-13-21-10-8-9-11-22(21)14-20/h8-14,18-19,23-27H,7,15-17H2,1-6H3,(H,34,41)(H,35,38)(H,36,37)/t18-,19-,23-,24-,25-,26-,27+/m0/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)CCC=C(O2)OS(=O)(=O)C(F)(F)F)C
InChI: InChI=1S/C11H15F3O6S/c1-10(2)17-6-8-7(19-10)4-3-5-9(18-8)20-21(15,16)11(12,13)14/h5,7-8H,3-4,6H2,1-2H3/t7-,8+/m0/s1
SMILES: CC(C)(C)OC(=O)NC1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=CC(=NC5=C4C=CC(=C5)OC)N6C=CC=N6)C(=O)O
InChI: InChI=1S/C36H44N6O8/c1-35(2,3)50-34(47)39-26-12-9-7-5-6-8-11-22-20-36(22,33(45)46)40-31(43)28-18-24(21-41(28)32(26)44)49-29-19-30(42-16-10-15-37-42)38-27-17-23(48-4)13-14-25(27)29/h8,10-11,13-17,19,22,24,26,28H,5-7,9,12,18,20-21H2,1-4H3,(H,39,47)(H,40,43)(H,45,46)/b11-8-/t22-,24-,26?,28+,36-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)Br)O)OC)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)(O)O
InChI: InChI=1S/C39H31BBrClN2O8/c1-52-31-16-20(15-30(41)34(31)45)33-26-13-14-27-32(37(48)43(35(27)46)24-11-5-9-22(17-24)40(50)51)28(26)19-29-36(47)44(25-12-6-10-23(42)18-25)38(49)39(29,33)21-7-3-2-4-8-21/h2-13,15-18,27-29,32-33,45,50-51H,14,19H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: C[C@H]1[C@@H](N1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)OC
InChI: InChI=1S/C14H19NO4S/c1-8-6-9(2)13(10(3)7-8)20(17,18)15-11(4)12(15)14(16)19-5/h6-7,11-12H,1-5H3/t11-,12+,15?/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)CC=C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H18ClNO/c1-3-4-17-18(14-7-9-15(20)10-8-14)21(19(17)22)16-11-5-13(2)6-12-16/h3,5-12,17-18H,1,4H2,2H3/t17-,18+/m0/s1
SMILES: C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3COCCN3O2)C4=CC=CC=C4
InChI: InChI=1S/C18H24N2O3/c21-18(19-9-5-2-6-10-19)17-16(14-7-3-1-4-8-14)15-13-22-12-11-20(15)23-17/h1,3-4,7-8,15-17H,2,5-6,9-13H2/t15-,16-,17-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)O
InChI: InChI=1S/C27H25NO8/c1-32-21-6-13(7-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)28-14-4-3-5-15(29)8-14/h3-10,18,23-25,28-30H,11-12H2,1-2H3/t18-,23+,24-,25?/m0/s1
SMILES: CC(C)[C@@H]1CC[C@@]2([C@H]1[C@]3(CC=C4[C@H]([C@@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
InChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(20)27/h12,19-20,22-25,31H,9-11,13-18H2,1-8H3/t20-,22+,23-,24-,25-,27-,28+,29-,30+/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CC(=C)C[C@H]1C(=O)O)N
InChI: InChI=1S/C19H33N3O4/c1-6-11(4)15(20)17(23)22-16(12(5)7-2)18(24)21-14-9-10(3)8-13(14)19(25)26/h11-16H,3,6-9,20H2,1-2,4-5H3,(H,21,24)(H,22,23)(H,25,26)/t11-,12-,13+,14-,15-,16-/m0/s1
SMILES: C[C@@]1(CCC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@]4([C@H]3CC5=C(O4)C=CC(=C5)O)C)C)CO)CO
InChI: InChI=1S/C26H38O4/c1-23(15-27)9-4-10-26(16-28)20(23)7-11-24(2)21(26)8-12-25(3)22(24)14-17-13-18(29)5-6-19(17)30-25/h5-6,13,20-22,27-29H,4,7-12,14-16H2,1-3H3/t20-,21-,22-,23+,24+,25-,26+/m0/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC(=O)N(CCCC[C@H](NC1=O)C(=O)OC)C)C(=O)NOCC2=CC=CC=C2
InChI: InChI=1S/C27H41N3O7/c1-19(2)17-22-21(25(32)29-37-18-20-11-6-5-7-12-20)13-10-16-36-27(34)30(3)15-9-8-14-23(26(33)35-4)28-24(22)31/h5-7,11-12,19,21-23H,8-10,13-18H2,1-4H3,(H,28,31)(H,29,32)/t21-,22+,23-/m0/s1
SMILES: C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)OCC2=CC=CC=C2)C([C@H](CO)OS(=O)(=O)O)O)O)O
InChI: InChI=1S/C16H22O12S/c17-7-11(28-29(23,24)25)13(20)14-12(19)10(18)6-16(27-14,15(21)22)26-8-9-4-2-1-3-5-9/h1-5,10-14,17-20H,6-8H2,(H,21,22)(H,23,24,25)/t10-,11+,12-,13?,14+,16-/m1/s1
SMILES: C[C@@H]1CC=C[C@@H]([C@H]1C=O)N(CCC2=C(NC3=CC=CC=C32)CC(=O)OC)CC4=CC=CC=C4
InChI: InChI=1S/C28H32N2O3/c1-20-9-8-14-27(24(20)19-31)30(18-21-10-4-3-5-11-21)16-15-23-22-12-6-7-13-25(22)29-26(23)17-28(32)33-2/h3-8,10-14,19-20,24,27,29H,9,15-18H2,1-2H3/t20-,24+,27+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=NC=CN=C4)C)[C@H](C)C(=O)NCCOC)O
InChI: InChI=1S/C24H33N5O4S/c1-13(21(31)27-9-10-33-4)15-5-6-24(3)11-17-19(14(2)18(24)20(15)30)28-23(34-17)29-22(32)16-12-25-7-8-26-16/h7-8,12-15,18,20,30H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,29,32)/t13-,14-,15+,18+,20-,24-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=CC5CCC6C(C5)O6)OC(O3)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C54H60N2O10/c1-53(2,3)65-48(58)28-26-42(34-57)55-50(59)43(30-35-15-8-5-9-16-35)56(4)51(60)39-32-46(63-52(61)38-18-14-17-36(29-38)23-24-37-25-27-44-45(31-37)62-44)49-47(33-39)64-54(66-49,40-19-10-6-11-20-40)41-21-12-7-13-22-41/h5-24,29,33,37,42-47,49,57H,25-28,30-32,34H2,1-4H3,(H,55,59)/t37?,42-,43+,44?,45?,46+,47+,49-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@H](CO[C@H](CO2)[C@@H](C3=CC(=C(C=C3)O)OC)O)[C@@H]4CO[C@@H](CO[C@@H]4C5=CC(=C(C(=C5)OC)O)OC)[C@@H](C6=CC(=C(C=C6)O)OC)O
InChI: InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35-,36+,37-,38-,41+,42-/m1/s1
SMILES: C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO
InChI: InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19+/m1/s1
SMILES: C[C@@H]1CC2=C(C=CC(=C2)O)C3C1C4CC[C@@H]([C@]4(C[C@@H]3OC)C)O
InChI: InChI=1S/C20H28O3/c1-11-8-12-9-13(21)4-5-14(12)19-16(23-3)10-20(2)15(18(11)19)6-7-17(20)22/h4-5,9,11,15-19,21-22H,6-8,10H2,1-3H3/t11-,15?,16+,17+,18?,19?,20+/m1/s1
SMILES: COC1=CC(=C(C=C1/C=N\N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5)Br)OC
InChI: InChI=1S/C20H19BrN2O4/c1-26-14-8-15(27-2)13(21)7-10(14)9-22-23-18(24)16-11-3-4-12(17(16)19(23)25)20(11)5-6-20/h3-4,7-9,11-12,16-17H,5-6H2,1-2H3/b22-9-/t11-,12+,16-,17+
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC
InChI: InChI=1S/C22H30N4O4/c1-16-7-5-6-10-22(16)20(28)26(21(29)23-22)15-19(27)25-13-11-24(12-14-25)17-8-3-4-9-18(17)30-2/h3-4,8-9,16H,5-7,10-15H2,1-2H3,(H,23,29)/t16-,22+/m0/s1
SMILES: CC(C)[C@@H]1[C@H](N1S(=O)(=O)CC[Si](C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C16H27NO2SSi/c1-13(2)15-16(14-9-7-6-8-10-14)17(15)20(18,19)11-12-21(3,4)5/h6-10,13,15-16H,11-12H2,1-5H3/t15-,16-,17?/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C53H63N3O10/c1-6-29-55(51(59)64-41-25-21-39(22-26-41)56(60)61)48-35-46(54-66-52(3,4)5)44-33-38(17-11-13-30-57)43(18-12-14-31-58)49-45-34-42(27-28-47(45)65-53(48,50(44)49)62-32-7-2)63-40-23-19-37(20-24-40)36-15-9-8-10-16-36/h7-10,15-16,19-28,33-34,38,43,48-50,57-58H,2,6,11-14,17-18,29-32,35H2,1,3-5H3/t38-,43+,48-,49+,50+,53+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@@H]([C@@H]2CC4=CNC5=CC=CC=C54)N(OC36CC6)C
InChI: InChI=1S/C24H27N3O3S/c1-16-7-9-18(10-8-16)31(28,29)27-15-20-23(26(2)30-24(20)11-12-24)22(27)13-17-14-25-21-6-4-3-5-19(17)21/h3-10,14,20,22-23,25H,11-13,15H2,1-2H3/t20-,22-,23-/m0/s1
SMILES: C[C@@]12[C@@](C3(CCCC3)C(=O)O1)(OC(=O)C24CCCC4)C5=CC=CC=C5
InChI: InChI=1S/C21H24O4/c1-18-19(11-5-6-12-19)16(22)25-21(18,15-9-3-2-4-10-15)20(17(23)24-18)13-7-8-14-20/h2-4,9-10H,5-8,11-14H2,1H3/t18-,21+/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5[C@H]([C@H](CC3C2CC6=C4C(=C(C=C6)O)O5)C7=CC(=CC=C7)[N+](=O)[O-])O
InChI: InChI=1S/C26H28N2O5/c29-21-7-6-16-11-20-19-12-18(15-2-1-3-17(10-15)28(31)32)23(30)25-26(19,22(16)24(21)33-25)8-9-27(20)13-14-4-5-14/h1-3,6-7,10,14,18-20,23,25,29-30H,4-5,8-9,11-13H2/t18-,19?,20?,23+,25+,26+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CC2=CC=CC=C2)[C@@H](C)Cl)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H32ClNO2Si/c1-14(21)18-17(15(2)24-25(6,7)20(3,4)5)19(23)22(18)13-16-11-9-8-10-12-16/h8-12,14-15,17-18H,13H2,1-7H3/t14-,15-,17-,18-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC[C@@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N
InChI: InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8+,9-,10-,11-,12+,13-,14-,15-,16+,17-,18+,19-,20+,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=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C44H45ClN2O5/c1-30-40(28-47-23-21-44(50,22-24-47)38-17-19-39(45)20-18-38)51-43(52-41(30)33-15-13-31(29-48)14-16-33)37-12-6-11-36(26-37)35-10-5-7-32(25-35)27-46-42(49)34-8-3-2-4-9-34/h2-20,25-26,30,40-41,43,48,50H,21-24,27-29H2,1H3,(H,46,49)/t30-,40+,41+,43+/m1/s1
SMILES: CCCCC[C@@H](C=C[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)CC=CCCCC(=O)O)O
InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/t15-,16+,17+,18-,20+/m0/s1
SMILES: CC(C)[C@H]1CC[C@@]([C@H]2[C@@H]1[C@@H]3[C@](CCC[C@@](C[C@H]2O3)(C)O)(C)O)(C)O
InChI: InChI=1S/C20H36O4/c1-12(2)13-7-10-19(4,22)16-14-11-18(3,21)8-6-9-20(5,23)17(24-14)15(13)16/h12-17,21-23H,6-11H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-/m1/s1
SMILES: C/C=C/1\[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H]5[C@@H]4OC(O5)(C)C)C)C)O
InChI: InChI=1S/C24H36O3/c1-6-15-19(25)13-18-14-7-8-17-21-20(26-22(2,3)27-21)10-12-24(17,5)16(14)9-11-23(15,18)4/h6,8,14,16,18-21,25H,7,9-13H2,1-5H3/b15-6+/t14-,16+,18+,19-,20+,21-,23-,24-/m1/s1
SMILES: C[C@]12CCCC(C1=C[C@@H]3[C@H]2[C@H](C(=O)O3)C4=CC=CC=C4)(C)C
InChI: InChI=1S/C20H24O2/c1-19(2)10-7-11-20(3)15(19)12-14-17(20)16(18(21)22-14)13-8-5-4-6-9-13/h4-6,8-9,12,14,16-17H,7,10-11H2,1-3H3/t14-,16-,17+,20+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C41H54N2O10/c1-28(44)42-34-36(49-25-31-21-15-10-16-22-31)35(48-24-30-19-13-9-14-20-30)33(27-47-23-29-17-11-8-12-18-29)51-38(34)50-26-32(37(45)52-40(2,3)4)43-39(46)53-41(5,6)7/h8-22,32-36,38H,23-27H2,1-7H3,(H,42,44)(H,43,46)/t32-,33+,34+,35-,36+,38-/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CSCCO
InChI: InChI=1S/C33H40N2O7S/c1-3-40-30(38)19-35-33(39)34-18-27-6-4-5-7-28(27)24-12-14-26(15-13-24)32-41-29(21-43-17-16-36)22(2)31(42-32)25-10-8-23(20-37)9-11-25/h4-15,22,29,31-32,36-37H,3,16-21H2,1-2H3,(H2,34,35,39)/t22-,29+,31+,32+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C21H23N3O5S2/c1-4-29-20(28)14-9(2)10(3)31-17(14)23-21(30)22-13(25)8-24-18(26)15-11-5-6-12(7-11)16(15)19(24)27/h5-6,11-12,15-16H,4,7-8H2,1-3H3,(H2,22,23,25,30)/t11-,12+,15-,16+
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6+,7+,9-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)SC2=CC=CC=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H33NO4S/c1-24-29(34-21-25-13-5-2-6-14-25)30(35-22-26-15-7-3-8-16-26)31(36-23-27-17-9-4-10-18-27)32(37-24)38-28-19-11-12-20-33-28/h2-20,24,29-32H,21-23H2,1H3/t24-,29+,30+,31-,32+/m0/s1
SMILES: CCCCC[C@]12[C@@H]3CC[C@H]1OC(=O)C(=C2C3)C4=CC=CC=C4
InChI: InChI=1S/C20H24O2/c1-2-3-7-12-20-15-10-11-17(20)22-19(21)18(16(20)13-15)14-8-5-4-6-9-14/h4-6,8-9,15,17H,2-3,7,10-13H2,1H3/t15-,17-,20-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@]1(C[C@@]23C(=O)NC4=NC5=C(S4)C=C(C=C5)OC)C
InChI: InChI=1S/C18H20N2O2S/c1-16-9-18(13(16)6-7-17(16,18)2)14(21)20-15-19-11-5-4-10(22-3)8-12(11)23-15/h4-5,8,13H,6-7,9H2,1-3H3,(H,19,20,21)/t13-,16-,17+,18+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)OC
InChI: InChI=1S/C20H27ClN2O3/c1-12-5-4-6-17(13(12)2)23-11-14(9-19(23)24)20(25)22-16-10-15(21)7-8-18(16)26-3/h7-8,10,12-14,17H,4-6,9,11H2,1-3H3,(H,22,25)/t12-,13-,14-,17+/m1/s1
SMILES: COC1=CC=CC(=C1)CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO)C(=O)C4=CC5=CC=CC=C5OC4=O
InChI: InChI=1S/C36H35IN2O10/c1-46-25-8-5-6-21(14-25)10-12-39(35(44)26-17-23-7-3-4-9-29(23)49-36(26)45)28-18-24(34(43)38-11-13-40)19-30(32(28)42)48-33-27(37)15-22(20-41)16-31(33)47-2/h3-9,14-17,19-20,28,30,32,40,42H,10-13,18H2,1-2H3,(H,38,43)/t28-,30+,32+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C21H29ClN2O4/c1-13(2)19(24-20(26)15-9-5-6-10-16(15)22)21(27)28-12-18(25)23-17-11-7-4-8-14(17)3/h5-6,9-10,13-14,17,19H,4,7-8,11-12H2,1-3H3,(H,23,25)(H,24,26)/t14-,17+,19-/m0/s1
SMILES: CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCC[C@H]3[C@@H]2CCCC3)O
InChI: InChI=1S/C19H25NO4/c1-13-8-9-15(17(21)11-13)19(23)24-12-18(22)20-10-4-6-14-5-2-3-7-16(14)20/h8-9,11,14,16,21H,2-7,10,12H2,1H3/t14-,16-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C)O
InChI: InChI=1S/C21H30O4/c1-12(22)14-6-9-21(25)16-11-18(24)17-10-13(23)4-7-19(17,2)15(16)5-8-20(14,21)3/h10,14-16,18,24-25H,4-9,11H2,1-3H3/t14-,15+,16-,18-,19-,20-,21-/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCCO)S(=O)(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C18H28N2O5S/c1-3-14-13-20(10-8-15(14)12-18(22)19-9-11-21)26(23,24)17-6-4-16(25-2)5-7-17/h4-7,14-15,21H,3,8-13H2,1-2H3,(H,19,22)/t14-,15-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN([C@H]1C2=CC=C(C=C2)OC)CC(=O)NCC(C)C)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C27H34N2O6/c1-5-33-27(31)25-21(19-8-11-22-23(12-19)35-16-34-22)14-29(15-24(30)28-13-17(2)3)26(25)18-6-9-20(32-4)10-7-18/h6-12,17,21,25-26H,5,13-16H2,1-4H3,(H,28,30)/t21-,25-,26+/m1/s1
SMILES: C1[C@H]([C@@H](CS1(=O)=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3
InChI: InChI=1S/C18H19N3O5S/c22-18(14-6-8-15(9-7-14)21(23)24)20-17-12-27(25,26)11-16(17)19-10-13-4-2-1-3-5-13/h1-9,16-17,19H,10-12H2,(H,20,22)/t16-,17-/m1/s1
SMILES: C\1[C@@H](NC(=C/C1=C\C=[N+]2[C@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/p+1/t12-,14-,17-,18-,19+,20-,24-/m1/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)[N+](=O)[O-])N(C)C)[N+](=O)[O-]
InChI: InChI=1S/C33H30N4O11/c1-14-8-23(39)27-20(31(14)40)13-19-17(28(27)29-24(47-4)11-16(38)12-25(29)48-5)6-7-18-26(19)33(42)35(32(18)41)15-9-21(36(43)44)30(34(2)3)22(10-15)37(45)46/h6,8-12,18-19,26,28,38H,7,13H2,1-5H3/t18-,19+,26-,28-/m0/s1
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3/t13-,14+,18-,20-,21+,22-,24+,25+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C(=O)O)/C=C/CSC4=NC(=NC(=C4)N)N
InChI: InChI=1S/C22H20Cl2N6O4S3/c23-11-3-4-12(24)13(6-11)36-9-15(31)28-17-19(32)30-18(21(33)34)10(8-37-20(17)30)2-1-5-35-16-7-14(25)27-22(26)29-16/h1-4,6-7,17,20H,5,8-9H2,(H,28,31)(H,33,34)(H4,25,26,27,29)/b2-1+/t17-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC7=CC=CC=C76
InChI: InChI=1S/C32H24N2O4/c1-38-22-15-13-21(14-16-22)30(35)29-27-26(28-24-11-5-3-8-20(24)17-18-33(28)29)31(36)34(32(27)37)25-12-6-9-19-7-2-4-10-23(19)25/h2-18,26-29H,1H3/t26-,27+,28+,29-/m0/s1
SMILES: CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C=O)C)C
InChI: InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/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(CC[C@@H](C4)OCCO)C)C
InChI: InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3/t21-,23-,24+,25-,26-,27+,28-,29+/m0/s1
SMILES: C[C@@H]1COC(=O)[C@H]([C@H]1C2=C(C(=C(C=C2)C)O)O)OC(=O)C
InChI: InChI=1S/C15H18O6/c1-7-4-5-10(13(18)12(7)17)11-8(2)6-20-15(19)14(11)21-9(3)16/h4-5,8,11,14,17-18H,6H2,1-3H3/t8-,11-,14+/m1/s1
SMILES: CC1C(=O)C(=C2[C@@]13CC[C@](C2(C)C)([C@@H](C3)OC(=O)C)C)C
InChI: InChI=1S/C18H26O3/c1-10-14(20)11(2)18-8-7-17(6,16(4,5)15(10)18)13(9-18)21-12(3)19/h11,13H,7-9H2,1-6H3/t11?,13-,17+,18-/m1/s1
SMILES: CCOC(=O)C[C@H]1C[C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C30H34O7/c1-4-35-29(32)19-26-18-27(31)28(37-26)20-36-30(21-8-6-5-7-9-21,22-10-14-24(33-2)15-11-22)23-12-16-25(34-3)17-13-23/h5-17,26-28,31H,4,18-20H2,1-3H3/t26-,27+,28-/m1/s1
SMILES: CC(C)(C)CC(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N)NC(=O)NCC=C
InChI: InChI=1S/C24H35N5O4/c1-5-12-26-23(33)28-17-11-13-29(19(30)15-24(2,3)4)20(17)22(32)27-18(21(25)31)14-16-9-7-6-8-10-16/h5-10,17-18,20H,1,11-15H2,2-4H3,(H2,25,31)(H,27,32)(H2,26,28,33)/t17-,18+,20-/m0/s1