EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@@H](O3)C5=CC(=CC=C5)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C26H14BrClFNO5/c27-13-5-3-4-12(10-13)21-19-20(25(34)30(24(19)33)14-8-9-18(29)17(28)11-14)26(35-21)22(31)15-6-1-2-7-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m1/s1
SMILES: CC([C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=CC3=CC=CC=C3C=C2)OC(C)(C)C)O)F
InChI: InChI=1S/C21H27FO3/c1-13(22)20-19(23)18(25-21(2,3)4)12-17(24-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17-20,23H,12H2,1-4H3/t13?,17-,18-,19+,20-/m1/s1
SMILES: COC1=CC2=C(C=CC=C2[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O)C=C1
InChI: InChI=1S/C21H25NO2/c1-3-14-13-22-10-9-16(14)11-20(22)21(23)18-6-4-5-15-7-8-17(24-2)12-19(15)18/h3-8,12,14,16,20-21,23H,1,9-11,13H2,2H3/t14-,16-,20+,21-/m0/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4C=CC5=CC=CC=C5N4[C@@H]([C@@H]3C2=O)C(=O)N6C7=CC=CC=C7N=N6
InChI: InChI=1S/C28H20N6O6/c1-40-22-13-11-16(34(38)39)14-21(22)32-26(35)23-20-12-10-15-6-2-4-8-18(15)31(20)25(24(23)27(32)36)28(37)33-19-9-5-3-7-17(19)29-30-33/h2-14,20,23-25H,1H3/t20-,23+,24-,25+/m1/s1
SMILES: CCOC(=O)[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CO3)C(=O)N(C2=O)C)C
InChI: InChI=1S/C15H18N2O5/c1-4-21-14(20)15(2)10-9(12(18)17(3)13(10)19)11(16-15)8-6-5-7-22-8/h5-7,9-11,16H,4H2,1-3H3/p+1/t9-,10-,11-,15-/m0/s1
SMILES: C[N@@+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C20H30NO4/c1-21-11-5-4-8-17(21)16(7-6-12-21)14-25-20(22)15-9-10-18(23-2)19(13-15)24-3/h9-10,13,16-17H,4-8,11-12,14H2,1-3H3/q+1/t16-,17+,21-/m0/s1
SMILES: C1CCCC(CC1)NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H28N2O5/c22-16(20-13-7-3-1-2-4-8-13)12-26-17(23)11-21-18(24)14-9-5-6-10-15(14)19(21)25/h13-15H,1-12H2,(H,20,22)/t14-,15-/m0/s1
SMILES: C/C(=C\C(=O)OC)/CC[C@H]1[C@](O1)(C)CC[C@H]2C(O2)(C)C
InChI: InChI=1S/C16H26O4/c1-11(10-14(17)18-5)6-7-13-16(4,20-13)9-8-12-15(2,3)19-12/h10,12-13H,6-9H2,1-5H3/b11-10+/t12-,13-,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)F)N=[N+]=[N-])OCC2=CC=CC=C2)OCC=C
InChI: InChI=1S/C18H22FN3O5/c1-3-9-24-16-14(11-25-12(2)23)27-18(19)15(21-22-20)17(16)26-10-13-7-5-4-6-8-13/h3-8,14-18H,1,9-11H2,2H3/t14-,15-,16-,17-,18-/m1/s1
SMILES: CC(=C[C@H]1[C@@H](C1(C)C)C(=O)NC2=CC=C(C=C2)OCC(=O)N)C
InChI: InChI=1S/C18H24N2O3/c1-11(2)9-14-16(18(14,3)4)17(22)20-12-5-7-13(8-6-12)23-10-15(19)21/h5-9,14,16H,10H2,1-4H3,(H2,19,21)(H,20,22)/t14-,16+/m0/s1
SMILES: CCC(=O)C(=C)[C@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(C)C
InChI: InChI=1S/C23H34O12/c1-9-17(28)12(4)22(30-11(2)3)35-23-21(33-16(8)27)20(32-15(7)26)19(31-14(6)25)18(34-23)10-29-13(5)24/h11,18-23H,4,9-10H2,1-3,5-8H3/t18-,19-,20+,21-,22+,23+/m1/s1
SMILES: CCCC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5CC6=C[C@H]([C@H]([C@@H](C6=O)O)O)O)C
InChI: InChI=1S/C31H31N7O4/c1-3-6-25-33-26-18(2)13-14-32-31(26)37(25)16-19-9-11-20(12-10-19)22-7-4-5-8-23(22)30-34-35-36-38(30)17-21-15-24(39)28(41)29(42)27(21)40/h4-5,7-15,24,28-29,39,41-42H,3,6,16-17H2,1-2H3/t24-,28-,29-/m1/s1
SMILES: C[C@@H]1[C@H](N([C@@H](CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C19H21NO/c1-14-18(21)13-17(15-9-5-3-6-10-15)20(2)19(14)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3/t14-,17-,19-/m0/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=C(C=C3)OC)OC)CCCC
InChI: InChI=1S/C28H41NO5S/c1-7-9-15-28(16-10-8-2)19-35(31,32)25-14-12-21(29(3)4)18-22(25)26(27(28)30)20-11-13-23(33-5)24(17-20)34-6/h11-14,17-18,26-27,30H,7-10,15-16,19H2,1-6H3/t26-,27-/m1/s1
SMILES: CC[N+]1(CC2(CCC([C@@]34C2C(C(C31)[C@]5(CC([C@H]6CC4C5[C@H]6OC(=O)C)OC)OC(=O)C)OC)O)COC)[O-]
InChI: InChI=1S/C28H43NO9/c1-7-29(33)12-26(13-34-4)9-8-19(32)28-17-10-16-18(35-5)11-27(38-15(3)31,20(17)22(16)37-14(2)30)21(25(28)29)23(36-6)24(26)28/h16-25,32H,7-13H2,1-6H3/t16-,17?,18?,19?,20?,21?,22+,23?,24?,25?,26?,27-,28+,29?/m1/s1
SMILES: CCCN([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=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C51H59N3O10/c1-4-28-53(50(57)63-40-24-20-38(21-25-40)54(58)59)47-34-45(52-61-6-3)43-32-37(16-10-12-29-55)42(17-11-13-30-56)48-44-33-41(26-27-46(44)64-51(47,49(43)48)60-31-5-2)62-39-22-18-36(19-23-39)35-14-8-7-9-15-35/h5,7-9,14-15,18-27,32-33,37,42,47-49,55-56H,2,4,6,10-13,16-17,28-31,34H2,1,3H3/t37-,42+,47-,48+,49+,51+/m0/s1
SMILES: C1CN2CCC1[C@H]([C@H]2[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)19-20(23)16-10-12-22(19)13-11-16/h1-9,16,18-20,23H,10-13H2/t18-,19-,20-/m1/s1
SMILES: CCOC(=O)C[N+]12CCC3=CC(=C(C=C3[C@H]1[C@@H](C2)CCl)OC)OC
InChI: InChI=1S/C18H25ClNO4/c1-4-24-17(21)11-20-6-5-12-7-15(22-2)16(23-3)8-14(12)18(20)13(9-19)10-20/h7-8,13,18H,4-6,9-11H2,1-3H3/q+1/t13-,18-,20?/m1/s1
SMILES: C[C@]12CC[C@H]\3[C@@H](COC(=O)/C3=C/CC=C=C)C(=C)CC[C@@H]1O2
InChI: InChI=1S/C19H24O3/c1-4-5-6-7-15-14-10-11-19(3)17(22-19)9-8-13(2)16(14)12-21-18(15)20/h5,7,14,16-17H,1-2,6,8-12H2,3H3/b15-7+/t14-,16+,17+,19+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC=C5OCCO)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C37H34ClFN2O7/c1-37-27(34(45)41(36(37)47)21-8-13-29(39)28(38)18-21)19-26-23(32(37)24-4-2-3-5-30(24)48-17-16-42)11-12-25-31(26)35(46)40(33(25)44)15-14-20-6-9-22(43)10-7-20/h2-11,13,18,25-27,31-32,42-43H,12,14-17,19H2,1H3/t25-,26+,27-,31-,32+,37+/m0/s1
SMILES: CCCCCN1C(=O)C(=C[N+]2=C1O[C@@H]3C[C@H]2O[C@@H]3CO[Si](C)(C)C(C)(C)C(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C23H41N2O4Si.CHF3O3S/c1-9-10-11-12-24-21(26)17(4)14-25-20-13-18(29-22(24)25)19(28-20)15-27-30(7,8)23(5,6)16(2)3;2-1(3,4)8(5,6)7/h14,16,18-20H,9-13,15H2,1-8H3;(H,5,6,7)/q+1;/p-1/t18-,19-,20-;/m1./s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C6=NC=NC(=C6N=C5NCCCNS(=O)(=O)C7=CC=C(C=C7)N=NC8=CC=C(C=C8)N(C)C)NC(=O)C9=CC=CC=C9
InChI: InChI=1S/C64H73N12O9PS/c1-44(2)76(45(3)4)86(83-40-15-37-65)85-56-41-58(84-57(56)42-82-64(47-19-13-10-14-20-47,48-21-31-53(80-7)32-22-48)49-23-33-54(81-8)34-24-49)75-61-59(60(67-43-68-61)71-62(77)46-17-11-9-12-18-46)70-63(75)66-38-16-39-69-87(78,79)55-35-27-51(28-36-55)73-72-50-25-29-52(30-26-50)74(5)6/h9-14,17-36,43-45,56-58,69H,15-16,38-42H2,1-8H3,(H,66,70)(H,67,68,71,77)/t56-,57+,58+,86?/m0/s1
SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.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)CN)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N
InChI: InChI=1S/C18H36N4O11.4C2H4O2/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;4*1-2(3)4/h4-18,23-29H,1-3,19-22H2;4*1H3,(H,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17+,18-;;;;/m1..../s1
SMILES: CC(C)(C)CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCC(C)(C)C)CC2=CC=CC=C2)OCOCC[Si](C)(C)C)OCOCC[Si](C)(C)C)CC3=CC=CC=C3
InChI: InChI=1S/C43H74N2O5Si2/c1-42(2,3)23-25-44-37(31-35-19-15-13-16-20-35)39(49-33-47-27-29-51(7,8)9)40(50-34-48-28-30-52(10,11)12)38(32-36-21-17-14-18-22-36)45(41(44)46)26-24-43(4,5)6/h13-22,37-40H,23-34H2,1-12H3/t37-,38-,39+,40+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C
InChI: InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20-,21+,22+,23+,24-/m1/s1
SMILES: CCC(=O)[C@@H]1C[C@@H](C(=C[C@@H]1C)O[Si](C(C)C)(C(C)C)C(C)C)CCOC(=O)C2=CC=CC=C2
InChI: InChI=1S/C28H44O4Si/c1-9-26(29)25-18-24(15-16-31-28(30)23-13-11-10-12-14-23)27(17-22(25)8)32-33(19(2)3,20(4)5)21(6)7/h10-14,17,19-22,24-25H,9,15-16,18H2,1-8H3/t22-,24-,25+/m0/s1
SMILES: C1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C8H15N4O14P3/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(24-6)1-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-6,13-14H,1H2,(H,19,20)(H,21,22)(H2,9,11,15)(H2,16,17,18)/t3-,4-,5+,6-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C18H24N2O4/c1-12-6-4-5-9-18(12)16(21)20(17(22)19-18)11-13-10-14(23-2)7-8-15(13)24-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,22)/t12-,18+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4
InChI: InChI=1S/C27H25N5O/c1-2-33-21-10-8-20(9-11-21)25-24-16-32(15-19-6-4-3-5-7-19)13-12-22(24)23(14-28)26(31)27(25,17-29)18-30/h3-12,24-25H,2,13,15-16,31H2,1H3/t24-,25-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C25H33ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/p+1/t20-,21-,22+,23-,25-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H27ClN4OS/c1-4-13-26-19(16-9-11-17(22)12-10-16)24-25-21(26)28-15(3)20(27)23-18-8-6-5-7-14(18)2/h4,9-12,14-15,18H,1,5-8,13H2,2-3H3,(H,23,27)/t14-,15+,18-/m0/s1
SMILES: C[C@]12CO[C@H](O[C@H]1CC[C@@H]2OC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI: InChI=1S/C21H21BrO4/c1-21-13-24-20(15-5-3-2-4-6-15)26-18(21)12-11-17(21)25-19(23)14-7-9-16(22)10-8-14/h2-10,17-18,20H,11-13H2,1H3/t17-,18-,20+,21+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2C3=CC=C(C=C3)CO)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C44H35N3O10/c48-26-28-21-23-29(24-22-28)34-25-47(44(53)46-38(34)45-39(49)30-13-5-1-6-14-30)40-37(57-43(52)33-19-11-4-12-20-33)36(56-42(51)32-17-9-3-10-18-32)35(55-40)27-54-41(50)31-15-7-2-8-16-31/h1-25,35-37,40,48H,26-27H2,(H,45,46,49,53)/t35-,36-,37-,40-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C=C7)OC)O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl
InChI: InChI=1S/C41H30Cl2F5N5O6/c1-51(2)21-9-5-19(6-10-21)49-50-20-7-11-22(12-8-20)52-36(55)24-14-13-23-25(28(24)37(52)56)17-40(42)38(57)53(35-33(47)31(45)30(44)32(46)34(35)48)39(58)41(40,43)29(23)18-4-15-27(59-3)26(54)16-18/h4-13,15-16,24-25,28-29,54H,14,17H2,1-3H3/t24-,25+,28-,29-,40+,41-/m0/s1
SMILES: CC1=CC(=CC=C1)C2=CC(=C(S2)C(=O)NC(C)(C)C)[C@@H]3[C@H](CCC4=CC(=C(C=C34)OC)OC)[N+](=O)[O-]
InChI: InChI=1S/C28H32N2O5S/c1-16-8-7-9-18(12-16)24-15-20(26(36-24)27(31)29-28(2,3)4)25-19-14-23(35-6)22(34-5)13-17(19)10-11-21(25)30(32)33/h7-9,12-15,21,25H,10-11H2,1-6H3,(H,29,31)/t21-,25+/m0/s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@H]3C(=O)CC(C=C3NC4=NC=NN24)(C)C
InChI: InChI=1S/C20H24N4O2/c1-4-9-26-16-8-6-5-7-13(16)18-17-14(10-20(2,3)11-15(17)25)23-19-21-12-22-24(18)19/h5-8,10,12,17-18H,4,9,11H2,1-3H3,(H,21,22,23)/t17-,18-/m1/s1
SMILES: COC1=CC=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CCl
InChI: InChI=1S/C14H15ClN2O4S2/c1-21-10-4-2-3-9(5-10)17-11-7-23(19,20)8-12(11)22-14(17)16-13(18)6-15/h2-5,11-12H,6-8H2,1H3/t11-,12+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O
InChI: InChI=1S/C18H21ClN2O3/c19-13-7-8-15-16(10-13)24-18(23)21(15)11-17(22)20-9-3-5-12-4-1-2-6-14(12)20/h7-8,10,12,14H,1-6,9,11H2/t12-,14-/m0/s1
SMILES: CC1CCC2(CC1)[C@]3([C@@]2(C4([NH+]=C3N)OCCO4)C#N)C#N
InChI: InChI=1S/C15H18N4O2/c1-10-2-4-12(5-3-10)13(8-16)11(18)19-15(14(12,13)9-17)20-6-7-21-15/h10H,2-7H2,1H3,(H2,18,19)/p+1/t10?,12?,13-,14+/m0/s1
SMILES: C/C=C(\C)/C(=O)OC/C(=C\CO)/C(=O)O[C@@H]1CC(=C)[C@@H]2CC(=O)[C@H]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)C
InChI: InChI=1S/C25H30O8/c1-6-12(2)23(28)31-11-16(7-8-26)25(30)32-19-9-13(3)17-10-18(27)14(4)20(17)22-21(19)15(5)24(29)33-22/h6-7,14,17,19-22,26H,3,5,8-11H2,1-2,4H3/b12-6+,16-7+/t14-,17+,19-,20+,21-,22-/m1/s1
SMILES: CC1=CC(=C(C=C1)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C(F)(F)F)C
InChI: InChI=1S/C21H20F3N3O2/c1-11-8-9-14(12(2)10-11)18-17(13(3)25-20(29)27-18)19(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-10,17-18H,3H2,1-2H3,(H,26,28)(H2,25,27,29)/t17-,18-/m0/s1
SMILES: CC[C@@H]1C(=C(NC(=O)N1)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(=O)OCC
InChI: InChI=1S/C20H25N3O7/c1-3-13-16(19(27)29-4-2)14(22-20(28)21-13)10-30-15(24)9-23-17(25)11-7-5-6-8-12(11)18(23)26/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,21,22,28)/t11-,12-,13+/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2C=CC1CO)(CC[C@H](C3(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C25H46O2Si/c1-17-18(16-26)10-12-20-19(17)11-13-21-24(5,6)22(14-15-25(20,21)7)27-28(8,9)23(2,3)4/h10,12,17-22,26H,11,13-16H2,1-9H3/t17-,18?,19-,20-,21-,22-,25+/m1/s1
SMILES: C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC/C(=C/CC1)/C)CC(=O)O2)/C
InChI: InChI=1S/C19H28O2/c1-14-6-4-8-15(2)10-11-17-13-19(20)21-18(17)12-16(3)9-5-7-14/h7-8,12,17-18H,4-6,9-11,13H2,1-3H3/b14-7+,15-8+,16-12+/t17-,18+/m0/s1
SMILES: COC1=C(C=CC(=C1)CCCO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: C1CN([C@H]([C@H](N1)C(=O)O)C(=O)O)CC2=CC3=C(C=C2)C4=CC=CC=C4C=C3
InChI: InChI=1S/C21H20N2O4/c24-20(25)18-19(21(26)27)23(10-9-22-18)12-13-5-8-17-15(11-13)7-6-14-3-1-2-4-16(14)17/h1-8,11,18-19,22H,9-10,12H2,(H,24,25)(H,26,27)/t18-,19+/m0/s1
SMILES: CCCCN1CC[C@H]([C@H](C1)COC2=CC=C(C=C2)C#N)C3=CC=CC=C3
InChI: InChI=1S/C23H28N2O/c1-2-3-14-25-15-13-23(20-7-5-4-6-8-20)21(17-25)18-26-22-11-9-19(16-24)10-12-22/h4-12,21,23H,2-3,13-15,17-18H2,1H3/t21-,23+/m1/s1
SMILES: CCC[C@@H]1C[C@@]1(CCC)[C@H](C2=CC=C(C=C2)C(=O)OC)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C30H36NO3P/c1-4-12-25-22-30(25,21-5-2)28(23-17-19-24(20-18-23)29(32)34-3)31-35(33,26-13-8-6-9-14-26)27-15-10-7-11-16-27/h6-11,13-20,25,28H,4-5,12,21-22H2,1-3H3,(H,31,33)/t25-,28+,30-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1OC)N4CCOCC4
InChI: InChI=1S/C19H27NO6/c1-21-17-15(20-8-10-23-11-9-20)16-14(25-19(17)22-2)12-24-18(26-16)13-6-4-3-5-7-13/h3-7,14-19H,8-12H2,1-2H3/t14-,15-,16-,17+,18-,19-/m1/s1
SMILES: CC(C)(C[C@H]1[C@]2(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)SC6=CC=CC=C6
InChI: InChI=1S/C28H31N3O4S/c1-27(2,36-18-8-5-4-6-9-18)16-23-28(19-12-11-17(35-3)14-20(19)29-26(28)34)15-22-24(32)30-13-7-10-21(30)25(33)31(22)23/h4-6,8-9,11-12,14,21-23H,7,10,13,15-16H2,1-3H3,(H,29,34)/t21-,22-,23-,28-/m0/s1
SMILES: CC1(O[C@@H]2CC[C@H](C3[C@@]2(O1)[C@H](CCC3)CCC=C)C=C)C
InChI: InChI=1S/C19H30O2/c1-5-7-9-15-10-8-11-16-14(6-2)12-13-17-19(15,16)21-18(3,4)20-17/h5-6,14-17H,1-2,7-13H2,3-4H3/t14-,15+,16?,17-,19+/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)O[C@]1(C)CC/C=C(\C)/CCC=C(C)C)C(=O)C2=C(C=C(C=C2)O)O
InChI: InChI=1S/C24H32O5/c1-15(2)8-6-9-16(3)10-7-13-24(5)17(4)21(23(28)29-24)22(27)19-12-11-18(25)14-20(19)26/h8,10-12,14,17,21,25-26H,6-7,9,13H2,1-5H3/b16-10+/t17-,21+,24-/m1/s1
SMILES: CC1(O[C@@H]2CO[C@]3(CN(C(=O)O3)C4=CC=CC(=C4)CC5=CC=CC=C5)C(=O)[C@@H]2O1)C
InChI: InChI=1S/C23H23NO6/c1-22(2)28-18-13-27-23(20(25)19(18)29-22)14-24(21(26)30-23)17-10-6-9-16(12-17)11-15-7-4-3-5-8-15/h3-10,12,18-19H,11,13-14H2,1-2H3/t18-,19-,23+/m1/s1
SMILES: C/C(=N\O)/[C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C23H37NO4/c1-14(24-27)18-9-12-23(26)20-6-5-16-13-17(28-15(2)25)7-10-21(16,3)19(20)8-11-22(18,23)4/h16-20,26-27H,5-13H2,1-4H3/b24-14+/t16-,17+,18-,19+,20-,21+,22-,23+/m1/s1
SMILES: CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3C[C@@H]([C@@H](C3)N)C)C(C)(C)C
InChI: InChI=1S/C20H27FN4O3/c1-6-28-19(27)13-9-25(20(3,4)5)17-12(16(13)26)7-14(21)18(23-17)24-8-11(2)15(22)10-24/h7,9,11,15H,6,8,10,22H2,1-5H3/t11-,15+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)NC(=O)C(C)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C18H27N3O5S/c1-7(2)16(23)20-11-5-10(6-19-11)27-15-8(3)13-12(9(4)22)17(24)21(13)14(15)18(25)26/h7-13,19,22H,5-6H2,1-4H3,(H,20,23)(H,25,26)/t8-,9-,10+,11-,12-,13-/m1/s1
SMILES: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C)O)O
InChI: InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15-,17+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C33H24Cl3FN2O6/c1-45-25-14-16(2-13-24(25)40)27-21-11-12-22-26(29(42)38(28(22)41)19-7-3-17(34)4-8-19)23(21)15-32(35)30(43)39(31(44)33(27,32)36)20-9-5-18(37)6-10-20/h2-11,13-14,22-23,26-27,40H,12,15H2,1H3/t22-,23+,26-,27-,32+,33-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H](O1)C2=CC=CC=C2C(=O)C3=CC=CC=C3)O)O
InChI: InChI=1S/C17H16O4/c18-14-10-21-17(16(14)20)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9,14,16-18,20H,10H2/t14-,16-,17+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H17ClN2O3/c18-12-7-5-11(6-8-12)9-19-15(21)10-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-2,5-8,13-14H,3-4,9-10H2,(H,19,21)/t13-,14+
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=CC=CC=C4Br)O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C25H29BrO2/c1-24-12-10-20-19-9-7-18(27)14-16(19)6-8-21(20)22(24)11-13-25(24,28)15-17-4-2-3-5-23(17)26/h2-5,7,9,14,20-22,27-28H,6,8,10-13,15H2,1H3/t20-,21-,22+,24+,25-/m1/s1
SMILES: CN1CC(C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C22H30N2O6/c1-24-8-11(10-29-22-21(28)20(27)19(26)17(9-25)30-22)5-14-13-3-2-4-15-18(13)12(7-23-15)6-16(14)24/h2-4,7,11,14,16-17,19-23,25-28H,5-6,8-10H2,1H3/t11?,14-,16-,17-,19-,20+,21-,22+/m1/s1
SMILES: C1COCCN1[C@H]2[C@H](C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C19H18BrClN2O2/c20-12-5-6-16-14(11-12)17(13-3-1-2-4-15(13)21)18(19(24)22-16)23-7-9-25-10-8-23/h1-6,11,17-18H,7-10H2,(H,22,24)/t17-,18-/m0/s1
SMILES: C1C[C@@H]2[C@H]([C@@H]3[C@@H]1C(=O)C[C@H]([C@H]3O)O)C(=O)N(C2=O)C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C18H17F2NO5/c19-7-1-4-11(10(20)5-7)21-17(25)9-3-2-8-12(22)6-13(23)16(24)14(8)15(9)18(21)26/h1,4-5,8-9,13-16,23-24H,2-3,6H2/t8-,9+,13+,14-,15+,16+/m0/s1
SMILES: C1CN([C@H]2[C@@H]1NC(=O)N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H19N3O4S/c23-18-17-16(20-19(24)21(18)13-14-7-3-1-4-8-14)11-12-22(17)27(25,26)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,24)/t16-,17+/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)S(=O)(=O)C6=CC=CC7=C6N=CC=C7)OCC=C
InChI: InChI=1S/C45H58N4O10S/c1-4-25-56-45-39(49(3)60(53,54)38-18-12-15-30-16-13-22-47-43(30)38)29-36(48-59-40-19-8-11-26-55-40)34-27-31(14-6-9-23-50)33(17-7-10-24-51)41(42(34)45)35-28-32(20-21-37(35)58-45)57-44(52)46-5-2/h4,12-13,15-16,18,20-22,27-28,31,33,39-42,50-51H,1,5-11,14,17,19,23-26,29H2,2-3H3,(H,46,52)/t31-,33+,39-,40?,41+,42+,45+/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)CNC(=O)NCC4=CC=CC=C4)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C42H45N3O4/c1-31-39(29-45(27-34-13-7-3-8-14-34)28-35-15-9-4-10-16-35)48-41(49-40(31)37-21-19-36(30-46)20-22-37)38-23-17-33(18-24-38)26-44-42(47)43-25-32-11-5-2-6-12-32/h2-24,31,39-41,46H,25-30H2,1H3,(H2,43,44,47)/t31-,39+,40+,41+/m0/s1
SMILES: [C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)OP(=O)(O2)O)O)O)O
InChI: InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C19H28N2O3/c1-12-17(19(23)24-3)13(2)20-18(12)16(22)11-21-10-6-8-14-7-4-5-9-15(14)21/h14-15,20H,4-11H2,1-3H3/p+1/t14-,15-/m0/s1
SMILES: C[C@H]1CC2=C([C@H]3[C@@]45CCN([C@@H]([C@@]4(C2)O)CC6=C5C(=C(C=C6)O)O3)C)N(C1=O)CC7=CC=CC=C7
InChI: InChI=1S/C28H30N2O4/c1-16-12-19-14-28(33)21-13-18-8-9-20(31)24-22(18)27(28,10-11-29(21)2)25(34-24)23(19)30(26(16)32)15-17-6-4-3-5-7-17/h3-9,16,21,25,31,33H,10-15H2,1-2H3/t16-,21+,25-,27-,28+/m0/s1
SMILES: CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)C(C)C)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C(C)C)O
InChI: InChI=1S/C50H80N6O12/c1-15-31(10)41-39(57)26-40(58)68-43(29(6)7)46(61)51-35(23-27(2)3)48(63)56-22-16-17-36(56)49(64)55(13)38(25-33-18-20-34(66-14)21-19-33)50(65)67-32(11)42(45(60)52-41)53-44(59)37(24-28(4)5)54(12)47(62)30(8)9/h18-21,27-32,35-39,41-43,57H,15-17,22-26H2,1-14H3,(H,51,61)(H,52,60)(H,53,59)/t31-,32+,35-,36-,37+,38-,39-,41+,42-,43-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC4CCC4)N3C
InChI: InChI=1S/C20H27NO2/c1-13-6-8-14(9-7-13)17-12-15-10-11-18(21(15)2)19(17)20(22)23-16-4-3-5-16/h6-9,15-19H,3-5,10-12H2,1-2H3/t15-,17+,18+,19-/m0/s1
SMILES: CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C46H63N3O10/c1-6-23-57-46-41(49(44(52)53-7-2)29-31-14-16-39-40(25-31)56-30-55-39)28-37(47-59-45(3,4)5)35-26-32(12-8-10-21-50)34(13-9-11-22-51)42(43(35)46)36-27-33(15-17-38(36)58-46)54-24-20-48-18-19-48/h6,14-17,25-27,32,34,41-43,50-51H,1,7-13,18-24,28-30H2,2-5H3/t32-,34+,41-,42+,43+,46+/m0/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=NC=C4
InChI: InChI=1S/C19H18N2O2/c1-23-19(22)16-7-3-6-15-13-4-2-5-14(13)17(21-18(15)16)12-8-10-20-11-9-12/h2-4,6-11,13-14,17,21H,5H2,1H3/t13-,14+,17+/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=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7
InChI: InChI=1S/C33H29ClN2O6/c1-17-14-27(38)30-25(31(17)39)16-23-21(28(30)24-15-18(34)2-9-26(24)37)7-8-22-29(23)33(41)36(32(22)40)20-5-3-19(4-6-20)35-10-12-42-13-11-35/h2-7,9,14-15,22-23,28-29,37H,8,10-13,16H2,1H3/t22-,23+,28+,29-/m0/s1
SMILES: CC1=C(C2([C@@H]3[C@@H](C1[C@@H]4[C@@H]2C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C(=O)N(C3=O)C6=CC(=CC=C6)Cl)C)C(=O)OC7=CC=CC=C7
InChI: InChI=1S/C33H24Cl2N2O6/c1-16-22-23-26(30(40)36(28(23)38)19-10-6-8-17(34)14-19)33(2,25(16)32(42)43-21-12-4-3-5-13-21)27-24(22)29(39)37(31(27)41)20-11-7-9-18(35)15-20/h3-15,22-24,26-27H,1-2H3/t22?,23-,24-,26-,27-,33?/m1/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=CC(=C5O)CC=C)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C37H31ClN2O7/c1-3-9-20-10-7-15-26(31(20)41)30-24-16-17-25-29(34(44)40(32(25)42)36(46)47-2)27(24)19-28-33(43)39(23-14-8-13-22(38)18-23)35(45)37(28,30)21-11-5-4-6-12-21/h3-8,10-16,18,25,27-30,41H,1,9,17,19H2,2H3/t25-,27+,28-,29-,30+,37+/m0/s1
SMILES: CC12C[C@H](C(O1)([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C)C(=O)OCC5=CC=NC=C5
InChI: InChI=1S/C25H20F3N3O5/c1-23-10-17(22(34)35-12-13-5-7-30-8-6-13)24(2,36-23)19-18(23)20(32)31(21(19)33)15-4-3-14(11-29)16(9-15)25(26,27)28/h3-9,17-19H,10,12H2,1-2H3/t17-,18+,19-,23?,24?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C[C@@H]2NC4=CC=C(C=C4)Br)NC5=CC=CC=C5)CCC6=C3C=CC(=C6)OC
InChI: InChI=1S/C32H37BrN2O/c1-32-17-16-28-27-15-13-26(36-2)18-21(27)8-14-29(28)30(32)19-25(34-23-6-4-3-5-7-23)20-31(32)35-24-11-9-22(33)10-12-24/h3-7,9-13,15,18,25,28-31,34-35H,8,14,16-17,19-20H2,1-2H3/t25-,28+,29+,30-,31-,32-/m0/s1
SMILES: C[C@@H]([C@@]1([C@H]([C@H]2[C@H](O1)CO[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)O)N3C=CC(=O)N(C3=O)COCC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C33H52N2O10Si2/c1-21(2)46(22(3)4)41-19-28-30(44-47(45-46,23(5)6)24(7)8)31(38)33(43-28,25(9)42-26(10)36)35-17-16-29(37)34(32(35)39)20-40-18-27-14-12-11-13-15-27/h11-17,21-25,28,30-31,38H,18-20H2,1-10H3/t25-,28+,30+,31-,33+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N
InChI: InChI=1S/C20H22N2O2/c1-3-12-24-19-11-7-5-9-16(19)13-17(14-21)20(23)22-18-10-6-4-8-15(18)2/h1,5,7,9,11,13,15,18H,4,6,8,10,12H2,2H3,(H,22,23)/b17-13+/t15-,18+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]5(C3O[C@]6([C@@]5(C7[C@@H]8C[C@H](C7C6)[C@]9(C=CO[C@H]9O8)O)O)C)C)(C(=O)OC)OC)C)OC(=O)C
InChI: InChI=1S/C38H50O14/c1-9-17(2)28(40)51-23-13-22(49-18(3)39)32(4)15-47-25-26(32)35(23)16-48-37(45-8,30(41)44-7)29(35)34(6)27(25)52-33(5)14-19-20-12-21(24(19)38(33,34)43)50-31-36(20,42)10-11-46-31/h9-11,19-27,29,31,42-43H,12-16H2,1-8H3/b17-9+/t19?,20-,21+,22-,23+,24?,25-,26+,27?,29+,31+,32-,33-,34-,35+,36+,37+,38-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C4N(C=NN4C3=S)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H20N6O7S/c1-8(25)28-5-11-13(29-9(2)26)14(30-10(3)27)16(31-11)23-6-19-12-15(23)21-18-22(4)7-20-24(18)17(12)32/h6-7,11,13-14,16H,5H2,1-4H3/t11-,13-,14-,16-/m1/s1
SMILES: C1CCC(CC1)NC2=NC=CC3=C2N=CN3[C@H]4[C@@H](C[C@H](O4)CO)O
InChI: InChI=1S/C17H24N4O3/c22-9-12-8-14(23)17(24-12)21-10-19-15-13(21)6-7-18-16(15)20-11-4-2-1-3-5-11/h6-7,10-12,14,17,22-23H,1-5,8-9H2,(H,18,20)/t12-,14+,17+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N
InChI: InChI=1S/C20H28N6OS/c1-13-7-3-5-9-15(13)22-18(27)12-28-11-17-24-19(21)26-20(25-17)23-16-10-6-4-8-14(16)2/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,22,27)(H3,21,23,24,25,26)/t13-,15+/m0/s1