EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=CON=C5C4)C
InChI: InChI=1S/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16-,17+,19-,20-,21-/m0/s1
SMILES: CCCCC/C=C/[C@H]1[C@@H](C[C@@H](O1)OC(=O)C)N=[N+]=[N-]
InChI: InChI=1S/C13H21N3O3/c1-3-4-5-6-7-8-12-11(15-16-14)9-13(19-12)18-10(2)17/h7-8,11-13H,3-6,9H2,1-2H3/b8-7+/t11-,12+,13-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]([C@@H](C3=C2COC(=O)N)O)NC)OC
InChI: InChI=1S/C16H19N3O6/c1-6-12(20)11-9(14(22)15(6)24-3)7(5-25-16(17)23)10-13(21)8(18-2)4-19(10)11/h8,13,18,21H,4-5H2,1-3H3,(H2,17,23)/t8-,13-/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](CC(=O)NC2=C1)C3=CC=C(C=C3)N(CCC#N)CCC#N)C
InChI: InChI=1S/C23H26N4O2/c1-23(2)14-19-22(20(28)15-23)18(13-21(29)26-19)16-5-7-17(8-6-16)27(11-3-9-24)12-4-10-25/h5-8,14,18,22H,3-4,11-13,15H2,1-2H3,(H,26,29)/t18-,22-/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)/C=C/C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H35NO3Si/c1-19(30-31(6,7)26(2,3)4)24-23(18-13-20-11-9-8-10-12-20)27(25(24)28)21-14-16-22(29-5)17-15-21/h8-19,23-24H,1-7H3/b18-13+/t19-,23-,24-/m0/s1
SMILES: C[C@]1([C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]1OC)OCC4=CC=CC=C4)O
InChI: InChI=1S/C22H26O6/c1-22(23)19(25-13-15-9-5-3-6-10-15)18-17(27-21(22)24-2)14-26-20(28-18)16-11-7-4-8-12-16/h3-12,17-21,23H,13-14H2,1-2H3/t17-,18-,19+,20?,21+,22-/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N
InChI: InChI=1S/C19H16ClN3O5/c20-12-6-5-11(8-21)15(7-12)22-16(24)10-28-17(25)9-23-18(26)13-3-1-2-4-14(13)19(23)27/h1-2,5-7,13-14H,3-4,9-10H2,(H,22,24)/t13-,14-/m1/s1
SMILES: CCCCC[C@@H](CCCCCCCCCC(=O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H50O10/c1-7-8-14-17-24(18-15-12-10-9-11-13-16-19-25(33)34-6)39-29-28(38-23(5)32)27(37-22(4)31)26(20(2)35-29)36-21(3)30/h20,24,26-29H,7-19H2,1-6H3/t20-,24+,26+,27+,28-,29+/m1/s1
SMILES: COC1=CC(=CC(=C1[C@H]2C(=CC[C@@]3([C@]2(C(=O)N(C3=O)C4=CC=C(C=C4)F)Cl)Cl)C=C)OC)O
InChI: InChI=1S/C24H20Cl2FNO5/c1-4-13-9-10-23(25)21(30)28(15-7-5-14(27)6-8-15)22(31)24(23,26)20(13)19-17(32-2)11-16(29)12-18(19)33-3/h4-9,11-12,20,29H,1,10H2,2-3H3/t20-,23-,24+/m1/s1
SMILES: C[N+]12CCCC[C@H]1[C@@H](CCC2)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C25H32NO3/c1-26-17-9-8-16-23(26)20(11-10-18-26)19-29-24(27)25(28,21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-7,12-15,20,23,28H,8-11,16-19H2,1H3/q+1/t20-,23-,26?/m0/s1
SMILES: CCOC(=O)N(CCOCCO)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC6=CC=CC=C6C=C5)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C46H60N2O10/c1-4-25-55-46-42(48(45(52)54-5-2)21-26-53-27-24-51)31-40(47-56-6-3)38-29-34(15-9-11-22-49)37(16-10-12-23-50)43(44(38)46)39-30-36(19-20-41(39)58-46)57-35-18-17-32-13-7-8-14-33(32)28-35/h4,7-8,13-14,17-20,28-30,34,37,42-44,49-51H,1,5-6,9-12,15-16,21-27,31H2,2-3H3/t34-,37+,42-,43+,44+,46+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=COC4=CC=CC=C4C3=O)CCCO
InChI: InChI=1S/C27H34N2O7/c1-2-34-27-18(9-6-15-30)20(21-17-35-22-10-4-3-8-19(22)25(21)32)16-23(36-27)26(33)28-12-7-14-29-13-5-11-24(29)31/h3-4,8,10,16-18,20,27,30H,2,5-7,9,11-15H2,1H3,(H,28,33)/t18-,20+,27-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C17H19NO3.C6H8O7/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5,10-11,13,16,19-20H,6-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11+,13-,16-,17-;/m0./s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1
InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16-,18+,19-,20-,21+,22+,23-,24-,25-,26-,27+/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCCl)OCC=C)C=O
InChI: InChI=1S/C50H60ClFN2O11/c1-3-24-62-50-45(54(49(58)61-26-21-51)31-33-13-15-36(52)16-14-33)30-42(53-65-46-12-6-9-25-60-46)40-28-34(10-4-7-22-55)39(11-5-8-23-56)47(48(40)50)41-29-38(18-20-44(41)64-50)63-37-17-19-43(59-2)35(27-37)32-57/h3,13-20,27-29,32,34,39,45-48,55-56H,1,4-12,21-26,30-31H2,2H3/t34-,39+,45-,46?,47+,48+,50+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=O)N1C2=CC=C(C=C2)OC)C(C)C
InChI: InChI=1S/C16H21NO4/c1-5-21-16(19)14-13(10(2)3)15(18)17(14)11-6-8-12(20-4)9-7-11/h6-10,13-14H,5H2,1-4H3/t13-,14-/m0/s1
SMILES: CCC(CCC(C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(=C)C
InChI: InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,21-22,24-33,36-39H,2,7-9,11-19H2,1,3-6H3/t21?,22?,24-,25?,26?,27?,28?,29+,30+,31-,32+,33+,34-,35+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C20H32N2O3/c1-15-7-5-6-8-17(15)21-20(23)14-22(2)12-11-16-9-10-18(24-3)19(13-16)25-4/h9-10,13,15,17H,5-8,11-12,14H2,1-4H3,(H,21,23)/p+1/t15-,17+/m1/s1
SMILES: C1=CC(=C(C=C1NC(=O)N)Cl)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H19ClN2O7/c15-8-3-7(17-14(16)22)2-1-6(8)5-23-13-12(21)11(20)10(19)9(4-18)24-13/h1-3,9-13,18-21H,4-5H2,(H3,16,17,22)/t9-,10-,11+,12-,13-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COP(=O)(NC(=O)C6=CC=CC=C6)OC7=CC=CC=C7)C
InChI: InChI=1S/C33H31N6O8P/c1-33(2)45-26-24(18-43-48(42,47-23-16-10-5-11-17-23)38-31(41)22-14-8-4-9-15-22)44-32(27(26)46-33)39-20-36-25-28(34-19-35-29(25)39)37-30(40)21-12-6-3-7-13-21/h3-17,19-20,24,26-27,32H,18H2,1-2H3,(H,38,41,42)(H,34,35,37,40)/t24-,26-,27-,32-,48?/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@@H]([C@H]2O1)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@@H]4COC(=O)CCC=CCCC(=O)O4)C
InChI: InChI=1S/C24H29NO10/c1-24(2)34-21-20(17-14-30-18(26)7-5-3-4-6-8-19(27)32-17)33-23(22(21)35-24)31-13-15-9-11-16(12-10-15)25(28)29/h3-4,9-12,17,20-23H,5-8,13-14H2,1-2H3/t17-,20+,21-,22-,23-/m0/s1
SMILES: CO[C@@H]1CN(C[C@@H]1NCC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI: InChI=1S/C26H28FN3O5/c1-34-21-14-29(13-20(21)28-11-15-6-4-3-5-7-15)23-19(27)10-17-22(25(23)35-2)30(16-8-9-16)12-18(24(17)31)26(32)33/h3-7,10,12,16,20-21,28H,8-9,11,13-14H2,1-2H3,(H,32,33)/t20-,21+/m0/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C18H19F3N2O6/c1-10-6-15(24)13(14(10)8-23(27)28)7-17(26)29-9-16(25)22-12-4-2-11(3-5-12)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3,(H,22,25)/t10-,13+,14+/m0/s1
SMILES: C[C@@H]1CN(CC[C@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CS3)C=C(C=C4)O
InChI: InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25-,26-,28+/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI: InChI=1S/C17H15ClN2O3S/c18-13-8-4-5-9-14(13)20-16-11-24(22,23)10-15(16)19(17(20)21)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)C)C)C=C)C
InChI: InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-31(44)41-30(37(49)50)15-33(47)48)35(42-26)23(11-32(45)46)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t18-,22-,30-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OS(=O)(=O)C4=CC=C(C=C4)O)C
InChI: InChI=1S/C18H24O9S/c1-17(2)22-9-12(24-17)13-14(15-16(23-13)26-18(3,4)25-15)27-28(20,21)11-7-5-10(19)6-8-11/h5-8,12-16,19H,9H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: CCC#CC1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=C3C=CC(=C4)O)C
InChI: InChI=1S/C22H24O2/c1-3-4-5-14-6-9-20-18-13-21(24)19-12-15(23)7-8-16(19)17(18)10-11-22(14,20)2/h6-8,12,17-18,20,23H,3,9-11,13H2,1-2H3/t17-,18-,20+,22-/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CNP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)I
InChI: InChI=1S/C9H15IN3O14P3/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(25-8)1-11-28(18,19)26-30(23,24)27-29(20,21)22/h2,4-6,8,14-15H,1H2,(H,23,24)(H2,11,18,19)(H,12,16,17)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
SMILES: CC(C)[C@H]1C(=O)N([C@]2(C[C@@H]2C3=CC=CC=C3)C(=O)N1CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC
InChI: InChI=1S/C31H34N2O4/c1-21(2)28-29(34)33(20-23-12-16-26(37-4)17-13-23)31(18-27(31)24-8-6-5-7-9-24)30(35)32(28)19-22-10-14-25(36-3)15-11-22/h5-17,21,27-28H,18-20H2,1-4H3/t27-,28+,31+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)C(=O)O)OCC3=CC=C(C=C3)F)OCC4=CC=CC=C4
InChI: InChI=1S/C26H28FN3O5/c27-20-12-10-19(11-13-20)17-35-25-14-22(26(32)33)29-30(25)15-24(31)28-21-8-4-5-9-23(21)34-16-18-6-2-1-3-7-18/h1-3,6-7,10-14,21,23H,4-5,8-9,15-17H2,(H,28,31)(H,32,33)/t21-,23-/m0/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N\N3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C21H17N3O6/c1-29-16-6-4-13(24(27)28)9-15(16)17-7-5-14(30-17)10-22-23-20(25)18-11-2-3-12(8-11)19(18)21(23)26/h2-7,9-12,18-19H,8H2,1H3/b22-10-/t11-,12+,18-,19+
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H]2C(=O)NN=CC3=CC4=CC=CC=C4N=C3Cl
InChI: InChI=1S/C24H24ClN3O/c1-24(2,3)18-10-8-15(9-11-18)19-13-20(19)23(29)28-26-14-17-12-16-6-4-5-7-21(16)27-22(17)25/h4-12,14,19-20H,13H2,1-3H3,(H,28,29)/t19-,20-/m1/s1
SMILES: CC/C=C\C/C=C\C=C\C=C\C=C/[C@H]1[C@H]2[C@@H](/C=C/[C@H](CCC(=O)O1)Cl)OC(O2)(C)C
InChI: InChI=1S/C25H33ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-24-22(29-25(2,3)30-24)18-16-20(26)17-19-23(27)28-21/h5-6,8-16,18,20-22,24H,4,7,17,19H2,1-3H3/b6-5-,9-8-,11-10+,13-12+,15-14-,18-16+/t20-,21+,22-,24+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=CC(=O)NC2=O)COP(=O)(O)O
InChI: InChI=1S/C13H17N2O11P/c1-6(16)24-10-8(5-23-27(20,21)22)26-12(11(10)25-7(2)17)15-4-3-9(18)14-13(15)19/h3-4,8,10-12H,5H2,1-2H3,(H,14,18,19)(H2,20,21,22)/t8-,10-,11-,12-/m1/s1
SMILES: CO[C@@H]1CC(=O)[C@@H]([C@H]1/C=C/CC(C2(CCC2)CC3=CC=C(S3)Cl)OC)C/C=C/CCCC(=O)OC
InChI: InChI=1S/C28H39ClO5S/c1-32-24-18-23(30)21(10-6-4-5-7-13-27(31)34-3)22(24)11-8-12-25(33-2)28(16-9-17-28)19-20-14-15-26(29)35-20/h4,6,8,11,14-15,21-22,24-25H,5,7,9-10,12-13,16-19H2,1-3H3/b6-4+,11-8+/t21-,22-,24-,25?/m1/s1
SMILES: CC1CC[C@@H]2C13CC(C[C@H]3C=C2C(=O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)(C)C
InChI: InChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9?,10-,12+,13+,14+,15-,16+,19-,21?/m1/s1
SMILES: CC(=O)N(CC1=CC=CC=C1)[C@H]2[C@H](O[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)C[Hg]Cl
InChI: InChI=1S/C37H40NO5.ClH.Hg/c1-28-35(38(29(2)39)23-30-15-7-3-8-16-30)37(42-26-33-21-13-6-14-22-33)36(41-25-32-19-11-5-12-20-32)34(43-28)27-40-24-31-17-9-4-10-18-31;;/h3-22,28,34-37H,1,23-27H2,2H3;1H;/q;;+1/p-1/t28-,34-,35+,36-,37-;;/m1../s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)Cl
InChI: InChI=1S/C27H18ClNO5/c1-14-6-12-17(13-7-14)29-25(32)20-21(26(29)33)27(34-22(20)15-8-10-16(28)11-9-15)23(30)18-4-2-3-5-19(18)24(27)31/h2-13,20-22H,1H3/t20-,21+,22+/m1/s1
SMILES: CC1([C@@H]2[C@H]1C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN3CCCS3(=O)=O)C(C)(C)C)C(=O)NC(CCC(F)(F)F)C(=O)C(=O)NC)C
InChI: InChI=1S/C31H51F3N6O7S/c1-28(2,3)19(16-39-13-10-14-48(39,46)47)37-27(45)38-23(29(4,5)6)26(44)40-15-17-20(30(17,7)8)21(40)24(42)36-18(11-12-31(32,33)34)22(41)25(43)35-9/h17-21,23H,10-16H2,1-9H3,(H,35,43)(H,36,42)(H2,37,38,45)/t17-,18?,19+,20-,21?,23+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](CP(=O)(O[C@H]1[C@@H]([C@H](CO)O)O)O)O
InChI: InChI=1S/C9H18NO8P/c1-4(12)10-7-6(14)3-19(16,17)18-9(7)8(15)5(13)2-11/h5-9,11,13-15H,2-3H2,1H3,(H,10,12)(H,16,17)/t5-,6-,7+,8+,9+/m0/s1
SMILES: C/C/1=C\CC/C(=C/C[C@@]2(CC[C@@]([C@H]2CC1)(C(=C)C)O)C)/C
InChI: InChI=1S/C20H32O/c1-15(2)20(21)14-13-19(5)12-11-17(4)8-6-7-16(3)9-10-18(19)20/h7,11,18,21H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20-/m0/s1
SMILES: COC(=O)C[C@H]1[C@H]([C@@H]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H18O3/c1-22-16(20)12-15-17(13-8-4-2-5-9-13)18(15)19(21)14-10-6-3-7-11-14/h2-11,15,17-18H,12H2,1H3/t15-,17+,18+/m0/s1
SMILES: CC1=CC=CC=C1CN2CCN(CC2)C(=O)[C@H]3[C@H](C4CCC3CC4)C(=O)O
InChI: InChI=1S/C22H30N2O3/c1-15-4-2-3-5-18(15)14-23-10-12-24(13-11-23)21(25)19-16-6-8-17(9-7-16)20(19)22(26)27/h2-5,16-17,19-20H,6-14H2,1H3,(H,26,27)/t16?,17?,19-,20+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@]2(OC[C@]1(O2)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C21H29NO13/c1-10(23)22-17-15(32-12(3)25)7-21(19(28)29-6)31-9-20(17,35-21)18(34-14(5)27)16(33-13(4)26)8-30-11(2)24/h15-18H,7-9H2,1-6H3,(H,22,23)/t15-,16+,17+,18+,20+,21-/m0/s1
SMILES: CC(=O)[C@]12CCCC[C@H]1C[C@H]3[C@@]2(CC[C@@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(CC[C@H](C6)OC(=O)C)C)O5)C
InChI: InChI=1S/C27H40O4/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23-27(31-23)15-19(30-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-23H,5-15H2,1-4H3/t18-,19+,20+,21+,22+,23+,24-,25+,26+,27+/m0/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)([C@@H](C2=O)Br)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H18BrCl2NO2/c1-15(2)16(3)6-7-17(15,12(18)13(16)22)14(23)21-9-4-5-10(19)11(20)8-9/h4-5,8,12H,6-7H2,1-3H3,(H,21,23)/t12-,16+,17-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C40H33ClFN3O6/c41-25-8-6-24(7-9-25)40-33(37(49)45(39(40)51)43-27-12-10-26(42)11-13-27)21-32-30(35(40)23-2-1-3-29(47)20-23)16-17-31-34(32)38(50)44(36(31)48)19-18-22-4-14-28(46)15-5-22/h1-16,20,31-35,43,46-47H,17-19,21H2/t31-,32+,33-,34-,35-,40+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@]3([C@@]2(C4(N=C3N)OCCO4)C#N)C#N
InChI: InChI=1S/C17H16N4O3/c1-2-22-12-5-3-11(4-6-12)13-15(9-18)14(20)21-17(16(13,15)10-19)23-7-8-24-17/h3-6,13H,2,7-8H2,1H3,(H2,20,21)/t13-,15+,16+/m0/s1
SMILES: CS(=O)(=O)NC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C24H35NO6S/c1-32(30,31)25-24(29)12-8-3-2-7-11-20-21(23(28)17-22(20)27)16-15-19(26)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,15-16,19-23,26-28H,3,8,11-14,17H2,1H3,(H,25,29)/b7-2+,16-15+/t19-,20+,21+,22-,23+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@@H](C#N)N)C
InChI: InChI=1S/C13H20N2O5/c1-12(2)17-8-7(6(15)5-14)16-11-10(9(8)18-12)19-13(3,4)20-11/h6-11H,15H2,1-4H3/t6-,7-,8+,9+,10-,11-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C(=O)C2=CC=C(C=C2)C(C)(C)C)C(C)C
InChI: InChI=1S/C22H32O3/c1-14(2)18-12-7-15(3)13-19(18)25-21(24)20(23)16-8-10-17(11-9-16)22(4,5)6/h8-11,14-15,18-19H,7,12-13H2,1-6H3/t15-,18+,19+/m1/s1
SMILES: C[C@]12CCCC(C1=C[C@@H]3[C@H]2[C@H](C3=O)C4=CC=C(C=C4)OC)(C)C
InChI: InChI=1S/C21H26O2/c1-20(2)10-5-11-21(3)16(20)12-15-18(21)17(19(15)22)13-6-8-14(23-4)9-7-13/h6-9,12,15,17-18H,5,10-11H2,1-4H3/t15-,17-,18+,21+/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C(=CC=C8)C(=O)NCC(=O)O
InChI: InChI=1S/C29H29N3O6/c33-19-7-6-15-10-20-29(37)11-18-16-2-1-3-17(27(36)30-12-21(34)35)23(16)31-24(18)26-28(29,22(15)25(19)38-26)8-9-32(20)13-14-4-5-14/h1-3,6-7,14,20,26,31,33,37H,4-5,8-13H2,(H,30,36)(H,34,35)/t20-,26-,28+,29-/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)CCCCCNC(=O)C)CN(C)[C@@H](C)[C@@H](C5=CC=CC=C5)O
InChI: InChI=1S/C44H55N3O6/c1-30-40(28-47(4)31(2)42(51)35-13-7-5-8-14-35)52-44(53-43(30)36-20-18-33(29-48)19-21-36)37-24-22-34(23-25-37)39-16-11-10-15-38(39)27-46-41(50)17-9-6-12-26-45-32(3)49/h5,7-8,10-11,13-16,18-25,30-31,40,42-44,48,51H,6,9,12,17,26-29H2,1-4H3,(H,45,49)(H,46,50)/t30-,31-,40+,42-,43+,44+/m0/s1
SMILES: CN1CC[C@@H]([C@@H](C1)C2=CC=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-].Cl
InChI: InChI=1S/C18H20N2O3.ClH/c1-19-11-10-18(17(13-19)14-6-3-2-4-7-14)23-16-9-5-8-15(12-16)20(21)22;/h2-9,12,17-18H,10-11,13H2,1H3;1H/t17-,18-;/m0./s1
SMILES: C1[C@@]([C@H](N(O1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])(CO)Br
InChI: InChI=1S/C16H15BrN2O4/c17-16(10-20)11-23-18(13-4-2-1-3-5-13)15(16)12-6-8-14(9-7-12)19(21)22/h1-9,15,20H,10-11H2/t15-,16-/m1/s1
SMILES: CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)CC)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C46H56N4O7/c1-5-31(3)39(49-45(53)55-29-35-23-15-9-16-24-35)43(51)47-37(27-33-19-11-7-12-20-33)41-42(57-41)38(28-34-21-13-8-14-22-34)48-44(52)40(32(4)6-2)50-46(54)56-30-36-25-17-10-18-26-36/h7-26,31-32,37-42H,5-6,27-30H2,1-4H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54)/t31?,32?,37-,38-,39-,40-,41-,42+/m0/s1
SMILES: C[C@@]12[C@H]3[C@H]([C@@H](O[C@@H]3O)O)[C@@](C1(C)C)([N+](=N2)[O-])C
InChI: InChI=1S/C11H18N2O4/c1-9(2)10(3)5-6(8(15)17-7(5)14)11(9,4)13(16)12-10/h5-8,14-15H,1-4H3/t5-,6+,7-,8+,10+,11-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CNC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C16H17N3O5/c20-11-8-14(19-7-6-13(21)18-16(19)23)24-12(11)9-17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20H,8-9H2,(H,17,22)(H,18,21,23)/t11-,12+,14+/m0/s1
SMILES: CC1=C(C(=NN1C)C)C2=CC(=C(C=C2)OC)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C25H32N4O/c1-17-24(18(2)29(3)28-17)20-12-13-23(30-4)21(15-20)16-27-22-11-8-14-26-25(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,25-27H,8,11,14,16H2,1-4H3/t22-,25-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](CC1=O)C(=C)CCOS(=O)(=O)C2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H41NO7SSi/c1-19(15-16-32-35(30,31)20-13-11-10-12-14-20)21-17-23(28)27(24(29)34-25(2,3)4)22(21)18-33-36(8,9)26(5,6)7/h10-14,21-22H,1,15-18H2,2-9H3/t21-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC2=CC(=NC(=N2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H27N3O12/c1-9(25)31-8-14-17(33-11(3)27)18(34-12(4)28)19(35-13(5)29)20(36-14)22-15-7-16(32-10(2)26)24-21(23-15)30-6/h7,14,17-20H,8H2,1-6H3,(H,22,23,24)/t14-,17-,18+,19-,20-/m1/s1
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
InChI: InChI=1S/C30H38O13/c1-12-8-16(32)23(35)28(6)15(12)10-17-29-11-40-30(26(38)39-7,24(36)19(34)21(28)29)22(29)20(25(37)41-17)42-18(33)9-13(2)27(4,5)43-14(3)31/h8-9,15,17,19-24,34-36H,10-11H2,1-7H3/b13-9+/t15-,17+,19+,20+,21+,22+,23+,24-,28-,29?,30+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CN2C(=O)[C@]3([C@H](C(O[C@@]([C@@]3(O)Cl)(CO)Br)O)O)O
InChI: InChI=1S/C15H15BrClNO7/c16-13(7-19)15(17,24)14(23,10(20)11(21)25-13)12(22)18-6-5-8-3-1-2-4-9(8)18/h1-6,10-11,19-21,23-24H,7H2/t10-,11?,13+,14-,15-/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)[O-]
InChI: InChI=1S/C18H21NO4S2/c1-11-9-13(11)14-7-6-12(23-14)10-15-17(22)19(18(24)25-15)8-4-2-3-5-16(20)21/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21)/p-1/b15-10-/t11-,13+/m0/s1
SMILES: CCC=CC(=O)N(CCOC)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO
InChI: InChI=1S/C23H30N2O6/c1-3-4-9-19(27)25(11-13-30-2)17-14-16(23(29)24-10-12-26)20-15-7-5-6-8-18(15)31-22(20)21(17)28/h4-9,14,17,20-22,26,28H,3,10-13H2,1-2H3,(H,24,29)/t17-,20+,21+,22+/m1/s1
SMILES: C[C@H](C1=CC=C(C=C1)Br)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H21BrN2O3/c1-12(13-6-8-14(20)9-7-13)21-17(23)10-11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-3,6-9,12,15-16H,4-5,10-11H2,1H3,(H,21,23)/t12-,15-,16+/m1/s1
SMILES: CCOC(=O)CN(C(C1=CC=CC=C1)C2=CC=CC=C2)S(=O)(=O)C[C@H]([C@H]3[C@@H](N(C(O3)(C)C)C(=O)OC(C)(C)C)CC4CCCCC4)O
InChI: InChI=1S/C36H52N2O8S/c1-7-44-31(40)24-37(32(27-19-13-9-14-20-27)28-21-15-10-16-22-28)47(42,43)25-30(39)33-29(23-26-17-11-8-12-18-26)38(36(5,6)45-33)34(41)46-35(2,3)4/h9-10,13-16,19-22,26,29-30,32-33,39H,7-8,11-12,17-18,23-25H2,1-6H3/t29-,30+,33+/m0/s1
SMILES: COCCCN1CC[C@H]([C@@H](C1)O)CNC(=O)C2=CC(=C(C3=C2OCCO3)OC)Cl
InChI: InChI=1S/C20H29ClN2O6/c1-26-7-3-5-23-6-4-13(16(24)12-23)11-22-20(25)14-10-15(21)18(27-2)19-17(14)28-8-9-29-19/h10,13,16,24H,3-9,11-12H2,1-2H3,(H,22,25)/t13-,16+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)OC(O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C16H17Cl2N3O2/c17-11-5-6-12(13(18)7-11)16(8-21-10-19-9-20-21)22-14-3-1-2-4-15(14)23-16/h5-7,9-10,14-15H,1-4,8H2/t14-,15+,16?
SMILES: CC[NH+]1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
InChI: InChI=1S/C25H23N5O/c1-3-30-11-10-17-20(12-26)24(29)25(14-27,15-28)23(21(17)13-30)19-8-9-22(31-2)18-7-5-4-6-16(18)19/h4-10,20-21,23,29H,3,11,13H2,1-2H3/p+1/t20?,21-,23-/m1/s1
SMILES: COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2C[C@H]([C@@H]([C@@H]2[C@H](CO)O)O)O)O)O
InChI: InChI=1S/C21H39NO10/c1-30-16(26)8-6-4-2-3-5-7-9-31-21-20(29)19(28)15(32-21)11-22-10-13(24)18(27)17(22)14(25)12-23/h13-15,17-21,23-25,27-29H,2-12H2,1H3/t13-,14+,15-,17+,18+,19-,20+,21+/m1/s1
SMILES: CCCCNCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C26H45NO/c1-5-6-15-27-17-18(2)22-9-10-23-21-8-7-19-16-20(28)11-13-25(19,3)24(21)12-14-26(22,23)4/h7,18,20-24,27-28H,5-6,8-17H2,1-4H3/t18?,20-,21?,22+,23?,24?,25-,26+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC(=C(C=C5)O)O
InChI: InChI=1S/C23H17ClN2O5/c24-14-5-4-8-16(12-14)25-22(29)19-20(13-9-10-17(27)18(28)11-13)26(31-21(19)23(25)30)15-6-2-1-3-7-15/h1-12,19-21,27-28H/t19-,20+,21+/m0/s1
SMILES: CCOC1([C@@]2([C@]([C@@]2(C(=[NH+]1)N)C#N)(C)C3=CC(=CC=C3)Cl)C#N)OCC
InChI: InChI=1S/C18H19ClN4O2/c1-4-24-18(25-5-2)17(11-21)15(3,12-7-6-8-13(19)9-12)16(17,10-20)14(22)23-18/h6-9H,4-5H2,1-3H3,(H2,22,23)/p+1/t15-,16+,17-/m1/s1
SMILES: CC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(CC5=C(C4)N(N=C5)S(=O)(=O)C)C
InChI: InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-24-25(20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C2=C(C=C(C(=C2)OC)C)C(C1CO)O)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C25H32O8/c1-7-33-25(28)22-17(12-26)23(27)16-8-13(2)18(29-3)11-15(16)21(22)14-9-19(30-4)24(32-6)20(10-14)31-5/h8-11,17,21-23,26-27H,7,12H2,1-6H3/t17?,21-,22-,23?/m1/s1
SMILES: CC1=C[C@@H]2[C@@H](CC[C@@]([C@@H]2CC1)(C)O)[C@H](C)CCC=C(C)C
InChI: InChI=1S/C20H34O/c1-14(2)7-6-8-16(4)17-11-12-20(5,21)19-10-9-15(3)13-18(17)19/h7,13,16-19,21H,6,8-12H2,1-5H3/t16-,17+,18-,19-,20-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)CO4)Br)C
InChI: InChI=1S/C29H47BrO3/c1-18(2)7-6-8-19(3)23-9-10-24-22-15-26-29(30)16-21(33-20(4)31)11-14-28(29,17-32-26)25(22)12-13-27(23,24)5/h18-19,21-26H,6-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+,29+/m1/s1
SMILES: C1C[C@H]2CC(=O)N[C@H]2[C@@H](C1)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C15H17NO3/c17-14-7-10-2-1-3-11(15(10)16-14)9-4-5-12-13(6-9)19-8-18-12/h4-6,10-11,15H,1-3,7-8H2,(H,16,17)/t10-,11-,15+/m0/s1
SMILES: CC1=CSC(=N1)[C@H]2CCC3[C@@]2(CCC4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C23H33NOS/c1-14-13-26-21(24-14)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,13,16-20,25H,5-12H2,1-3H3/t16-,17-,18?,19?,20+,22-,23-/m0/s1
SMILES: CC1=CC2=C(C=C1)N=C(N=C2N[C@H]3CCCC[C@H]3N=C(N)N)NC(=O)C4=CC5=CC=CC=C5S4
InChI: InChI=1S/C25H27N7OS/c1-14-10-11-17-16(12-14)22(28-18-7-3-4-8-19(18)29-24(26)27)31-25(30-17)32-23(33)21-13-15-6-2-5-9-20(15)34-21/h2,5-6,9-13,18-19H,3-4,7-8H2,1H3,(H4,26,27,29)(H2,28,30,31,32,33)/t18-,19+/m0/s1
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O)C(=O)N[C@H]3CCCC[C@H]([C@H]3O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC4=NC(=CS4)C5=NC(=CS5)C(=O)NCCCNCCCCN
InChI: InChI=1S/C46H70N18O10S2/c1-22-33(61-40(64-38(22)50)27(16-31(49)66)56-17-25(48)39(51)69)44(73)63-35(37(68)28-18-53-21-57-28)45(74)59-26-9-4-3-8-24(36(26)67)41(70)62-34(23(2)65)43(72)55-15-10-32-58-30(20-75-32)46-60-29(19-76-46)42(71)54-14-7-13-52-12-6-5-11-47/h18-21,23-27,34-37,52,56,65,67-68H,3-17,47-48H2,1-2H3,(H2,49,66)(H2,51,69)(H,53,57)(H,54,71)(H,55,72)(H,59,74)(H,62,70)(H,63,73)(H2,50,61,64)/t23-,24-,25+,26+,27+,34+,35+,36-,37+/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)OC)COC)OC)OC)OC
InChI: InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h11-20H,9-10H2,1-8H3/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1