EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C
InChI: InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
SMILES: C[C@@H]1CC[C@H](C[C@]1(NCCC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)S/C=C(\C(=O)OC)/O)C(C)C
InChI: InChI=1S/C30H41NO5S/c1-21(2)25-13-11-22(3)30(18-25,37-20-26(32)29(33)35-5)31-16-15-23-12-14-27(34-4)28(17-23)36-19-24-9-7-6-8-10-24/h6-10,12,14,17,20-22,25,31-32H,11,13,15-16,18-19H2,1-5H3/b26-20+/t22-,25-,30+/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CNC(=S)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H26N4OS/c1-28-14-15(12-26-24(30)27-23(29)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(13-25-20)11-21(19)28/h2-9,13,15,19,21,25H,10-12,14H2,1H3,(H2,26,27,29,30)/t15-,19+,21+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@@H]([C@H]4CC=C[C@@H]4C5=CC(=CC2=C53)C(=O)NCC(=O)[O-])C6=CC=C(C=C6)F
InChI: InChI=1S/C27H25FN2O3/c28-18-9-7-15(8-10-18)25-21-6-2-5-20(21)23-12-17(27(33)29-13-24(31)32)11-22-19-4-1-3-16(19)14-30(25)26(22)23/h1-2,4-5,7-12,16,19-21,25H,3,6,13-14H2,(H,29,33)(H,31,32)/p-1/t16-,19+,20+,21+,25-/m1/s1
SMILES: CC(C)(C)NC(=O)C1=C(C=C(S1)C2CCCCC2)[C@@H]3[C@H](CCC4=CC(=C(C=C34)OC)OC)N
InChI: InChI=1S/C27H38N2O3S/c1-27(2,3)29-26(30)25-19(15-23(33-25)16-9-7-6-8-10-16)24-18-14-22(32-5)21(31-4)13-17(18)11-12-20(24)28/h13-16,20,24H,6-12,28H2,1-5H3,(H,29,30)/t20-,24+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C16H20N2O4/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,19)(H,18,20)(H,21,22)/t12-,13+/m0/s1
SMILES: CCC1(O[C@@H]2C[C@@]3([C@H](C(=O)[C@@H]2O1)OC(O3)(C)C)C(=O)OC)CC
InChI: InChI=1S/C16H24O7/c1-6-15(7-2)20-9-8-16(13(18)19-5)12(10(17)11(9)21-15)22-14(3,4)23-16/h9,11-12H,6-8H2,1-5H3/t9-,11-,12+,16-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC[C@@H](CN2C[C@H](O[C@H](C2)C)C)O)C(C)C
InChI: InChI=1S/C19H37NO3/c1-13(2)18-7-6-14(3)8-19(18)22-12-17(21)11-20-9-15(4)23-16(5)10-20/h13-19,21H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19-/m1/s1
SMILES: C[C@H]1[C@H](OC(=C[C@H]1C[Se]C2=CC=CC=C2)C(=O)C(=O)N[C@@H]3[C@@H]4[C@@H]([C@H](C([C@H](O4)C[C@@H](CO[Si](C)(C)C(C)(C)C)OC)(C)C)OC)OCO3)C
InChI: InChI=1S/C36H57NO9SeSi/c1-22-23(2)45-27(17-24(22)20-47-26-15-13-12-14-16-26)29(38)33(39)37-34-31-30(42-21-43-34)32(41-9)36(6,7)28(46-31)18-25(40-8)19-44-48(10,11)35(3,4)5/h12-17,22-25,28,30-32,34H,18-21H2,1-11H3,(H,37,39)/t22-,23+,24-,25-,28+,30-,31-,32+,34-/m0/s1
SMILES: CCC1C(N(CC(C(=O)[C@@H](C[C@]([C@@H]([C@H](C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)CCCC4=CC=CC=C4)C
InChI: InChI=1S/C46H78N2O11/c1-14-36-32(7)48(22-18-21-34-19-16-15-17-20-34)26-28(3)38(49)27(2)24-46(10,54-13)42(59-44-39(50)35(47-11)23-29(4)55-44)30(5)40(31(6)43(52)57-36)58-37-25-45(9,53-12)41(51)33(8)56-37/h15-17,19-20,27-33,35-37,39-42,44,47,50-51H,14,18,21-26H2,1-13H3/t27-,28?,29-,30+,31-,32?,33+,35+,36?,37+,39-,40?,41+,42-,44+,45-,46+/m1/s1
SMILES: CC[C@@]12CCCN3[C@@]14[C@]5(CC3=S)[C@H]([C@@](C2=O)(O4)C(=O)OC)N(C6=CC=CC=C56)C
InChI: InChI=1S/C22H24N2O4S/c1-4-19-10-7-11-24-15(29)12-20-13-8-5-6-9-14(13)23(2)16(20)21(17(19)25,18(26)27-3)28-22(19,20)24/h5-6,8-9,16H,4,7,10-12H2,1-3H3/t16-,19+,20+,21+,22+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)CCN3C(=O)CSC4=CC=CC=C43
InChI: InChI=1S/C22H28N2O4S/c25-20(23-12-5-7-16-6-1-2-8-17(16)23)14-28-22(27)11-13-24-18-9-3-4-10-19(18)29-15-21(24)26/h3-4,9-10,16-17H,1-2,5-8,11-15H2/t16-,17+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F
InChI: InChI=1S/C21H32FN3O2/c1-16-5-3-4-6-19(16)23-21(26)15-25-11-9-24(10-12-25)14-17-7-8-20(27-2)18(22)13-17/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3,(H,23,26)/p+2/t16-,19+/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC
InChI: InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26+/m0/s1
SMILES: COC1=CC=CC=C1/C=C/[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCC=C
InChI: InChI=1S/C18H20N2O4/c1-4-11-24-17(21)16-12(2)19-18(22)20-14(16)10-9-13-7-5-6-8-15(13)23-3/h4-10,14,16H,1-2,11H2,3H3,(H2,19,20,22)/b10-9+/t14-,16+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)CSC5=CC=CC=C5OC
InChI: InChI=1S/C32H32N2O5S/c1-21-28(20-40-29-11-4-3-10-27(29)37-2)38-32(39-30(21)23-14-12-22(19-35)13-15-23)24-7-5-9-26(17-24)34-31(36)25-8-6-16-33-18-25/h3-18,21,28,30,32,35H,19-20H2,1-2H3,(H,34,36)/t21-,28+,30+,32+/m0/s1
SMILES: CN1CC[C@@]2([C@H](C1)C3=CC=CC=C3O2)C4=CC(=CC=C4)OC
InChI: InChI=1S/C19H21NO2/c1-20-11-10-19(14-6-5-7-15(12-14)21-2)17(13-20)16-8-3-4-9-18(16)22-19/h3-9,12,17H,10-11,13H2,1-2H3/t17-,19+/m1/s1
SMILES: C[C@H]1[C@H](OCC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C20H20N2O3/c1-14-18(15-7-3-2-4-8-15)25-12-11-21(14)13-22-19(23)16-9-5-6-10-17(16)20(22)24/h2-10,14,18H,11-13H2,1H3/p+1/t14-,18-/m0/s1
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OC[C@@H]2CCC[N@@+]3([C@H]2CCCC3)C)OC
InChI: InChI=1S/C23H36NO4/c1-4-5-15-27-21-12-11-18(16-22(21)26-3)23(25)28-17-19-9-8-14-24(2)13-7-6-10-20(19)24/h11-12,16,19-20H,4-10,13-15,17H2,1-3H3/q+1/t19-,20-,24+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H](C(=O)OC)OS(=O)(=O)C(F)(F)F)COC2=CC=C(C=C2)OC)C
InChI: InChI=1S/C17H21F3O9S/c1-16(2)27-12(9-26-11-7-5-10(24-3)6-8-11)13(28-16)14(15(21)25-4)29-30(22,23)17(18,19)20/h5-8,12-14H,9H2,1-4H3/t12-,13+,14+/m0/s1
SMILES: C[C@@]12[C@@H]3[C@H]4C[C@@H]([C@@H]3[C@H](O1)O)[C@@H]([C@H]4O2)I
InChI: InChI=1S/C10H13IO3/c1-10-6-4-2-3(5(6)9(12)14-10)7(11)8(4)13-10/h3-9,12H,2H2,1H3/t3-,4+,5-,6+,7-,8-,9-,10-/m0/s1
SMILES: CN(C)[C@@H]1CCCC[C@H]1NC(=S)NC2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C16H22F3N3S/c1-22(2)14-6-4-3-5-13(14)21-15(23)20-12-9-7-11(8-10-12)16(17,18)19/h7-10,13-14H,3-6H2,1-2H3,(H2,20,21,23)/t13-,14-/m1/s1
SMILES: C1[C@@H]2C=C(C[C@@H]2[C@H]([C@@H]1O)/C=C/[C@H](CCCCC3=CC(=CC=C3)N=[N+]=[N-])O)CCCCC(=O)O
InChI: InChI=1S/C26H35N3O4/c27-29-28-21-9-5-8-18(15-21)6-1-3-10-22(30)12-13-23-24-16-19(7-2-4-11-26(32)33)14-20(24)17-25(23)31/h5,8-9,12-15,20,22-25,30-31H,1-4,6-7,10-11,16-17H2,(H,32,33)/b13-12+/t20-,22-,23+,24-,25+/m0/s1
SMILES: CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C4CCC5[C@@]4(CCC6C5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C
InChI: InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24?,25-,26+,27?,28?,29?,30+,31+,34?,36+,37+,38?,42+,44-,45+/m0/s1
SMILES: CC1=CC(=CC=C1)C(=O)N[C@@H]2[C@@H](/[N+](=C/C3=CC=CC=C3OC)/N=C2[O-])C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H22ClN3O3/c1-16-6-5-8-18(14-16)24(30)27-22-23(17-10-12-20(26)13-11-17)29(28-25(22)31)15-19-7-3-4-9-21(19)32-2/h3-15,22-23H,1-2H3,(H-,27,28,30,31)/b29-15-/t22-,23+/m1/s1
SMILES: C1=CC=C(C=C1)C(CNC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CN5N=CC=N5)O)O)C6=CC=CC=C6
InChI: InChI=1S/C26H25ClN8O3/c27-26-32-23(28-13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17)20-24(33-26)34(15-29-20)25-22(37)21(36)19(38-25)14-35-30-11-12-31-35/h1-12,15,18-19,21-22,25,36-37H,13-14H2,(H,28,32,33)/t19-,21-,22-,25-/m1/s1
SMILES: CC12C=CC[C@@]3(C1[C@@H]([C@]45C3CC[C@H](C4)C(=C)C5)C(=O)OC)OC2=O
InChI: InChI=1S/C20H24O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h4,7,12-15H,1,5-6,8-10H2,2-3H3/t12-,13?,14-,15?,18?,19+,20-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C
InChI: InChI=1S/C21H29N3O2S2/c1-12-7-6-9-15(13(12)2)22-17(25)11-27-21-23-19-18(20(26)24(21)3)14-8-4-5-10-16(14)28-19/h12-13,15H,4-11H2,1-3H3,(H,22,25)/t12-,13-,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)SCC2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C18H25NO4S/c1-18(2,3)23-17(22)19-10-9-14(16(20)21)15(11-19)24-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,20,21)/t14-,15+/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2)C
InChI: InChI=1S/C25H24ClN3O5/c1-12-7-8-15-21(13(12)2)27-24(34)25(15)20-19(17(28-25)9-10-18(30)31)22(32)29(23(20)33)11-14-5-3-4-6-16(14)26/h3-8,17,19-20,28H,9-11H2,1-2H3,(H,27,34)(H,30,31)/t17-,19+,20-,25+/m0/s1
SMILES: CCOC(=O)N(C)[C@@H](C)[C@@H](C1=CC=CC=C1)OC(=O)[C@H]2[C@@H]([C@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C31H33NO5/c1-4-36-31(35)32(3)21(2)29(24-18-12-7-13-19-24)37-30(34)28-26(33)20-25(22-14-8-5-9-15-22)27(28)23-16-10-6-11-17-23/h5-19,21,25,27-29H,4,20H2,1-3H3/t21-,25+,27+,28+,29-/m0/s1
SMILES: CC(=O)O[C@H]([C@H]1COC(O1)(C)C)[C@H]2[C@H](OC(O2)(C)C)C=O
InChI: InChI=1S/C14H22O7/c1-8(16)18-11(10-7-17-13(2,3)20-10)12-9(6-15)19-14(4,5)21-12/h6,9-12H,7H2,1-5H3/t9-,10-,11-,12-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)OCC4=CC=CC=N4)C(=O)O
InChI: InChI=1S/C19H18N6O6S2/c1-30-24-12(10-7-33-19(20)22-10)15(26)23-13-16(27)25-14(18(28)29)11(8-32-17(13)25)31-6-9-4-2-3-5-21-9/h2-5,7,13,17H,6,8H2,1H3,(H2,20,22)(H,23,26)(H,28,29)/b24-12-/t13-,17-/m1/s1
SMILES: COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O7/c1-28-15-9-5-4-8-14(15)18(25)21-16(23)11-29-17(24)10-22-19(26)12-6-2-3-7-13(12)20(22)27/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23,25)/t12-,13+
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H]([C@@H]([C@H]([C@H](C1)C)O)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H55NO6Si/c1-21-15-14-18-27-32(43-44(9,10)35(6,7)8)24(4)23(3)29-28(20-26-16-12-11-13-17-26)37-34(41)36(27,29)33(42-25(5)38)31(40)30(39)22(2)19-21/h11-14,16-18,21-23,27-33,39-40H,4,15,19-20H2,1-3,5-10H3,(H,37,41)/b18-14+/t21-,22-,23+,27-,28-,29-,30-,31+,32+,33+,36-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]2CS(=O)(=O)C[C@@H]2N1CC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C15H19NO4S/c1-10-14(15(17)18)12-8-21(19,20)9-13(12)16(10)7-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3,(H,17,18)/t10-,12-,13+,14-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4(C35C(O5)CC4C6=COC(=O)C=C6)C)OC(=O)CCCCCCC(=O)O
InChI: InChI=1S/C32H44O7/c1-30-15-13-22(38-29(36)8-6-4-3-5-7-27(33)34)17-21(30)10-11-24-23(30)14-16-31(2)25(18-26-32(24,31)39-26)20-9-12-28(35)37-19-20/h9,12,19,21-26H,3-8,10-11,13-18H2,1-2H3,(H,33,34)/t21-,22+,23?,24?,25?,26?,30+,31-,32?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@]3(O2)CCC[C@H]3O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H32N2O4Si/c1-13-12-21(17(23)20-16(13)22)15-9-11-19(24-15)10-7-8-14(19)25-26(5,6)18(2,3)4/h12,14-15H,7-11H2,1-6H3,(H,20,22,23)/t14-,15-,19+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(O4)CO)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)N7N1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C35H25Cl2F3N6O6/c36-20-8-6-18(7-9-20)34-24(30(48)45(31(34)49)42-29-25(37)14-19(16-41-29)35(38,39)40)15-26-23(28(34)27-11-10-22(17-47)52-27)12-13-43-32(50)44(33(51)46(26)43)21-4-2-1-3-5-21/h1-12,14,16,24,26,28,47H,13,15,17H2,(H,41,42)/t24-,26+,28+,34+/m0/s1
SMILES: CCC(=O)N(CCCOCC)[C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO
InChI: InChI=1S/C23H33IN2O6/c1-3-21(28)26(11-7-13-31-4-2)18-14-16(23(30)25-10-12-27)15-20(22(18)29)32-19-9-6-5-8-17(19)24/h5-6,8-9,15,18,20,22,27,29H,3-4,7,10-14H2,1-2H3,(H,25,30)/t18-,20+,22+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC=C4I)OC(O3)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C41H45IN2O9/c1-40(2,3)52-35(46)21-20-29(25-45)43-37(47)32-19-12-22-44(32)38(48)26-23-33(50-39(49)30-17-10-11-18-31(30)42)36-34(24-26)51-41(53-36,27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-11,13-18,24,29,32-34,36,45H,12,19-23,25H2,1-3H3,(H,43,47)/t29-,32+,33+,34+,36-/m0/s1
SMILES: CC1=CC[C@@H]([C@H](C1)C2=CC=CC=C2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C22H20N2O3/c1-14-11-12-16(19(13-14)15-7-3-2-4-8-15)20(25)23-24-21(26)17-9-5-6-10-18(17)22(24)27/h2-11,16,19H,12-13H2,1H3,(H,23,25)/t16-,19+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)O)C5=C(C=CC=C5OC)O
InChI: InChI=1S/C24H21NO7/c1-10-8-16(27)14-9-13-11(6-7-12-18(13)24(30)25(31)23(12)29)19(20(14)22(10)28)21-15(26)4-3-5-17(21)32-2/h3-6,8,12-13,18-19,26,31H,7,9H2,1-2H3/t12-,13+,18-,19-/m0/s1
SMILES: CCOC(=O)[C@]12[C@@H]3C[C@H]([C@H]1C(=O)[C@H]4[C@@H]2O4)C=C3
InChI: InChI=1S/C13H14O4/c1-2-16-12(15)13-7-4-3-6(5-7)8(13)9(14)10-11(13)17-10/h3-4,6-8,10-11H,2,5H2,1H3/t6-,7+,8+,10+,11+,13-/m1/s1
SMILES: C[C@H](/C=C/[C@H]1[C@]2(C[C@H]([C@@H]([C@@]1(CO2)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C)O
InChI: InChI=1S/C19H32O9/c1-9(21)4-5-12-18(2)8-26-19(12,3)6-10(22)16(18)28-17-15(25)14(24)13(23)11(7-20)27-17/h4-5,9-17,20-25H,6-8H2,1-3H3/b5-4+/t9-,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](/C=C(/C(=O)O1)\C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCC4=CC=CC=C4)C
InChI: InChI=1S/C39H60N2O9/c1-12-30-39(8)33(41(37(45)50-39)19-18-28-16-14-13-15-17-28)27(6)31(42)25(4)22-38(7,46-11)34(23(2)20-24(3)35(44)48-30)49-36-32(43)29(40(9)10)21-26(5)47-36/h13-17,20,23,25-27,29-30,32-34,36,43H,12,18-19,21-22H2,1-11H3/b24-20+/t23-,25+,26+,27-,29-,30+,32+,33+,34+,36-,38+,39+/m0/s1
SMILES: CC1=CC2=C(CCC[C@@H]3C2=NN([C@H]3C4=CC=CC=C4)C5=CC=CC=C5)C=C1
InChI: InChI=1S/C25H24N2/c1-18-15-16-19-11-8-14-22-24(23(19)17-18)26-27(21-12-6-3-7-13-21)25(22)20-9-4-2-5-10-20/h2-7,9-10,12-13,15-17,22,25H,8,11,14H2,1H3/t22-,25+/m1/s1
SMILES: C[C@@H]\1[C@@H](N[C@@H](C/C1=N\O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H18N4O5/c1-11-16(20-23)10-17(12-2-6-14(7-3-12)21(24)25)19-18(11)13-4-8-15(9-5-13)22(26)27/h2-9,11,17-19,23H,10H2,1H3/b20-16+/t11-,17-,18+/m0/s1
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=CC(=CC=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C25H26O6/c26-15-21-22(27)23(28)24(29)25(31-21)18-6-4-5-17(14-18)13-16-9-11-20(12-10-16)30-19-7-2-1-3-8-19/h1-12,14,21-29H,13,15H2/t21-,22-,23+,24-,25+/m1/s1
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)O
InChI: InChI=1S/C22H21NO7/c1-12-17(24)7-6-14-13(10-19(26)30-20(12)14)11-29-18(25)8-9-23-21(27)15-4-2-3-5-16(15)22(23)28/h2-3,6-7,10,15-16,24H,4-5,8-9,11H2,1H3/t15-,16-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)OCC(C)C
InChI: InChI=1S/C21H25NO4/c1-13(2)11-25-20(24)17-16-9-10-21(26-16)12-22(19(23)18(17)21)14(3)15-7-5-4-6-8-15/h4-10,13-14,16-18H,11-12H2,1-3H3/t14-,16-,17+,18+,21-/m1/s1
SMILES: C[C@@H]1CC2=C(C=CC(=C2)OC(=O)C)[C@@H]3[C@@H]1[C@@H]4CC(C(=O)[C@]4(CC3)C)Cl
InChI: InChI=1S/C21H25ClO3/c1-11-8-13-9-14(25-12(2)23)4-5-15(13)16-6-7-21(3)17(19(11)16)10-18(22)20(21)24/h4-5,9,11,16-19H,6-8,10H2,1-3H3/t11-,16-,17+,18?,19-,21+/m1/s1
SMILES: CC1=CC=CC=C1N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=C(C(=C(S4)C)C)C(=O)OC)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C26H22Cl2N2O5S/c1-12-7-5-6-8-18(12)30-21(16-10-9-15(27)11-17(16)28)20-22(35-30)24(32)29(23(20)31)25-19(26(33)34-4)13(2)14(3)36-25/h5-11,20-22H,1-4H3/t20-,21+,22+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C(=C4CC[C@H]3[C@@]15C[C@H]5C[C@@H]2O)Cl
InChI: InChI=1S/C19H25ClO2/c1-18-7-6-12-11-3-5-15(21)17(20)13(11)2-4-14(12)19(18)9-10(19)8-16(18)22/h10-12,14,16,22H,2-9H2,1H3/t10-,11-,12-,14-,16+,18-,19+/m1/s1
SMILES: CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C=C2O)CCCC(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C27H40O8/c1-14(2)18-9-8-15(3)10-19(18)23-20(29)11-17(12-21(23)30)7-5-6-16(4)34-27-26(33)25(32)24(31)22(13-28)35-27/h10-12,16,18-19,22,24-33H,1,5-9,13H2,2-4H3/t16?,18?,19?,22-,24-,25+,26-,27-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CN(C6=CC=CC=C65)C(=O)C)CCCO
InChI: InChI=1S/C36H34ClN3O7/c1-4-46-36-26(9-7-15-41)27(29-19-39(21(3)42)31-10-6-5-8-24(29)31)18-32(47-36)33(43)38-23-12-14-30(20(2)16-23)40-34(44)25-13-11-22(37)17-28(25)35(40)45/h5-6,8,10-14,16-19,26-27,36,41H,4,7,9,15H2,1-3H3,(H,38,43)/t26-,27-,36+/m1/s1
SMILES: CC1(O[C@H]2[C@H](C[C@@H](C(=C)[C@H]2O1)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C16H30O4Si/c1-10-11(17)9-12(20-21(7,8)15(2,3)4)14-13(10)18-16(5,6)19-14/h11-14,17H,1,9H2,2-8H3/t11-,12-,13+,14-/m0/s1
SMILES: CC(C)CC(=O)O[C@H]1[C@@]2(CC[C@@H](C2(C)C)C13CC4=CC=CC=C4C3)C
InChI: InChI=1S/C23H32O2/c1-15(2)12-19(24)25-20-22(5)11-10-18(21(22,3)4)23(20)13-16-8-6-7-9-17(16)14-23/h6-9,15,18,20H,10-14H2,1-5H3/t18-,20-,22-/m0/s1
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)OC3=CN=C(C=C3)NC(=O)N[C@@H]4[C@H]5[C@@H]4C6=C(C=CC(=C6OC5)F)F
InChI: InChI=1S/C26H22F2N4O4/c27-18-8-9-19(28)24-22(18)21-17(12-35-24)23(21)32-26(34)31-20-10-7-16(11-29-20)36-15-5-1-13(2-6-15)25(33)30-14-3-4-14/h1-2,5-11,14,17,21,23H,3-4,12H2,(H,30,33)(H2,29,31,32,34)/t17-,21-,23-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSCC2=CC=C(C=C2)Cl
InChI: InChI=1S/C17H24ClNOS/c1-12-4-3-5-16(13(12)2)19-17(20)11-21-10-14-6-8-15(18)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,19,20)/t12-,13+,16-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(=O)O4
InChI: InChI=1S/C17H20O9S/c1-9-4-6-10(7-5-9)27(19,20)26-13-12(11-8-21-16(18)22-11)23-15-14(13)24-17(2,3)25-15/h4-7,11-15H,8H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]1[C@]([C@@]3(C=C(CO[C@@]3([C@@H]2C)O)C)O)(C(=O)[C@@H](C)C[C@H]4[C@@H](C=C(C4=O)C)O)O
InChI: InChI=1S/C25H36O7/c1-12-10-23(29)24(30,22(28)15(4)8-18-19(26)9-14(3)21(18)27)20-13(2)6-7-17(20)16(5)25(23,31)32-11-12/h9-10,13,15-20,26,29-31H,6-8,11H2,1-5H3/t13-,15+,16-,17-,18+,19-,20+,23-,24-,25-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5
InChI: InChI=1S/C25H27N3O3/c29-23(27-16-14-26(15-17-27)19-6-2-1-3-7-19)18-10-12-20(13-11-18)28-24(30)21-8-4-5-9-22(21)25(28)31/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2/t21-,22-/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC)CCC3=C[C@@H](CC4=CC=CC=C4C3)C)OC(=O)C
InChI: InChI=1S/C44H62O13/c1-13-26(2)22-27(3)18-19-33(46)53-35-34(52-29(5)45)42(21-20-30-23-28(4)24-31-16-14-15-17-32(31)25-30)54-36(37(47)51-12)43(50,38(48)55-40(6,7)8)44(35,57-42)39(49)56-41(9,10)11/h14-19,23,26-28,34-36,50H,13,20-22,24-25H2,1-12H3/b19-18+/t26-,27+,28-,34+,35+,36+,42-,43+,44-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)C)C
InChI: InChI=1S/C16H26O4/c1-9-5-6-13-10(2)11(3)17-14-16(13)12(9)7-8-15(4,18-14)19-20-16/h9-14H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15?,16-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=C(C=CC=C4Cl)F
InChI: InChI=1S/C19H15ClFNO2/c20-14-5-2-6-15(21)17(14)18-12-4-1-3-11(12)13-9-10(19(23)24)7-8-16(13)22-18/h1-3,5-9,11-12,18,22H,4H2,(H,23,24)/p-1/t11-,12-,18-/m0/s1
SMILES: CC(=O)OC1=C2C=CC(=CC2=C(C=C1)OC(=O)C)CC[C@@H]3[C@]4(CCC[C@]([C@@H]4CC[C@@]35CO5)(C)C(=O)OC)C
InChI: InChI=1S/C31H38O7/c1-19(32)37-24-10-11-25(38-20(2)33)23-17-21(7-9-22(23)24)8-12-27-29(3)14-6-15-30(4,28(34)35-5)26(29)13-16-31(27)18-36-31/h7,9-11,17,26-27H,6,8,12-16,18H2,1-5H3/t26-,27-,29+,30+,31-/m1/s1
SMILES: CC(=C[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)[N+](=O)[O-])C
InChI: InChI=1S/C15H16N2O2/c1-9(2)6-12-11-4-3-5-13-15(11)10(8-16-13)7-14(12)17(18)19/h3-6,8,12,14,16H,7H2,1-2H3/t12-,14-/m1/s1
SMILES: C1C[C@@H]([C@@H](C1)OCC2=CC=CC=C2)NC(=O)OC[C@@H]3[C@H](C(C(O3)N4C=NC5=C(N=CN=C54)NC6CCOC6)O)O
InChI: InChI=1S/C27H34N6O7/c34-22-20(13-39-27(36)32-18-7-4-8-19(18)38-11-16-5-2-1-3-6-16)40-26(23(22)35)33-15-30-21-24(28-14-29-25(21)33)31-17-9-10-37-12-17/h1-3,5-6,14-15,17-20,22-23,26,34-35H,4,7-13H2,(H,32,36)(H,28,29,31)/t17?,18-,19+,20+,22+,23?,26?/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O
InChI: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
SMILES: C[C@]12CCCC(C1CC[C@H]([C@@H]2COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)(C)C
InChI: InChI=1S/C28H34O4/c1-27(2)17-10-18-28(3)22(19-31-25(29)20-11-6-4-7-12-20)23(15-16-24(27)28)32-26(30)21-13-8-5-9-14-21/h4-9,11-14,22-24H,10,15-19H2,1-3H3/t22-,23+,24?,28+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C28H32O6/c29-20-28(31)16-24(30)25(32-17-21-10-4-1-5-11-21)26(33-18-22-12-6-2-7-13-22)27(28)34-19-23-14-8-3-9-15-23/h1-15,24-27,29-31H,16-20H2/t24-,25-,26+,27-,28-/m0/s1
SMILES: C/C/1=C/CC/C(=C\C=C(/[C@H]([C@@H](/C(=C\CC1)/C)O)O)\C(C)C)/C
InChI: InChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3/b15-8-,16-12-,17-11-,18-13-/t19-,20-/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=C[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
InChI: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-22,24,26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,26-,27-,28+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C19H21FN2O5/c20-13-7-5-12(6-8-13)9-21-16(23)11-27-17(24)10-22-18(25)14-3-1-2-4-15(14)19(22)26/h5-8,14-15H,1-4,9-11H2,(H,21,23)/t14-,15-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C[C@@H]2C[C@H](NC2)C(=O)OC)C(C)C
InChI: InChI=1S/C18H31NO4/c1-11(2)14-6-5-12(3)7-16(14)23-17(20)9-13-8-15(19-10-13)18(21)22-4/h11-16,19H,5-10H2,1-4H3/t12-,13-,14+,15-,16-/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)C4=CC=CC(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O
InChI: InChI=1S/C45H41F5N4O5/c1-25-35(23-53-19-17-32(18-20-53)54-34-8-3-2-7-33(34)52-45(54)57)58-44(59-42(25)29-11-9-26(24-55)10-12-29)30-15-13-28(14-16-30)31-6-4-5-27(21-31)22-51-43(56)36-37(46)39(48)41(50)40(49)38(36)47/h2-16,21,25,32,35,42,44,55H,17-20,22-24H2,1H3,(H,51,56)(H,52,57)/t25-,35+,42+,44+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)O
InChI: InChI=1S/C14H12N4O2S/c1-20-11-4-7(2-3-10(11)19)12-8(5-15)13(17)21-14(18)9(12)6-16/h2-4,8,12,17,19H,18H2,1H3/t8-,12+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=O)C=N[C@H]3CCCC[C@H]3[NH3+])C
InChI: InChI=1S/C19H24N4O3/c1-11-7-8-13(9-12(11)2)23-18(25)14(17(24)22-19(23)26)10-21-16-6-4-3-5-15(16)20/h7-10,14-16H,3-6,20H2,1-2H3,(H,22,24,26)/p+1/t14-,15-,16+/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)NC(=O)C(Cl)(Cl)Cl)CN4C=NC(=C4Cl)Cl
InChI: InChI=1S/C24H22Cl5N3O4/c1-13-18(10-32-12-30-20(25)21(32)26)35-22(36-19(13)15-7-5-14(11-33)6-8-15)16-3-2-4-17(9-16)31-23(34)24(27,28)29/h2-9,12-13,18-19,22,33H,10-11H2,1H3,(H,31,34)/t13-,18+,19+,22+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](C)(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C33H39NO3/c1-24-20-21-28(32(2,3)27-18-12-7-13-19-27)29(22-24)37-31(36)33(4,23-25-14-8-5-9-15-25)34-30(35)26-16-10-6-11-17-26/h5-19,24,28-29H,20-23H2,1-4H3,(H,34,35)/t24-,28-,29-,33+/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@@]3([C@H]2O3)CO)OCC=C)O
InChI: InChI=1S/C17H22O6/c1-3-8-21-15-13(19)14(16-17(15,10-18)23-16)22-9-11-4-6-12(20-2)7-5-11/h3-7,13-16,18-19H,1,8-10H2,2H3/t13-,14-,15+,16+,17-/m1/s1
SMILES: COC(=O)C1=C[C@@H]([C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)O)N=[N+]=[N-]
InChI: InChI=1S/C15H15N3O5/c1-22-14(20)10-7-11(17-18-16)13(19)12(8-10)23-15(21)9-5-3-2-4-6-9/h2-7,11-13,19H,8H2,1H3/t11-,12+,13+/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCC5=N4
InChI: InChI=1S/C21H20N4O3/c1-12-9-16(12)18-7-5-14(28-18)11-22-24-20(26)13-4-6-15-17(10-13)23-19-3-2-8-25(19)21(15)27/h4-7,10-12,16H,2-3,8-9H2,1H3,(H,24,26)/b22-11-/t12-,16-/m0/s1
SMILES: CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C23H21NO4/c1-11(2)20(23(27)28)24-21(25)18-16-12-7-3-4-8-13(12)17(19(18)22(24)26)15-10-6-5-9-14(15)16/h3-11,16-20H,1-2H3,(H,27,28)/p-1/t16?,17?,18-,19+,20-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)S(=O)(=O)C)O)C(=C5)C(=O)C8=CC=CC=C8C9=CC=CC=C9)O)C
InChI: InChI=1S/C46H59NO5S/c1-41(2)32-16-15-31(36(41)25-32)28-47(53(5,51)52)29-45(50)22-19-39-43(45,4)21-18-38-42(3)20-17-33(48)26-44(42)23-24-46(38,39)37(27-44)40(49)35-14-10-9-13-34(35)30-11-7-6-8-12-30/h6-14,23-24,27,31-33,36,38-39,48,50H,15-22,25-26,28-29H2,1-5H3/t31-,32-,33?,36-,38+,39+,42+,43-,44-,45+,46+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)/C=C/C(=O)N2CC[C@@]3(CCCC[C@@H]3C2)O
InChI: InChI=1S/C20H27NO2/c1-15-6-7-16(2)17(13-15)8-9-19(22)21-12-11-20(23)10-4-3-5-18(20)14-21/h6-9,13,18,23H,3-5,10-12,14H2,1-2H3/b9-8+/t18-,20-/m1/s1