EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C(=C\CO)/C(=O)NCCCCNC(=O)[C@@H]1[C@H]([C@@]2([C@@H]([C@]1(OC3=C2C(=CC(=C3)OC)OC)C4=CC=C(C=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=CC=C6
InChI: InChI=1S/C42H52N2O14/c1-23(16-19-45)37(50)43-17-8-9-18-44-38(51)33-31(24-10-6-5-7-11-24)41(52)32-28(55-4)20-27(54-3)21-29(32)58-42(33,25-12-14-26(53-2)15-13-25)40(41)57-39-36(49)35(48)34(47)30(22-46)56-39/h5-7,10-16,20-21,30-31,33-36,39-40,45-49,52H,8-9,17-19,22H2,1-4H3,(H,43,50)(H,44,51)/b23-16+/t30-,31-,33+,34-,35+,36-,39+,40+,41-,42+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC2=CC(=C(C=C2OC)OC)Cl
InChI: InChI=1S/C18H27ClN2O3/c1-11-7-5-6-8-14(11)21-18(22)12(2)20-15-9-13(19)16(23-3)10-17(15)24-4/h9-12,14,20H,5-8H2,1-4H3,(H,21,22)/t11-,12+,14-/m0/s1
SMILES: [CH2-][C@@H]1CCC2=C3CCC[C@@H]3C[C@@]12[N-]C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]
InChI: InChI=1S/C18H21N.2C5H5.Zr/c1-13-10-11-17-16-9-5-6-14(16)12-18(13,17)19-15-7-3-2-4-8-15;2*1-2-4-5-3-1;/h2-4,7-8,13-14H,1,5-6,9-12H2;2*1-5H;/q-2;;;+2/t13-,14-,18-;;;/m1.../s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]([C@]5(C[C@H]5C(C)C)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C46H55NO14/c1-23(2)29-20-44(29,47-39(53)27-15-11-9-12-16-27)37(52)41(55)59-30-21-46(56)38(60-40(54)28-17-13-10-14-18-28)35-43(8,31(50)19-32-45(35,22-57-32)61-26(5)49)36(51)34(58-25(4)48)33(24(30)3)42(46,6)7/h9-18,23,29-32,34-35,37-38,50,52,56H,19-22H2,1-8H3,(H,47,53)/t29-,30-,31+,32+,34+,35-,37+,38-,43+,44+,45-,46+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@H]([C@H]1[C@@](CCC2=O)(C)O)O)C(C)(C)O
InChI: InChI=1S/C15H26O4/c1-13(2,18)9-5-7-14(3)10(16)6-8-15(4,19)12(14)11(9)17/h9,11-12,17-19H,5-8H2,1-4H3/t9-,11-,12-,14+,15+/m1/s1
SMILES: CCOC(=O)C1=C([C@@]([C@@H]([C@H]1C2=CC=CO2)C3=CC=CO3)(C#N)C(=O)OCC)N
InChI: InChI=1S/C20H20N2O6/c1-3-25-18(23)15-14(12-7-5-9-27-12)16(13-8-6-10-28-13)20(11-21,17(15)22)19(24)26-4-2/h5-10,14,16H,3-4,22H2,1-2H3/t14-,16+,20-/m0/s1
SMILES: CCOC(=O)[C@@H]1CN(C[C@H]1C2=CC=C(C=C2)Br)CC3=CC=CC=C3
InChI: InChI=1S/C20H22BrNO2/c1-2-24-20(23)19-14-22(12-15-6-4-3-5-7-15)13-18(19)16-8-10-17(21)11-9-16/h3-11,18-19H,2,12-14H2,1H3/t18-,19+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)OC
InChI: InChI=1S/C17H26N2O4S/c1-11-6-5-7-15(12(11)2)19-24(21,22)14-8-9-16(18-13(3)20)17(10-14)23-4/h8-12,15,19H,5-7H2,1-4H3,(H,18,20)/t11-,12-,15+/m1/s1
SMILES: CC(C)NC(=O)OC/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C19H22N6O7S2/c1-8(2)21-19(30)32-5-3-4-9-6-33-16-12(15(27)25(16)13(9)17(28)29)23-14(26)11(24-31)10-7-34-18(20)22-10/h3-4,7-8,12,16,31H,5-6H2,1-2H3,(H2,20,22)(H,21,30)(H,23,26)(H,28,29)/b4-3-,24-11-/t12-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)O[C@H](C(=O)N4)C
InChI: InChI=1S/C20H24N4O5/c1-11-5-3-4-8-20(11)18(27)24(19(28)23-20)10-16(25)21-13-6-7-15-14(9-13)22-17(26)12(2)29-15/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,28)/t11-,12-,20-/m0/s1
SMILES: CCCN(CCC1=CC=CC=C1)C(=O)[C@H]2[C@@H]([C@@H](C=C(O2)C(=O)O)O)NC(=O)C
InChI: InChI=1S/C20H26N2O6/c1-3-10-22(11-9-14-7-5-4-6-8-14)19(25)18-17(21-13(2)23)15(24)12-16(28-18)20(26)27/h4-8,12,15,17-18,24H,3,9-11H2,1-2H3,(H,21,23)(H,26,27)/t15-,17-,18-/m1/s1
SMILES: CC([C@@H]1CC[C@@H]2[C@H]1[C@H](CC2=O)C(=O)OC)(OC)OC
InChI: InChI=1S/C14H22O5/c1-14(18-3,19-4)10-6-5-8-11(15)7-9(12(8)10)13(16)17-2/h8-10,12H,5-7H2,1-4H3/t8-,9-,10+,12-/m0/s1
SMILES: CC(=O)NC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)NCC[NH+](C)C)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C22H36N4O4S/c1-13(28)24-20-25-19-14(10-18(30)23-8-9-26(4)5)21(2)7-6-17(29)22(3,12-27)16(21)11-15(19)31-20/h14,16-17,27,29H,6-12H2,1-5H3,(H,23,30)(H,24,25,28)/p+1/t14-,16+,17-,21+,22+/m1/s1
SMILES: C[C@@]12CC[C@@]34CCC([C@@H]([C@@H]3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)OC4=O)(C)C
InChI: InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22+,23-,27+,28-,29-,30+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)SC)[C@@H](CO[Si](C)(C)C)C=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H39NO3SSi2/c1-12-15(13-22-25(7,8)9)17-16(18(21)20(17)24-6)14(2)23-26(10,11)19(3,4)5/h12,14-17H,1,13H2,2-11H3/t14-,15-,16-,17-/m1/s1
SMILES: CC[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)OC)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H24N2O5/c1-5-19(18(24)26-4)14-13(16(22)21(6-2)17(14)23)15(20-19)11-7-9-12(25-3)10-8-11/h7-10,13-15,20H,5-6H2,1-4H3/p+1/t13-,14-,15-,19-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C3N2C(=CC(=N3)C)C
InChI: InChI=1S/C17H25N5OS/c1-10-6-5-7-14(13(10)4)19-15(23)9-24-17-21-20-16-18-11(2)8-12(3)22(16)17/h8,10,13-14H,5-7,9H2,1-4H3,(H,19,23)/t10-,13+,14+/m1/s1
SMILES: CCC[C@@H]1[C@H](C=C([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)CC)CC
InChI: InChI=1S/C38H53NO3SSi/c1-8-18-36-31(9-2)29-32(10-3)37(39(36)43(40,41)33-26-24-30(4)25-27-33)23-17-28-42-44(38(5,6)7,34-19-13-11-14-20-34)35-21-15-12-16-22-35/h11-16,19-22,24-27,29,31,36-37H,8-10,17-18,23,28H2,1-7H3/t31-,36+,37-/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)C5=CC=C(C=C5)Br)C6=CC(=CC=C6)O
InChI: InChI=1S/C29H22BrNO5/c1-14-11-23(33)22-13-21-19(24(26(22)27(14)34)15-3-2-4-18(32)12-15)9-10-20-25(21)29(36)31(28(20)35)17-7-5-16(30)6-8-17/h2-9,11-12,20-21,24-25,32H,10,13H2,1H3/t20-,21+,24-,25-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H](C2=C([C@@H]1NC3=NC4=C(C(=N3)OCC=C)N=CN4[C@H]5C[C@@H]([C@H](O5)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C6=C(C=CC7=CC=CC=C76)C=C2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C49H65N5O10Si2/c1-15-24-58-46-41-45(54(27-50-41)37-25-35(64-66(13,14)49(8,9)10)36(63-37)26-59-65(11,12)48(5,6)7)52-47(53-46)51-40-39-34(23-22-32-21-20-31-18-16-17-19-33(31)38(32)39)42(60-28(2)55)44(62-30(4)57)43(40)61-29(3)56/h15-23,27,35-37,40,42-44H,1,24-26H2,2-14H3,(H,51,52,53)/t35-,36+,37+,40-,42+,43-,44-/m0/s1
SMILES: C1CC1[C@@H]2CNC(=O)N([C@H]2C3=CC(=C(C=C3)F)F)C(=O)NCCCN4CCC(CC4)C5=CC=C(C=C5)F
InChI: InChI=1S/C28H33F3N4O2/c29-22-7-4-18(5-8-22)19-10-14-34(15-11-19)13-1-12-32-27(36)35-26(21-6-9-24(30)25(31)16-21)23(20-2-3-20)17-33-28(35)37/h4-9,16,19-20,23,26H,1-3,10-15,17H2,(H,32,36)(H,33,37)/t23-,26-/m0/s1
SMILES: [2H]C([2H])([2H])C/C=C\C[C@@H]1[C@H](CCC12OCC(CO2)(C)C)CC(=O)OC
InChI: InChI=1S/C18H30O4/c1-5-6-7-8-15-14(11-16(19)20-4)9-10-18(15)21-12-17(2,3)13-22-18/h6-7,14-15H,5,8-13H2,1-4H3/b7-6-/t14-,15-/m1/s1/i1D3
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC(=O)NC4=CC(=C(C=C4)C)C
InChI: InChI=1S/C22H23N5O4/c1-4-31-17-9-7-16(8-10-17)27-21(29)19-20(22(27)30)26(25-24-19)12-18(28)23-15-6-5-13(2)14(3)11-15/h5-11,19-20H,4,12H2,1-3H3,(H,23,28)/t19-,20+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C6=CC=C(C=C6)CO
InChI: InChI=1S/C38H49N3O6S/c1-38(2,3)39-36(43)34-22-19-27-9-7-8-12-33(27)41(34)24-31-23-35(28-15-13-26(25-42)14-16-28)47-37(46-31)29-17-20-30(21-18-29)40-48(44,45)32-10-5-4-6-11-32/h4-6,10-11,13-18,20-21,27,31,33-35,37,40,42H,7-9,12,19,22-25H2,1-3H3,(H,39,43)/t27-,31+,33-,34-,35-,37-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C
InChI: InChI=1S/C22H30N4O2S/c1-14-7-6-10-19(15(14)2)23-22(29)25-24-21(28)13-20-18-9-5-4-8-17(18)11-12-26(20)16(3)27/h4-5,8-9,11-12,14-15,19-20H,6-7,10,13H2,1-3H3,(H,24,28)(H2,23,25,29)/t14-,15+,19+,20+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H20N4O5/c1-11-5-2-3-8-17(11)15(23)20(16(24)19-17)10-14(22)18-12-6-4-7-13(9-12)21(25)26/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,18,22)(H,19,24)/t11-,17+/m0/s1
SMILES: CC1=CC2=C(C=C1C)OC(=O)C=C2COC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H21NO6/c1-12-7-17-14(9-19(24)29-18(17)8-13(12)2)11-28-20(25)10-23-21(26)15-5-3-4-6-16(15)22(23)27/h3-4,7-9,15-16H,5-6,10-11H2,1-2H3/t15-,16-/m0/s1
SMILES: CC(=C)C(=O)O[C@H]1CC(=C)C[C@]2(CC(=C)[C@H](O2)[C@@H]3[C@@H]1C(=C)C(=O)O3)O
InChI: InChI=1S/C19H22O6/c1-9(2)17(20)23-13-6-10(3)7-19(22)8-11(4)15(25-19)16-14(13)12(5)18(21)24-16/h13-16,22H,1,3-8H2,2H3/t13-,14+,15-,16-,19-/m0/s1
SMILES: COC1=CC(=CC(=C1)[C@@H]2[C@H](N3C=CC4=CC=CC=C4[C@@H]3C2(C#N)C#N)C(=O)C5=CC=CC=C5)OC
InChI: InChI=1S/C29H23N3O3/c1-34-22-14-21(15-23(16-22)35-2)25-26(27(33)20-9-4-3-5-10-20)32-13-12-19-8-6-7-11-24(19)28(32)29(25,17-30)18-31/h3-16,25-26,28H,1-2H3/t25-,26+,28-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(N2N)C3=CC(=CC=C3)F
InChI: InChI=1S/C19H26FN5OS/c1-11-6-4-9-16(12(11)2)22-18(26)13(3)27-19-24-23-17(25(19)21)14-7-5-8-15(20)10-14/h5,7-8,10-13,16H,4,6,9,21H2,1-3H3,(H,22,26)/t11-,12+,13+,16+/m0/s1
SMILES: CC(C)(C)C(C)(C)O[Si](OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=C(N=C32)C4=CC=C(S4)I)N)O[Si](OC(C)(C)C(C)(C)C)OC(C)(C)C(C)(C)C)O[Si](OC(C)(C)C(C)(C)C)OC(C)(C)C(C)(C)C)OC(C)(C)C(C)(C)C
InChI: InChI=1S/C56H101IN5O10SSi3/c1-45(2,3)51(19,20)67-74(68-52(21,22)46(4,5)6)63-33-35-39(65-75(69-53(23,24)47(7,8)9)70-54(25,26)48(10,11)12)40(66-76(71-55(27,28)49(13,14)15)72-56(29,30)50(16,17)18)44(64-35)62-34-59-38-41(58)60-42(61-43(38)62)36-31-32-37(57)73-36/h31-32,34-35,39-40,44H,33H2,1-30H3,(H2,58,60,61)/t35-,39-,40-,44?/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1C[C@@H]([C@H](O[C@@]1(C)[C@@H](CC=C)OCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C41H58O5Si/c1-9-19-39(44-29-36-24-17-12-18-25-36)41(8)40(46-47(31(2)3,32(4)5)33(6)7)26-37(43-28-35-22-15-11-16-23-35)38(45-41)30-42-27-34-20-13-10-14-21-34/h9-18,20-25,31-33,37-40H,1,19,26-30H2,2-8H3/t37-,38+,39+,40+,41-/m0/s1
SMILES: CC(=O)O[C@@H]1C=C[C@@H]2[C@H]([C@H]1OC(=O)C)OC3(O2)CCCCC3
InChI: InChI=1S/C16H22O6/c1-10(17)19-12-6-7-13-15(14(12)20-11(2)18)22-16(21-13)8-4-3-5-9-16/h6-7,12-15H,3-5,8-9H2,1-2H3/t12-,13-,14+,15-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@H]3[C@H]2COC(=O)N)N4)OC
InChI: InChI=1S/C15H17N3O5/c1-5-12(19)11-8(13(20)14(5)22-2)6(4-23-15(16)21)10-9-7(17-9)3-18(10)11/h6-7,9-10,17H,3-4H2,1-2H3,(H2,16,21)/t6-,7-,9-,10-/m0/s1
SMILES: C[C@H]1C[C@H](C[C@@H](O1)C[C@@H]2[C@@H]([C@H](OC(O2)C3=CC=CC=C3)[C@H](C)C(=O)N4[C@H](COC4=O)CC5=CC=CC=C5)C)OC
InChI: InChI=1S/C32H41NO7/c1-20-15-26(36-4)17-27(38-20)18-28-21(2)29(40-31(39-28)24-13-9-6-10-14-24)22(3)30(34)33-25(19-37-32(33)35)16-23-11-7-5-8-12-23/h5-14,20-22,25-29,31H,15-19H2,1-4H3/t20-,21-,22-,25-,26+,27+,28+,29-,31?/m0/s1
SMILES: C/C=C\COC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)F
InChI: InChI=1S/C16H17FN2O3/c1-3-4-9-22-15(20)13-10(2)18-16(21)19-14(13)11-5-7-12(17)8-6-11/h3-8,13-14H,2,9H2,1H3,(H2,18,19,21)/b4-3-/t13-,14-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(CCC(=O)[C@H]4O5)C
InChI: InChI=1S/C19H26O3/c1-17-8-6-13-11(12(17)3-4-15(17)21)5-10-19-16(22-19)14(20)7-9-18(13,19)2/h11-13,16H,3-10H2,1-2H3/t11-,12-,13-,16+,17-,18+,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)O[C@H]1/C=C\C2=CC=CC=C2
InChI: InChI=1S/C19H26O3Si/c1-19(2,3)23(4,5)22-17-13-14-18(20)21-16(17)12-11-15-9-7-6-8-10-15/h6-14,16-17H,1-5H3/b12-11-/t16-,17-/m0/s1
SMILES: COC(=O)C1[C@H]2[C@@H]1CC34C[C@@H]5[C@@H](C5C(=O)OC)CC3(C2)O4
InChI: InChI=1S/C16H20O5/c1-19-13(17)11-7-3-15-5-9-10(12(9)14(18)20-2)6-16(15,21-15)4-8(7)11/h7-12H,3-6H2,1-2H3/t7-,8+,9+,10-,11?,12?,15?,16?
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C21H25NO7/c1-27-20(25)14-5-6-16(21(26)28-2)17(9-14)22-18(23)11-29-19(24)10-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,22,23)/t12-,13-,15+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl
InChI: InChI=1S/C18H15ClN2O2/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(21(22)23)8-9-17(15)20-18/h1-5,7-10,12-13,18,20H,6H2/t12-,13+,18-/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)[C@]5(C1=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC(=CC=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCC1=NC2=CC=CC=C2N1
InChI: InChI=1S/C56H48N8O9/c1-70-30-31-72-55(69)63-44-26-25-35(14-13-27-62-45-24-11-10-23-43(45)60-61-62)32-40(44)56(54(63)68)47(52(66)57-34-46-58-41-21-8-9-22-42(41)59-46)49-53(67)73-50(37-17-6-3-7-18-37)48(36-15-4-2-5-16-36)64(49)51(56)38-19-12-20-39(33-38)71-29-28-65/h2-12,15-26,32-33,47-51,65H,27-31,34H2,1H3,(H,57,66)(H,58,59)/t47-,48-,49-,50+,51+,56-/m0/s1
SMILES: CC(=O)N([C@H]1C[C@@H]([C@]2([C@@H]1C2)COCC3=CC=CC=C3)O)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H25NO4/c1-16(25)24(22(27)18-10-6-3-7-11-18)20-12-21(26)23(13-19(20)23)15-28-14-17-8-4-2-5-9-17/h2-11,19-21,26H,12-15H2,1H3/t19-,20+,21+,23+/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H18ClNO4/c1-13-2-11-18-19(12-13)21(26)24(20(18)25)16-7-9-17(10-8-16)28-22(27)14-3-5-15(23)6-4-14/h2-10,18-19H,11-12H2,1H3/t18-,19-/m1/s1
SMILES: CC(=O)O[C@H]1CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C(=C4CCC23)Br)C5=CC=C(C=C5)/C=N/O)C
InChI: InChI=1S/C27H30BrNO4/c1-15(30)33-24-12-10-22-20-8-7-19-18(9-11-23(31)26(19)28)25(20)21(13-27(22,24)2)17-5-3-16(4-6-17)14-29-32/h3-6,14,20-22,24,32H,7-13H2,1-2H3/b29-14+/t20?,21-,22?,24+,27+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCCC3=CC=C(C=C3)F
InChI: InChI=1S/C19H23FN2O3/c20-14-7-5-13(6-8-14)9-11-21-17(23)10-12-22-18(24)15-3-1-2-4-16(15)19(22)25/h5-8,15-16H,1-4,9-12H2,(H,21,23)/t15-,16+
SMILES: C=C1[C@@H]([C@H]1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5
InChI: InChI=1S/C28H34N4O2/c1-22-25(27(33)31-16-12-29(13-17-31)20-23-8-4-2-5-9-23)26(22)28(34)32-18-14-30(15-19-32)21-24-10-6-3-7-11-24/h2-11,25-26H,1,12-21H2/t25-,26-/m0/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CCC(C(=O)OC)C(=O)OC)NC5=O)C7=CC(=CC=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)OC
InChI: InChI=1S/C54H51N3O12/c1-64-42-29-35-23-24-56(31-37(35)30-43(42)65-2)49(59)44-46-52(62)69-47(34-16-9-6-10-17-34)45(33-14-7-5-8-15-33)57(46)48(36-18-12-19-38(28-36)68-26-25-58)54(44)40-27-32(21-22-41(40)55-53(54)63)13-11-20-39(50(60)66-3)51(61)67-4/h5-10,12,14-19,21-22,27-30,39,44-48,58H,20,23-26,31H2,1-4H3,(H,55,63)/t44-,45-,46-,47+,48+,54-/m1/s1
SMILES: C[C@@]12[C@@H]3C[C@H](C[C@@]3(C(=O)N1[C@H](CO2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)[Si](C)(C)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C45H45NO4Si/c1-43-40-29-38(51(2,3)45(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37)30-44(40,42(48)49-31-33-19-9-4-10-20-33)41(47)46(43)39(32-50-43)34-21-11-5-12-22-34/h4-28,38-40H,29-32H2,1-3H3/t38-,39-,40+,43-,44-/m1/s1
SMILES: CC1=CC(=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=CC=C4)I
InChI: InChI=1S/C19H18IN/c1-12-10-14(20)11-17-15-8-5-9-16(15)19(21-18(12)17)13-6-3-2-4-7-13/h2-8,10-11,15-16,19,21H,9H2,1H3/t15-,16+,19-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C20H23N3O2S/c1-12(24)21-17-6-4-14(5-7-17)18-11-26-20(22-18)23-19(25)10-16-9-13-2-3-15(16)8-13/h4-7,11,13,15-16H,2-3,8-10H2,1H3,(H,21,24)(H,22,23,25)/t13-,15+,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[13CH2]CC2=CC=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H30O12/c1-13(25)31-12-20-21(33-15(3)27)22(34-16(4)28)23(35-17(5)29)24(36-20)30-11-10-18-6-8-19(9-7-18)32-14(2)26/h6-9,20-24H,10-12H2,1-5H3/t20-,21-,22+,23-,24-/m1/s1/i11+1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C24H23ClN2O3/c1-13-10-14(2)12-17(11-13)27-23(29)19-18-4-3-9-26(18)21(20(19)24(27)30)22(28)15-5-7-16(25)8-6-15/h5-8,10-12,18-21H,3-4,9H2,1-2H3/p+1/t18-,19+,20-,21+/m1/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1CC4=CC=CO4)C(=O)NCC5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H19ClN2O4/c22-14-5-3-13(4-6-14)10-23-19(25)17-16-7-8-21(28-16)12-24(20(26)18(17)21)11-15-2-1-9-27-15/h1-9,16-18H,10-12H2,(H,23,25)/t16-,17-,18-,21-/m1/s1
SMILES: CCN(CC)C[C@@H]1[C@@]2([C@H]([C@@H](O1)N3C=C(C(=O)N(C3=O)C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI: InChI=1S/C23H40N4O7SSi/c1-10-26(11-2)13-17-23(16(24)14-35(30,31)34-23)18(33-36(8,9)22(4,5)6)20(32-17)27-12-15(3)19(28)25(7)21(27)29/h12,14,17-18,20H,10-11,13,24H2,1-9H3/t17-,18+,20-,23-/m1/s1
SMILES: CCC[C@@H]1[C@@]([C@H]2[C@H](CN([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)CCC)C)(C)O
InChI: InChI=1S/C37H66N2O9/c1-13-15-29-37(10,43)32-23(4)19-39(16-14-2)24(5)18-36(9,45-21-22(3)20-44-32)33(26(7)30(40)27(8)34(42)47-29)48-35-31(41)28(38(11)12)17-25(6)46-35/h23-29,31-33,35,41,43H,3,13-21H2,1-2,4-12H3/t23-,24+,25+,26-,27+,28-,29+,31+,32+,33+,35-,36+,37+/m0/s1
SMILES: C[Si](C)(C)C1=C2[C@@H](CCC23O[C@H]([C@@H](O3)C4=CC=CC=C4)C5=CC=CC=C5)C6(C1=O)CC6
InChI: InChI=1S/C27H30O3Si/c1-31(2,3)24-21-20(26(16-17-26)25(24)28)14-15-27(21)29-22(18-10-6-4-7-11-18)23(30-27)19-12-8-5-9-13-19/h4-13,20,22-23H,14-17H2,1-3H3/t20-,22+,23+/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChI: InChI=1S/C18H29N3O17P2/c1-7(23)19-12-9(36-8(4-22)13(25)15(12)27)5-34-39(30,31)38-40(32,33)35-6-10-14(26)16(28)17(37-10)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1
SMILES: B1(O[C@H]2[C@H]3C[C@H](C3(C)C)C[C@]2(O1)C)B4O[C@H]5[C@H]6C[C@H](C6(C)C)C[C@]5(O4)C
InChI: InChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)15-19(5,9-11)25-21(23-15)22-24-16-14-8-12(18(14,3)4)10-20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,19+,20+/m0/s1
SMILES: C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@@H]([C@@H]([C@H](CC3=CC=CC=C3)N)O)NCC4=CC=C(C=C4)CNC(=O)NC5=CC=CC=C5)O
InChI: InChI=1S/C35H39N5O4/c36-29(19-23-9-3-1-4-10-23)33(42)32(34(43)40-31-28-14-8-7-11-26(28)20-30(31)41)37-21-24-15-17-25(18-16-24)22-38-35(44)39-27-12-5-2-6-13-27/h1-18,29-33,37,41-42H,19-22,36H2,(H,40,43)(H2,38,39,44)/t29-,30+,31-,32+,33+/m0/s1
SMILES: CC1=NOC(=C1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)SC2)C(=O)O
InChI: InChI=1S/C18H15ClN6O6S2/c1-6-4-8(31-24-6)3-2-7-5-32-16-11(15(27)25(16)12(7)17(28)29)21-14(26)10(23-30)9-13(19)33-18(20)22-9/h2-4,11,16,30H,5H2,1H3,(H2,20,22)(H,21,26)(H,28,29)/b3-2-,23-10-/t11-,16-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NC(=S)NNC(=O)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C17H20N4OS/c22-16(13-9-18-14-4-2-1-3-12(13)14)20-21-17(23)19-15-8-10-5-6-11(15)7-10/h1-4,9-11,15,18H,5-8H2,(H,20,22)(H2,19,21,23)/t10-,11-,15-/m0/s1
SMILES: CC(C/C=C/C(C)(C)O)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CC[C@@]4([C@H]3CCCO4)C(C)(C)O)C)C)C
InChI: InChI=1S/C30H52O3/c1-21(11-9-15-25(2,3)31)22-13-16-29(8)23-14-17-30(26(4,5)32)24(12-10-20-33-30)27(23,6)18-19-28(22,29)7/h9,15,21-24,31-32H,10-14,16-20H2,1-8H3/b15-9+/t21?,22-,23-,24-,27+,28-,29+,30+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC(=CC=C4)C(=O)O[C@@H]5CC(=C[C@@H]6[C@H]5OC7(O6)CC8=CC=CC=C8C7)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCC1O2
InChI: InChI=1S/C50H64N2O10/c1-47(2,3)61-43(55)17-15-36(29-53)52-42(54)19-21-51-45(56)35-24-39(44-40(25-35)59-50(62-44)26-33-11-7-8-12-34(33)27-50)58-46(57)32-13-9-10-30(23-32)22-31-14-16-41-49(6,60-41)20-18-38-37(31)28-48(38,4)5/h7-13,22-23,25,36-41,44,53H,14-21,24,26-29H2,1-6H3,(H,51,56)(H,52,54)/t36-,37+,38+,39+,40+,41?,44-,49+/m0/s1
SMILES: C[C@]12CC=C[C@@]13[C@H](CC[C@@]3(C#N)O[Si](C)(C)C)C(C2)(C)C
InChI: InChI=1S/C18H29NOSi/c1-15(2)12-16(3)9-7-10-18(16)14(15)8-11-17(18,13-19)20-21(4,5)6/h7,10,14H,8-9,11-12H2,1-6H3/t14-,16-,17+,18-/m1/s1
SMILES: C1CN2CC=C([C@@H]2[C@@H]1OC(=O)C3=CC=C(C=C3)Cl)COC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H19Cl2NO4/c23-17-5-1-14(2-6-17)21(26)28-13-16-9-11-25-12-10-19(20(16)25)29-22(27)15-3-7-18(24)8-4-15/h1-9,19-20H,10-13H2/t19-,20-/m1/s1
SMILES: CC(=CCC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)C
InChI: InChI=1S/C16H28O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,7,12-20H,4,6,8-9H2,1-3H3/b11-7+/t12-,13-,14+,15-,16-/m1/s1
SMILES: C1CN2[C@@H]([C@@H](C=CCO2)NC(=O)OCC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6
InChI: InChI=1S/C29H27N3O5S/c33-29(36-20-21-10-3-1-4-11-21)30-25-15-9-19-37-31-18-17-24-23-14-7-8-16-26(23)32(27(24)28(25)31)38(34,35)22-12-5-2-6-13-22/h1-16,25,28H,17-20H2,(H,30,33)/t25-,28+/m1/s1
SMILES: CCCCCCOC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C21H25NO3/c1-2-3-4-5-11-25-17-8-6-7-16(13-17)22-20(23)18-14-9-10-15(12-14)19(18)21(22)24/h6-10,13-15,18-19H,2-5,11-12H2,1H3/t14-,15+,18-,19+
SMILES: C[C@@H]1C[C@@H]1C(=O)NC2=CC(=C(C=C2C(=O)[O-])OC)OC
InChI: InChI=1S/C14H17NO5/c1-7-4-8(7)13(16)15-10-6-12(20-3)11(19-2)5-9(10)14(17)18/h5-8H,4H2,1-3H3,(H,15,16)(H,17,18)/p-1/t7-,8+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C=C(C=CC2=O)S(=O)(=O)N(C)C
InChI: InChI=1S/C17H26N4O5S/c1-12-6-4-5-7-14(12)18-17(24)19-15(22)11-21-10-13(8-9-16(21)23)27(25,26)20(2)3/h8-10,12,14H,4-7,11H2,1-3H3,(H2,18,19,22,24)/t12-,14-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCl)OC(=O)CCl)OC(=O)CCl)OC(=O)CCl
InChI: InChI=1S/C24H26Cl4O14/c1-34-12-4-11(5-13(35-2)19(12)36-3)23(33)42-24-22(41-18(32)9-28)21(40-17(31)8-27)20(39-16(30)7-26)14(38-24)10-37-15(29)6-25/h4-5,14,20-22,24H,6-10H2,1-3H3/t14-,20-,21+,22-,24+/m1/s1
SMILES: C[NH+](C)CC1=CN(N=N1)C[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C(=O)N4CCC(CC4)C(=O)[O-]
InChI: InChI=1S/C20H32N6O3/c1-23(2)10-16-11-26(22-21-16)12-17-9-15-5-8-25(17)13-18(15)19(27)24-6-3-14(4-7-24)20(28)29/h11,14-15,17-18H,3-10,12-13H2,1-2H3,(H,28,29)/p+1/t15-,17-,18+/m1/s1
SMILES: CC1=C(C[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC)C
InChI: InChI=1S/C18H21NO4/c1-10-7-13-14(8-11(10)2)18(21)19(17(13)20)15-6-5-12(22-3)9-16(15)23-4/h5-6,9,13-14H,7-8H2,1-4H3/t13-,14-/m1/s1
SMILES: CC1=C2CC[C@]([C@H](C[C@H]2[C@](C1)(C)[C@@H]3CC[C@]([C@@H](C3)Br)(C)O)O)(C)O
InChI: InChI=1S/C20H33BrO3/c1-12-11-18(2,13-5-7-19(3,23)16(21)9-13)15-10-17(22)20(4,24)8-6-14(12)15/h13,15-17,22-24H,5-11H2,1-4H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@H](O2)CO)CO)F
InChI: InChI=1S/C11H15FN2O5/c1-5-2-14(11(18)13-9(5)17)10-8(12)6(3-15)7(4-16)19-10/h2,6-8,10,15-16H,3-4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@]1(CCN(C2)CCCC3=CC=CC=C3)C4=CC(=CC=C4)OC)N
InChI: InChI=1S/C26H36N2O/c1-25-14-13-23(27)19-26(25,22-11-6-12-24(18-22)29-2)15-17-28(20-25)16-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-12,18,23H,7,10,13-17,19-20,27H2,1-2H3/t23-,25-,26-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@H]([C@H](C2=O)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4OC
InChI: InChI=1S/C25H22ClNO5/c1-3-31-25(29)16-8-12-18(13-9-16)27-22(20-6-4-5-7-21(20)30-2)23(24(27)28)32-19-14-10-17(26)11-15-19/h4-15,22-23H,3H2,1-2H3/t22-,23+/m0/s1
SMILES: CC(C)CC(=O)[C@H]1[C@H](C[C@H]([C@@H]1C(C)C)C(=O)O)C(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C22H31NO4/c1-13(2)10-18(24)20-16(11-17(22(26)27)19(20)14(3)4)21(25)23-12-15-8-6-5-7-9-15/h5-9,13-14,16-17,19-20H,10-12H2,1-4H3,(H,23,25)(H,26,27)/t16-,17+,19-,20+/m0/s1
SMILES: CCCCC(CC)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C20H38O11/c1-3-5-6-10(4-2)9-28-19-17(27)15(25)18(12(8-22)30-19)31-20-16(26)14(24)13(23)11(7-21)29-20/h10-27H,3-9H2,1-2H3/t10?,11-,12-,13-,14+,15-,16-,17-,18-,19+,20-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-13(2)15-8-10-16(11-9-15)23-19(25)12-29-22(28)14(3)24-20(26)17-6-4-5-7-18(17)21(24)27/h4-5,8-11,13-14,17-18H,6-7,12H2,1-3H3,(H,23,25)/t14-,17+,18+/m0/s1
SMILES: CN(C)CCCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C24H28N2O7/c1-25(2)8-5-9-26-22(14-6-7-17-20(10-14)33-13-32-17)21(24(28)29)15-11-18(30-3)19(31-4)12-16(15)23(26)27/h6-7,10-12,21-22H,5,8-9,13H2,1-4H3,(H,28,29)/t21-,22-/m1/s1
SMILES: CC(C)OC(=O)[C@H]1[C@@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O
InChI: InChI=1S/C21H20O4/c1-11(2)25-21(24)19-17-14-9-5-3-7-12(14)16(18(19)20(22)23)13-8-4-6-10-15(13)17/h3-11,16-19H,1-2H3,(H,22,23)/t16?,17?,18-,19-/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)Cl)N
InChI: InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
SMILES: C1CC2=C3[C@H](CC=C4[C@@H]3[C@H]1COC4)[C@H]5[C@@H](C2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C23H22O3/c24-22-15-3-1-2-4-16(15)23(25)21-17-8-7-14-11-26-10-13-6-5-12(9-18(21)22)20(17)19(13)14/h1-4,7,13,17-19,21H,5-6,8-11H2/t13-,17+,18-,19+,21+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4
InChI: InChI=1S/C20H24N2O5/c23-18(16-13-1-2-14(11-13)17(16)20(25)26)21-15-5-3-12(4-6-15)19(24)22-7-9-27-10-8-22/h3-6,13-14,16-17H,1-2,7-11H2,(H,21,23)(H,25,26)/p-1/t13-,14+,16-,17+/m1/s1