EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C2[C@H](C[NH+]1CC3=CC=CC=C3)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C25H19F2N5/c26-17-6-7-19(22(27)10-17)23-21-13-32(12-16-4-2-1-3-5-16)9-8-18(21)20(11-28)24(31)25(23,14-29)15-30/h1-8,10,20-21,23,31H,9,12-13H2/p+1/t20?,21-,23-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C21H28N4O3/c1-16-7-5-6-10-18(16)25-20(27)19(26)24(21(25)28)15-22-11-13-23(14-12-22)17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/p+1/t16-,18-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C(OC2=CC(=C3C(=C12)N(C4=CC5=CC=CC=C5C=C4C3=O)C)OC)(C)C)OC(=O)CCC(=O)O
InChI: InChI=1S/C30H29NO9/c1-15(32)38-28-25-21(40-30(2,3)29(28)39-23(35)11-10-22(33)34)14-20(37-5)24-26(25)31(4)19-13-17-9-7-6-8-16(17)12-18(19)27(24)36/h6-9,12-14,28-29H,10-11H2,1-5H3,(H,33,34)/t28-,29-/m1/s1
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C2=C(CC(O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3CC(CC(O3)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)CC)O)C)C)C)O)C
InChI: InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21?,22?,23-,24+,25-,26+,27?,28+,29?,30-,31?,33-,34+,36?,37?,38?/m0/s1
SMILES: C[C@@H]1C[C@H]1[C@H](C)CC[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)C)O
InChI: InChI=1S/C29H50O3/c1-16(22-12-18(22)3)6-7-17(2)27-25(31)14-24-21-9-8-19-13-20(30)10-11-28(19,4)23(21)15-26(32)29(24,27)5/h16-27,30-32H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29-/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC(=C(C=C5)O)F)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C35H28FNO5/c1-37-33(41)23-14-13-22-25(30(23)34(37)42)17-26-32(40)24(19-8-4-2-5-9-19)18-29(39)35(26,21-10-6-3-7-11-21)31(22)20-12-15-28(38)27(36)16-20/h2-13,15-16,18,23,25-26,30-31,38H,14,17H2,1H3/t23-,25+,26-,30-,31-,35-/m0/s1
SMILES: C[C@]12CCC(=O)[C@@]([C@@H]1CCCC23OCCO3)(C)CC4=C(C(=CC(=C4OC)OC)OC)OC
InChI: InChI=1S/C25H36O7/c1-23(15-16-21(29-5)17(27-3)14-18(28-4)22(16)30-6)19-8-7-10-25(31-12-13-32-25)24(19,2)11-9-20(23)26/h14,19H,7-13,15H2,1-6H3/t19-,23-,24-/m0/s1
SMILES: CC/C=C\C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OC)O)O
InChI: InChI=1S/C19H28O5/c1-3-4-6-11-15-17(20)18(21)19(22-2)16(24-15)13-23-12-14-9-7-5-8-10-14/h4-10,15-21H,3,11-13H2,1-2H3/b6-4-/t15-,16-,17-,18-,19-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]([C@@]2(C1=O)Cl)C6=C(C=C(C=C6)OCC7=CC=CC=C7)O)Cl
InChI: InChI=1S/C32H26Cl2N4O6/c1-35-27(40)31(33)17-24-22(14-15-36-29(42)37(30(43)38(24)36)20-10-6-3-7-11-20)26(32(31,34)28(35)41)23-13-12-21(16-25(23)39)44-18-19-8-4-2-5-9-19/h2-14,16,24,26,39H,15,17-18H2,1H3/t24-,26-,31-,32+/m1/s1
SMILES: C1[C@H]([C@H](C(=O)N1)C(=O)NN=CC2=CC=CC=C2F)C3=CC=CC=C3
InChI: InChI=1S/C18H16FN3O2/c19-15-9-5-4-8-13(15)10-21-22-18(24)16-14(11-20-17(16)23)12-6-2-1-3-7-12/h1-10,14,16H,11H2,(H,20,23)(H,22,24)/t14-,16+/m0/s1
SMILES: CN(CC=C)C(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)COC
InChI: InChI=1S/C17H27N5O2/c1-4-6-20(2)17(23)16-11-21-7-5-13(16)8-15(21)10-22-9-14(12-24-3)18-19-22/h4,9,13,15-16H,1,5-8,10-12H2,2-3H3/p+1/t13-,15-,16+/m1/s1
SMILES: CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CC[C@]5(CCCC[C@@H]5[C@@H]4C6=CC=CC=C6)O)C)C
InChI: InChI=1S/C31H33NO5/c1-18-20(3)36-26-17-27-23(15-22(18)26)19(2)24(30(34)37-27)16-28(33)32-14-13-31(35)12-8-7-11-25(31)29(32)21-9-5-4-6-10-21/h4-6,9-10,15,17,25,29,35H,7-8,11-14,16H2,1-3H3/t25-,29+,31+/m1/s1
SMILES: CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2O)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC
InChI: InChI=1S/C22H28N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19-20,23,25H,4,7-9,11H2,1-3H3/t12-,13+,19-,20?,22+/m0/s1
SMILES: CC(=O)OC([C@H]([C@H]1[C@@]2([C@@H](COC(O2)(C)C)OC(O1)(C)C)C)O)SC3=CC=CC=C3
InChI: InChI=1S/C21H30O7S/c1-13(22)25-18(29-14-10-8-7-9-11-14)16(23)17-21(6)15(26-20(4,5)27-17)12-24-19(2,3)28-21/h7-11,15-18,23H,12H2,1-6H3/t15-,16+,17+,18?,21+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCC[C@@H]6C(C7=CC=CC=C7)(C8=CC=CC=C8)O)O)C(=C5)C(=O)C9=CC=CO9)O)C
InChI: InChI=1S/C44H51NO5/c1-39-20-17-32(46)27-41(39)23-24-43(33(28-41)38(47)34-15-10-26-50-34)35(39)18-21-40(2)36(43)19-22-42(40,48)29-45-25-9-16-37(45)44(49,30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-8,10-15,23-24,26,28,32,35-37,46,48-49H,9,16-22,25,27,29H2,1-2H3/t32?,35-,36-,37-,39-,40+,41+,42-,43-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1C[C@@]1(F)P2(=O)N([C@@H]3CCCC[C@H]3N2C)C
InChI: InChI=1S/C16H28FN2O3P/c1-15(2,3)22-14(20)11-10-16(11,17)23(21)18(4)12-8-6-7-9-13(12)19(23)5/h11-13H,6-10H2,1-5H3/t11-,12+,13+,16+/m0/s1
SMILES: C1[C@H]2[C@@H](/C(=N\NC(=O)CCCCCC(=O)N/N=C/3\[C@@H]4[C@@H](C3)CC=C4)/C2)C=C1
InChI: InChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)/b22-18-,23-19-/t14-,15-,16+,17+/m1/s1
SMILES: CC1CC[C@@H]2[C@@](C1=O)(CC[C@@H]([C@@]2(C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C28H36O3/c1-21-14-15-24-27(2,26(21)29)17-16-25(31-19-23-12-8-5-9-13-23)28(24,3)20-30-18-22-10-6-4-7-11-22/h4-13,21,24-25H,14-20H2,1-3H3/t21?,24-,25+,27+,28+/m1/s1
SMILES: CCOC(C)O[C@H]1C=C[C@H]([C@@H]2[C@H]1[C@@]3(C(=C([C@]2(C3(OC)OC)Cl)Cl)Cl)Cl)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H36Cl4O5Si/c1-10-30-13(2)31-14-11-12-15(32-33(8,9)20(3,4)5)17-16(14)21(26)18(24)19(25)22(17,27)23(21,28-6)29-7/h11-17H,10H2,1-9H3/t13?,14-,15+,16-,17+,21-,22+/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]([C@@H]([C@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O
InChI: InChI=1S/C58H83NO9/c1-5-6-7-8-9-10-11-12-13-14-15-28-37-50(60)53(61)49(59-57(62)68-58(2,3)4)38-39-51-54(64-41-46-31-22-17-23-32-46)56(66-43-48-35-26-19-27-36-48)55(65-42-47-33-24-18-25-34-47)52(67-51)44-63-40-45-29-20-16-21-30-45/h16-27,29-36,49-56,60-61H,5-15,28,37-44H2,1-4H3,(H,59,62)/t49-,50-,51+,52+,53+,54-,55-,56+/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@H](NN([C@@H]2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H20N4O4/c1-2-22-19(25)16-17(14-8-10-15(11-9-14)24(27)28)21-23(18(16)20(22)26)12-13-6-4-3-5-7-13/h3-11,16-18,21H,2,12H2,1H3/t16-,17+,18-/m0/s1
SMILES: C[C@H]1CN2C([C@H]1O)C(=O)NC[C@@H](C[C@@H](C(=O)NC(C(=O)N3C[C@@H](CC3C(=O)NC(C(=O)NC(C2=O)[C@@H](CC(=O)N)O)[C@@H]([C@H](C4=CC(=C(C=C4)O)OS(=O)(=O)O)O)O)O)[C@@H](C)O)N)O
InChI: InChI=1S/C35H52N8O19S/c1-12-10-43-26(27(12)50)33(56)38-9-15(45)6-17(36)30(53)39-23(13(2)44)34(57)42-11-16(46)7-18(42)31(54)41-25(32(55)40-24(35(43)58)20(48)8-22(37)49)29(52)28(51)14-3-4-19(47)21(5-14)62-63(59,60)61/h3-5,12-13,15-18,20,23-29,44-48,50-52H,6-11,36H2,1-2H3,(H2,37,49)(H,38,56)(H,39,53)(H,40,55)(H,41,54)(H,59,60,61)/t12-,13+,15+,16+,17-,18?,20+,23?,24?,25?,26?,27-,28-,29-/m0/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC(=C6)Cl)Cl
InChI: InChI=1S/C27H18Cl3N3O3/c28-15-5-7-18(8-6-15)31-25(34)24-22-21(23-20-4-2-1-3-14(20)9-10-32(23)24)26(35)33(27(22)36)19-12-16(29)11-17(30)13-19/h1-13,21-24H,(H,31,34)/t21-,22+,23+,24-/m0/s1
SMILES: C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC(=O)CN3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C22H33N3O/c1-21(2)17-9-10-18(15-17)22(21,3)23-20(26)16-24-11-13-25(14-12-24)19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3,(H,23,26)/t17-,18+,22-/m1/s1
SMILES: CCCC(=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(C)(C)C)CCCCC(C)CC3=CC=CC=C3)OC(C)(C)OC
InChI: InChI=1S/C42H66O13/c1-15-21-29(43)49-31-30(50-39(12,13)48-14)40(25-20-19-22-27(2)26-28-23-17-16-18-24-28)51-32(33(44)52-36(3,4)5)41(47,34(45)53-37(6,7)8)42(31,55-40)35(46)54-38(9,10)11/h16-18,23-24,27,30-32,47H,15,19-22,25-26H2,1-14H3/t27?,30-,31-,32-,40-,41-,42-/m1/s1
SMILES: C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H19ClN2O2S/c1-2-12-11-19-8-7-13(12)9-15(19)10-18-22(20,21)16-5-3-14(17)4-6-16/h1,3-6,12-13,15,18H,7-11H2/t12-,13-,15+/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#C)O)C
InChI: InChI=1S/C21H32O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h1,15-18,22H,5-14H2,2-3H3/t15-,16-,17+,18+,19+,20+,21-/m1/s1
SMILES: C1[C@@H]([C@H]1C(=O)C2=CC=CC=C2)C3=CC=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C20H16O2/c21-20(15-9-5-2-6-10-15)17-13-16(17)19-12-11-18(22-19)14-7-3-1-4-8-14/h1-12,16-17H,13H2/t16-,17-/m0/s1
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C
InChI: InChI=1S/C24H38N2O3/c1-4-5-6-7-10-17-28-21-12-9-8-11-20(21)25-24(27)29-23-19-15-13-18(14-16-19)22(23)26(2)3/h8-9,11-12,18-19,22-23H,4-7,10,13-17H2,1-3H3,(H,25,27)/t18?,19?,22-,23-/m0/s1
SMILES: CC1=C2C(=C(C=C1O)O)CSC[C@H](NC(=O)[C@H](COC2=O)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H](CO)N)O)C(=O)N[C@@H](C)C(=O)O
InChI: InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13-,14-,15-,16+,20-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)SC5=NNC(=N5)N
InChI: InChI=1S/C21H19N5O2S2/c1-12-8-10-14(11-9-12)30(27,28)26-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)29-21-23-20(22)24-25-21/h2-11,18-19,26H,1H3,(H3,22,23,24,25)/t18-,19-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H](OC1=O)C)C[C@H]([C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)OC(=O)C)OC(=O)C)C)C)O)O)OC(=O)C
InChI: InChI=1S/C35H50O11/c1-17-22(18(2)43-31(17)40)13-30(46-21(5)38)34(8,41)29-10-12-35(42)24-14-26(39)25-15-27(44-19(3)36)28(45-20(4)37)16-32(25,6)23(24)9-11-33(29,35)7/h14,17-18,22-23,25,27-30,41-42H,9-13,15-16H2,1-8H3/t17-,18+,22+,23+,25+,27-,28+,29+,30-,32-,33-,34-,35-/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)NC3=CC(=CC=C3)F)C(=O)[O-]
InChI: InChI=1S/C14H14FNO4/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(20-9)12(11)14(18)19/h1-3,6,9-12H,4-5H2,(H,16,17)(H,18,19)/p-1/t9-,10+,11-,12+/m1/s1
SMILES: CC[Si](CC)(CC)OCCCC[C@@H]1[C@@H]([C@H](C[C@@](O1)([C@H]([C@H]2[C@@H]([C@H](C=CO2)O[Si](CC)(CC)CC)C)O[Si](CC)(CC)CC)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C42H88O7Si4/c1-18-51(19-2,20-3)45-31-28-27-29-36-34(10)38(47-50(16,17)41(12,13)14)33-42(43-15,46-36)40(49-53(24-7,25-8)26-9)39-35(11)37(30-32-44-39)48-52(21-4,22-5)23-6/h30,32,34-40H,18-29,31,33H2,1-17H3/t34-,35+,36+,37-,38-,39+,40-,42+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=CC=CC=C4N(C3=O)CC=C)CC5=CC=CC=C5
InChI: InChI=1S/C24H23N3O3/c1-3-13-27-18-12-8-7-11-16(18)24(23(27)30)20-19(21(28)26(2)22(20)29)17(25-24)14-15-9-5-4-6-10-15/h3-12,17,19-20,25H,1,13-14H2,2H3/t17-,19-,20-,24+/m0/s1
SMILES: C1CN(CCN1CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=NC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C19H21F3N4O2/c20-19(21,22)13-5-6-16(23-11-13)25-9-7-24(8-10-25)12-26-17(27)14-3-1-2-4-15(14)18(26)28/h1-2,5-6,11,14-15H,3-4,7-10,12H2/t14-,15+
SMILES: C[C@@]1(CC[C@@H]2[C@@H](C1)CC[C@]3([C@H]2CC=C3C#N)C)CC(=O)OC
InChI: InChI=1S/C19H27NO2/c1-18(11-17(21)22-3)8-7-15-13(10-18)6-9-19(2)14(12-20)4-5-16(15)19/h4,13,15-16H,5-11H2,1-3H3/t13-,15-,16+,18+,19-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H28N2O4/c1-14-7-9-17(10-8-14)23-12-16(11-20(23)25)21(26)27-13-19(24)22-18-6-4-3-5-15(18)2/h7-10,15-16,18H,3-6,11-13H2,1-2H3,(H,22,24)/t15-,16-,18+/m0/s1
SMILES: CSC1=CC=C(C=C1)C2=CC=CC=C2[C@@H]3CCCC[C@H]3C(=O)NCC#N
InChI: InChI=1S/C22H24N2OS/c1-26-17-12-10-16(11-13-17)18-6-2-3-7-19(18)20-8-4-5-9-21(20)22(25)24-15-14-23/h2-3,6-7,10-13,20-21H,4-5,8-9,15H2,1H3,(H,24,25)/t20-,21+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F
InChI: InChI=1S/C19H28FN3O2/c1-13-6-4-9-17(14(13)2)22-19(25)12-23(3)11-18(24)21-16-8-5-7-15(20)10-16/h5,7-8,10,13-14,17H,4,6,9,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14+,17-/m0/s1
SMILES: CC[C@@]12CC[C@@](C[C@H]1CCC3=C2C=CC(=C3)OC(=O)N(CC)CCN(C)C)(C#CC)O
InChI: InChI=1S/C26H38N2O3/c1-6-13-25(30)14-15-26(7-2)21(19-25)10-9-20-18-22(11-12-23(20)26)31-24(29)28(8-3)17-16-27(4)5/h11-12,18,21,30H,7-10,14-17,19H2,1-5H3/t21-,25-,26-/m1/s1
SMILES: C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C55H60N2O8/c1-3-27-57(54(61)43-24-23-40-18-8-9-19-41(40)32-43)51-35-49(56-63-37-38-15-6-5-7-16-38)47-33-42(20-10-12-28-58)46(22-11-13-29-59)52-48-34-45(64-44-21-14-17-39(31-44)36-60)25-26-50(48)65-55(51,53(47)52)62-30-4-2/h4-9,14-19,21,23-26,31-34,36,42,46,51-53,58-59H,2-3,10-13,20,22,27-30,35,37H2,1H3/t42-,46+,51-,52+,53+,55+/m0/s1
SMILES: CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=CC(=C4)C#N
InChI: InChI=1S/C19H19N5O3/c1-11(25)22-15-9-26-18-16(10-27-17(15)18)24-19-21-6-5-14(23-19)13-4-2-3-12(7-13)8-20/h2-7,15-18H,9-10H2,1H3,(H,22,25)(H,21,23,24)/t15-,16-,17+,18+/m0/s1
SMILES: C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C21H52O6Si5/c1-28(2,3)22-16-17-18(24-29(4,5)6)19(25-30(7,8)9)20(26-31(10,11)12)21(23-17)27-32(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
SMILES: COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)OC
InChI: InChI=1S/C20H26N2O4/c1-25-17-9-13-7-8-21(11-14(13)10-18(17)26-2)12-22-19(23)15-5-3-4-6-16(15)20(22)24/h9-10,15-16H,3-8,11-12H2,1-2H3/p+1/t15-,16+
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)O
InChI: InChI=1S/C26H19NO4/c1-14-10-12-15(13-11-14)27-23(28)21-20-16-6-2-4-8-18(16)26(25(30)31,22(21)24(27)29)19-9-5-3-7-17(19)20/h2-13,20-22H,1H3,(H,30,31)/t20?,21-,22+,26?/m0/s1
SMILES: CC1=C2[C@H]([C@H]([C@](CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H18FNO3/c1-9(20)16-15(11-4-6-12(18)7-5-11)14-10(2)22-19-13(14)8-17(16,3)21/h4-7,15-16,21H,8H2,1-3H3/t15-,16-,17-/m1/s1
SMILES: C1[C@H]([C@H]([C@H]([C@H](O1)NC2=CC=C(C=C2)Br)O)O)O
InChI: InChI=1S/C11H14BrNO4/c12-6-1-3-7(4-2-6)13-11-10(16)9(15)8(14)5-17-11/h1-4,8-11,13-16H,5H2/t8-,9-,10-,11+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CCOC2=CC=C(C=C2)OC
InChI: InChI=1S/C17H27NO2/c1-13-5-4-6-17(14(13)2)18-11-12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3/p+1/t13-,14+,17-/m0/s1
SMILES: CC1=CC=C(C=C1)CN2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2
InChI: InChI=1S/C18H15FN4O2/c1-11-2-4-12(5-3-11)10-22-16-15(20-21-22)17(24)23(18(16)25)14-8-6-13(19)7-9-14/h2-9,15-16H,10H2,1H3/t15-,16-/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C27H18BrNO5/c1-14-6-2-3-7-17(14)22-20-21(26(33)29(25(20)32)16-12-10-15(28)11-13-16)27(34-22)23(30)18-8-4-5-9-19(18)24(27)31/h2-13,20-22H,1H3/t20-,21+,22-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(N=C2)Cl)Cl
InChI: InChI=1S/C17H22Cl2N2O3/c1-9-5-4-6-14(10(9)2)21-16(22)11(3)24-17(23)12-7-13(18)15(19)20-8-12/h7-11,14H,4-6H2,1-3H3,(H,21,22)/t9-,10-,11-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C25H19N3O3/c1-16-7-13-19(14-8-16)27-24(29)21-22(18-11-9-17(15-26)10-12-18)28(31-23(21)25(27)30)20-5-3-2-4-6-20/h2-14,21-23H,1H3/t21-,22+,23-/m1/s1
SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@H]4[C@@H]5[C@@]([C@]3(CC2)C)(CCC([C@@]5(CC(=O)O4)C)C(C)(C)C(=O)O)C
InChI: InChI=1S/C32H48O7/c1-17(14-22(37-18(2)33)26-29(5,6)39-26)19-10-12-31(8)20(19)15-21-25-30(7,16-24(34)38-21)23(11-13-32(25,31)9)28(3,4)27(35)36/h17,21-23,25-26H,10-16H2,1-9H3,(H,35,36)/t17-,21+,22+,23?,25+,26-,30+,31+,32+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H]2[C@H]([C@@H](O1)C3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C16H20O5/c1-4-18-15(17)14-13-12(20-16(2,3)21-13)11(19-14)10-8-6-5-7-9-10/h5-9,11-14H,4H2,1-3H3/t11-,12-,13-,14+/m0/s1
SMILES: CC1(O[C@H]2C=C[C@]([C@H]2O1)(CC(=O)N(C)C)C3=CC(=C(C=C3)OC)OC)C
InChI: InChI=1S/C20H27NO5/c1-19(2)25-15-9-10-20(18(15)26-19,12-17(22)21(3)4)13-7-8-14(23-5)16(11-13)24-6/h7-11,15,18H,12H2,1-6H3/t15-,18-,20-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC[C@@]1([C@H]2CCC[C@](C2=CC[C@@H]1COP(=O)(N(C)C)N(C)C)(C)CCCOCC3=CC=CC=C3)COP(=O)(N(C)C)N(C)C
InChI: InChI=1S/C42H80N4O6P2Si/c1-34(2)55(35(3)4,36(5)6)52-30-28-42(33-51-54(48,45(12)13)46(14)15)38(32-50-53(47,43(8)9)44(10)11)24-25-39-40(42)23-19-26-41(39,7)27-20-29-49-31-37-21-17-16-18-22-37/h16-18,21-22,25,34-36,38,40H,19-20,23-24,26-33H2,1-15H3/t38-,40+,41-,42-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C)Cl)Cl)C(=O)N(C4=O)CC6=CC=CS6
InChI: InChI=1S/C28H26Cl2N2O5S/c1-13-9-15(10-14(2)22(13)33)21-17-6-7-18-20(24(35)32(23(18)34)12-16-5-4-8-38-16)19(17)11-27(29)25(36)31(3)26(37)28(21,27)30/h4-6,8-10,18-21,33H,7,11-12H2,1-3H3/t18-,19+,20-,21-,27+,28-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3/t27-,32-,33+,34-,35-/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OCC#N)/C4=NSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C=C\CCl
InChI: InChI=1S/C43H36ClN7O6S2/c1-55-33-21-19-28(20-22-33)26-56-41(54)36-29(12-11-23-44)27-58-40-35(39(53)51(36)40)46-38(52)34(49-57-25-24-45)37-47-42(59-50-37)48-43(30-13-5-2-6-14-30,31-15-7-3-8-16-31)32-17-9-4-10-18-32/h2-22,35,40H,23,25-27H2,1H3,(H,46,52)(H,47,48,50)/b12-11-,49-34-/t35-,40-/m1/s1
SMILES: C1C(OC(=O)C2=C1C=CC=C2O)C3=CC(=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H22O10/c22-8-15-17(25)18(26)19(27)21(31-15)30-14-6-9(4-5-11(14)23)13-7-10-2-1-3-12(24)16(10)20(28)29-13/h1-6,13,15,17-19,21-27H,7-8H2/t13?,15-,17-,18+,19-,21-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=CC(=CC=C6)F
InChI: InChI=1S/C26H15BrFNO5/c27-14-10-8-13(9-11-14)21-19-20(25(33)29(24(19)32)16-5-3-4-15(28)12-16)26(34-21)22(30)17-6-1-2-7-18(17)23(26)31/h1-12,19-21H/t19-,20+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2CN([C@]3([C@@H]2[N+](=O)[O-])C4=CC=CC=C4NC3=O)C
InChI: InChI=1S/C19H19N3O3/c1-12-7-9-13(10-8-12)14-11-21(2)19(17(14)22(24)25)15-5-3-4-6-16(15)20-18(19)23/h3-10,14,17H,11H2,1-2H3,(H,20,23)/t14-,17-,19+/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)OCCOCC9=CC=CC=C9)OCC=C
InChI: InChI=1S/C59H66N4O13/c1-3-28-74-59-55(62(35-43-20-24-53-54(31-43)73-39-72-53)58(66)70-30-29-69-36-41-13-5-4-6-14-41)34-51(61-75-37-42-18-21-46(22-19-42)63(67)68)49-32-44(15-7-9-26-64)48(17-8-10-27-65)56(57(49)59)50-33-47(23-25-52(50)76-59)71-38-45-16-11-12-40(2)60-45/h3-6,11-14,16,18-25,31-33,44,48,55-57,64-65H,1,7-10,15,17,26-30,34-39H2,2H3/t44-,48+,55-,56+,57+,59+/m0/s1
SMILES: CC1=CC2=NN(N=C2C=C1C)CC(=O)NC[C@@H]3CCCN4[C@@H]3CCCC4
InChI: InChI=1S/C20H29N5O/c1-14-10-17-18(11-15(14)2)23-25(22-17)13-20(26)21-12-16-6-5-9-24-8-4-3-7-19(16)24/h10-11,16,19H,3-9,12-13H2,1-2H3,(H,21,26)/t16-,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](COC(=O)C)OC(=O)C)[C@@H]([C@H](C(=O)NCC2=CC=C(C=C2)C3OCCO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H49NO21/c1-18(40)51-16-28(53-20(3)42)31(60-38-35(58-25(8)47)33(56-23(6)45)30(54-21(4)43)29(59-38)17-52-19(2)41)32(55-22(5)44)34(57-24(7)46)36(48)39-15-26-9-11-27(12-10-26)37-49-13-14-50-37/h9-12,28-35,37-38H,13-17H2,1-8H3,(H,39,48)/t28-,29-,30+,31-,32+,33+,34-,35-,38+/m1/s1
SMILES: CCOC(=O)C1(O[C@@H]([C@H](O1)C(=O)OC)C(=O)O)C(=O)OCC
InChI: InChI=1S/C12H16O10/c1-4-19-10(16)12(11(17)20-5-2)21-6(8(13)14)7(22-12)9(15)18-3/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
SMILES: CC(C)(C[NH+](C)C)[C@@H]1[C@@H]2CCCC=C2[C@H]3CCCC[C@H]3O1
InChI: InChI=1S/C19H33NO/c1-19(2,13-20(3)4)18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)21-18/h9,15-18H,5-8,10-13H2,1-4H3/p+1/t15-,16-,17-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)COCC(=O)N2[C@H]3CCN([C@@H]3CC2=O)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C24H26N2O6/c1-30-19-9-7-18(8-10-19)14-31-16-23(28)26-20-11-12-25(21(20)13-22(26)27)24(29)32-15-17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3/t20-,21+/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=C(C=C6)F)Cl)C)CCC7=NC8=CC(=C(C=C8N(C7=O)C)OC)OC
InChI: InChI=1S/C40H38ClFN6O8/c1-19-13-21(14-20(2)34(19)49)33-23-9-12-46-38(53)45(11-10-27-36(51)44(4)30-18-32(56-6)31(55-5)17-28(30)43-27)39(54)48(46)29(23)16-24-35(50)47(37(52)40(24,33)3)22-7-8-26(42)25(41)15-22/h7-9,13-15,17-18,24,29,33,49H,10-12,16H2,1-6H3/t24-,29+,33-,40+/m0/s1
SMILES: CC1CC(C(=O)C(O1)O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C=O)CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)O
InChI: InChI=1S/C29H40O9/c1-15-9-21(31)25(34)26(37-15)38-23-11-17-3-4-20-19(28(17,14-30)12-22(23)32)5-7-27(2)18(6-8-29(20,27)35)16-10-24(33)36-13-16/h10,14-15,17-23,26,31-32,35H,3-9,11-13H2,1-2H3/t15?,17-,18?,19-,20+,21?,22+,23+,26?,27+,28+,29-/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)C4=CC=CC(=C4)CNC(=O)[C@H](C)OC(=O)C)CN5CCN(CC5)CC6=CC=CC=C6
InChI: InChI=1S/C42H49N3O6/c1-29-39(27-45-21-19-44(20-22-45)26-32-9-5-4-6-10-32)50-42(51-40(29)35-17-15-33(28-46)16-18-35)38-14-8-13-37(24-38)36-12-7-11-34(23-36)25-43-41(48)30(2)49-31(3)47/h4-18,23-24,29-30,39-40,42,46H,19-22,25-28H2,1-3H3,(H,43,48)/t29-,30-,39+,40+,42+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC4=CC=CC(=C4)C)N3C
InChI: InChI=1S/C23H27NO2/c1-15-7-9-17(10-8-15)20-14-18-11-12-21(24(18)3)22(20)23(25)26-19-6-4-5-16(2)13-19/h4-10,13,18,20-22H,11-12,14H2,1-3H3/t18-,20+,21+,22-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)C[C@@H]2[C@@H]([C@@H](O[C@@H](O2)C3=CC=CC=C3)[C@H](C[N+](=O)[O-])O)OCC4=CC=CC=C4)OC
InChI: InChI=1S/C34H45NO9Si/c1-34(2,3)45(6,7)44-31-27(39-4)18-24(19-28(31)40-5)20-29-32(41-22-23-14-10-8-11-15-23)30(26(36)21-35(37)38)43-33(42-29)25-16-12-9-13-17-25/h8-19,26,29-30,32-33,36H,20-22H2,1-7H3/t26-,29+,30-,32-,33+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]([C@@H](C(N1C(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H23NO9/c1-7(23-9(3)19)13-14(24-10(4)20)15(25-11(5)21)16(26-12(6)22)17(13)8(2)18/h7,13-16H,1-6H3/t7-,13-,14+,15+,16?/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H17N3O5/c1-9-2-7-12-13(8-9)16(22)18(15(12)21)17-14(20)10-3-5-11(6-4-10)19(23)24/h3-6,9,12-13H,2,7-8H2,1H3,(H,17,20)/t9-,12+,13+/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2C=CC3)C4=C(C=CC(=C4)Br)OC
InChI: InChI=1S/C21H20BrNO2/c1-12(24)13-6-8-19-17(10-13)15-4-3-5-16(15)21(23-19)18-11-14(22)7-9-20(18)25-2/h3-4,6-11,15-16,21,23H,5H2,1-2H3/t15-,16+,21+/m1/s1
SMILES: CCCOC1=CC=CC(=C1)[C@@H]2[C@@H]3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)C)(C)C
InChI: InChI=1S/C26H30N2O3/c1-5-13-31-19-10-8-9-18(14-19)25-24-21(15-26(3,4)16-23(24)30)27-20-11-6-7-12-22(20)28(25)17(2)29/h6-12,14-15,24-25,27H,5,13,16H2,1-4H3/t24-,25+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC3=C2N([C@H]4[C@H]3CC5=CC=CC=C45)C)C
InChI: InChI=1S/C24H23NO3S/c1-15-8-11-18(12-9-15)29(26,27)28-24-16(2)10-13-20-21-14-17-6-4-5-7-19(17)22(21)25(3)23(20)24/h4-13,21-22H,14H2,1-3H3/t21-,22+/m0/s1
SMILES: CCN1[C@@H]([C@]2(CC3=C1N=C4C(=CC=CN4C3=O)C)C(=O)NC(=O)N(C2=O)C)C
InChI: InChI=1S/C19H21N5O4/c1-5-23-11(3)19(16(26)21-18(28)22(4)17(19)27)9-12-14(23)20-13-10(2)7-6-8-24(13)15(12)25/h6-8,11H,5,9H2,1-4H3,(H,21,26,28)/t11-,19-/m1/s1
SMILES: CCCOC(=O)C1=CC=CC(=C1)CC[C@H]2[C@@H](C(=O)O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C35H34O5/c1-2-23-38-33(36)27-14-12-13-26(24-27)21-22-32-31(34(37)40-32)25-39-35(28-15-6-3-7-16-28,29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-20,24,31-32H,2,21-23,25H2,1H3/t31-,32-/m0/s1
SMILES: CC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3Cl)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H13Cl2N3O3/c1-10(25)16-15-17(24(22-16)12-6-4-5-11(20)9-12)19(27)23(18(15)26)14-8-3-2-7-13(14)21/h2-9,15,17H,1H3/t15-,17-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H22N2O5/c1-14(21(27)24-17-11-10-15-6-2-3-7-16(15)12-17)30-20(26)13-25-22(28)18-8-4-5-9-19(18)23(25)29/h2-7,10-12,14,18-19H,8-9,13H2,1H3,(H,24,27)/t14-,18+,19+/m1/s1
SMILES: CCCOC1=CC=CC=C1[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)O[C@@H](C)C(C)(C)C
InChI: InChI=1S/C21H30N2O4/c1-7-12-26-16-11-9-8-10-15(16)18-17(13(2)22-20(25)23-18)19(24)27-14(3)21(4,5)6/h8-11,14,17-18H,2,7,12H2,1,3-6H3,(H2,22,23,25)/t14-,17+,18-/m0/s1