EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)NC4=CC=C(C=C4)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC(=CC=C6)C(F)(F)F)C
InChI: InChI=1S/C43H51F3N2O6/c1-28-7-5-20-41(2)38(19-21-42(41,52)27-48(26-35-10-6-22-54-35)40(51)47-32-13-16-34(53-3)17-14-32)36-18-12-29(23-33(49)15-11-28)24-37(36)39(50)30-8-4-9-31(25-30)43(44,45)46/h4,7-9,12-14,16-18,24-25,33,35,38,49,52H,5-6,10-11,15,19-23,26-27H2,1-3H3,(H,47,51)/t33-,35+,38-,41-,42+/m0/s1
SMILES: C[C@@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C)O
InChI: InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8+,10-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC(=CC=C4)O)C(=O)N(C3=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C46H34N2O7/c49-33-13-7-12-30(24-33)38-34-22-23-35-39(45(54)47(43(35)52)31-18-14-28(15-19-31)41(50)26-8-3-1-4-9-26)36(34)25-37-40(38)46(55)48(44(37)53)32-20-16-29(17-21-32)42(51)27-10-5-2-6-11-27/h1-22,24,35-40,49H,23,25H2/t35-,36+,37+,38-,39-,40+/m0/s1
SMILES: C1=C([C@H]([C@H]([C@@H]1N2C=C(C(=NC2=O)N)Cl)O)O)CO
InChI: InChI=1S/C10H12ClN3O4/c11-5-2-14(10(18)13-9(5)12)6-1-4(3-15)7(16)8(6)17/h1-2,6-8,15-17H,3H2,(H2,12,13,18)/t6-,7-,8+/m1/s1
SMILES: CCCCC/C=C/C=C/1\[C@H]2CC(=C[C@H]2CC1=O)CCCCC(=O)OC
InChI: InChI=1S/C22H32O3/c1-3-4-5-6-7-8-12-19-20-15-17(14-18(20)16-21(19)23)11-9-10-13-22(24)25-2/h7-8,12,14,18,20H,3-6,9-11,13,15-16H2,1-2H3/b8-7+,19-12+/t18-,20-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=CC=C6C=CC7CCC8C(C7)O8)OCO5
InChI: InChI=1S/C39H51N3O11/c1-38(2,3)52-30(44)15-13-25(20-43)40-35(45)26-9-6-16-41(26)37(47)39-18-29-31-32(49-21-48-31)34(39)53-42(33(39)36(46)51-29)19-24-8-5-4-7-23(24)12-10-22-11-14-27-28(17-22)50-27/h4-5,7-8,10,12,22,25-29,31-34,43H,6,9,11,13-21H2,1-3H3,(H,40,45)/t22?,25-,26+,27?,28?,29+,31-,32-,33-,34+,39-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N4CCC(CC4)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C20H30N4O5S/c1-9-15-14(10(2)25)19(27)24(15)16(20(28)29)17(9)30-12-7-13(22-8-12)18(26)23-5-3-11(21)4-6-23/h9-15,22,25H,3-8,21H2,1-2H3,(H,28,29)/t9-,10-,12+,13+,14-,15-/m1/s1
SMILES: CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4CC[C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O
InChI: InChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20-,23-,24-,26-,27-,28-,29-,38+,39+,40+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@](O3)(C(=O)OC[C@H]4[C@@](O4)(CC[C@@H]5[C@](O5)(C(=O)OC[C@@H]1O2)C)C)C
InChI: InChI=1S/C20H28O8/c1-17-7-5-11-19(3,27-11)16(22)24-10-14-18(2,26-14)8-6-12-20(4,28-12)15(21)23-9-13(17)25-17/h11-14H,5-10H2,1-4H3/t11-,12-,13+,14+,17+,18+,19+,20+/m1/s1
SMILES: C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)Br)O)CO
InChI: InChI=1S/C11H11BrN2O5/c1-2-11(5-15)7(16)3-8(19-11)14-4-6(12)9(17)13-10(14)18/h1,4,7-8,15-16H,3,5H2,(H,13,17,18)/t7-,8+,11+/m0/s1
SMILES: CS(=O)(=O)O[C@@H]1CC[C@H](C[C@@H]1C2=CN=C(C=C2)Cl)N=[N+]=[N-]
InChI: InChI=1S/C12H15ClN4O3S/c1-21(18,19)20-11-4-3-9(16-17-14)6-10(11)8-2-5-12(13)15-7-8/h2,5,7,9-11H,3-4,6H2,1H3/t9-,10-,11-/m1/s1
SMILES: C1CC(=O)N2C1=CC(=O)[C@H]3[C@@H]2[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C13H13NO2/c15-10-6-9-3-4-11(16)14(9)13-8-2-1-7(5-8)12(10)13/h1-2,6-8,12-13H,3-5H2/t7-,8+,12-,13-/m0/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@H](O2)CC=C)OC(O3)(C)C)C
InChI: InChI=1S/C15H24O5/c1-6-7-9-11-13(20-15(4,5)19-11)12-10(17-9)8-16-14(2,3)18-12/h6,9-13H,1,7-8H2,2-5H3/t9-,10-,11-,12-,13-/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=CC=C4Cl)C(=O)OC
InChI: InChI=1S/C21H20ClNO2/c1-12-13(21(24)25-2)10-11-16-14-7-5-8-15(14)20(23-19(12)16)17-6-3-4-9-18(17)22/h3-7,9-11,14-15,20,23H,8H2,1-2H3/t14-,15+,20+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)N2C(=O)C(=CN(C2=O)S(=O)(=O)C3=CC=C(C=C3)OC)F)C(=O)OC)OC(=O)C
InChI: InChI=1S/C24H25FN2O14S/c1-11(28)38-17-18(39-12(2)29)20(23(32)37-5)41-22(19(17)40-13(3)30)27-21(31)16(25)10-26(24(27)33)42(34,35)15-8-6-14(36-4)7-9-15/h6-10,17-20,22H,1-5H3/t17-,18-,19+,20-,22+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C45H53FN2O9/c1-4-23-55-45-41(48(44(52)54-5-2)28-30-15-17-33(46)18-16-30)27-39(47-53-3)37-25-32(12-6-8-21-49)36(14-7-9-22-50)42(43(37)45)38-26-35(19-20-40(38)57-45)56-34-13-10-11-31(24-34)29-51/h4,10-11,13,15-20,24-26,29,32,36,41-43,49-50H,1,5-9,12,14,21-23,27-28H2,2-3H3/t32-,36+,41-,42+,43+,45+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15IN2O2/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(22)23/h1-2,4-10,14-15,18,20H,3H2/t14-,15-,18-/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)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C38H38N6O6/c1-25-35(23-42-18-20-43(21-19-42)30-14-16-31(17-15-30)44(47)48)49-38(50-36(25)27-8-6-26(24-45)7-9-27)28-10-12-29(13-11-28)40-37(46)34-22-39-32-4-2-3-5-33(32)41-34/h2-17,22,25,35-36,38,45H,18-21,23-24H2,1H3,(H,40,46)/t25-,35+,36+,38+/m1/s1
SMILES: C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]3([C@H]2O)C[C@]4(C[C@H]5[C@@H](CC[C@H](N5[C@H](C4)O)C6=COC=C6)C)SC3)C7=COC=C7
InChI: InChI=1S/C30H42N2O4S/c1-19-3-6-25(22-9-12-36-16-22)32-23(19)7-10-29(28(32)34)17-30(37-18-29)13-26-20(2)4-5-24(21-8-11-35-15-21)31(26)27(33)14-30/h8-9,11-12,15-16,19-20,23-28,33-34H,3-7,10,13-14,17-18H2,1-2H3/t19-,20-,23+,24+,25+,26+,27+,28-,29-,30-/m1/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)([C@@H](C2)OC(=O)C(C)(C)C)OC)C)O)C(C)C
InChI: InChI=1S/C25H40O5/c1-15(2)17-10-9-16(3)18-13-20(26)24(7)11-12-25(28-8,30-24)21(14-19(17)18)29-22(27)23(4,5)6/h9,11-12,15,17-21,26H,10,13-14H2,1-8H3/t17-,18+,19-,20+,21-,24+,25-/m1/s1
SMILES: COC1=CC=CC(=C1[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)N(C3=O)C7=CC(=CC=C7)[N+](=O)[O-])O
InChI: InChI=1S/C33H26N4O10/c1-47-25-10-4-9-24(38)29(25)27-20-11-12-21-26(32(41)34(30(21)39)16-5-2-7-18(13-16)36(43)44)22(20)15-23-28(27)33(42)35(31(23)40)17-6-3-8-19(14-17)37(45)46/h2-11,13-14,21-23,26-28,38H,12,15H2,1H3/t21-,22+,23+,26-,27-,28+/m0/s1
SMILES: CC1=CC=C(S1)[C@@H]2[C@H]3CCCC=C3[C@@H]([C@@H](C2(C#N)C#N)[NH3+])C#N
InChI: InChI=1S/C18H18N4S/c1-11-6-7-15(23-11)16-13-5-3-2-4-12(13)14(8-19)17(22)18(16,9-20)10-21/h4,6-7,13-14,16-17H,2-3,5,22H2,1H3/p+1/t13-,14-,16-,17-/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7CCC[C@H]7C(=O)OC(C)(C)C
InChI: InChI=1S/C47H53N3O9/c1-30-40(27-49-23-9-14-39(49)44(54)59-47(2,3)4)57-45(58-42(30)35-17-15-31(28-51)16-18-35)36-21-19-34(20-22-36)37-13-8-12-33(24-37)26-50-41(52)25-38(43(50)53)48-46(55)56-29-32-10-6-5-7-11-32/h5-8,10-13,15-22,24,30,38-40,42,45,51H,9,14,23,25-29H2,1-4H3,(H,48,55)/t30-,38?,39-,40+,42+,45+/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C[NH3+].[Cl-]
InChI: InChI=1S/C15H21NO.ClH/c1-17-14-5-3-2-4-12(14)15-11-7-6-10(8-11)13(15)9-16;/h2-5,10-11,13,15H,6-9,16H2,1H3;1H/t10-,11+,13+,15-;/m1./s1
SMILES: CC1=CC2=C(C=C1)N([C@]3([C@]2(N(C4=C3C=C(C=C4)C)C(=O)C)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C
InChI: InChI=1S/C32H28N2O2/c1-21-15-17-29-27(19-21)31(25-11-7-5-8-12-25)32(33(29)23(3)35,26-13-9-6-10-14-26)28-20-22(2)16-18-30(28)34(31)24(4)36/h5-20H,1-4H3/t31-,32+
SMILES: CC(=CCC/C(=C/CC/C(=C/CO[C@@]1(CC[C@@H]2[C@@]([C@H]1CO)(CCCC2(C)C)C)C)/C)/C)C
InChI: InChI=1S/C30H52O2/c1-23(2)12-9-13-24(3)14-10-15-25(4)17-21-32-30(8)20-16-26-28(5,6)18-11-19-29(26,7)27(30)22-31/h12,14,17,26-27,31H,9-11,13,15-16,18-22H2,1-8H3/b24-14+,25-17+/t26-,27+,29-,30+/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C17H19NO4/c1-2-22-13-6-4-3-5-12(13)18-16(19)14-10-7-8-11(9-10)15(14)17(20)21/h3-8,10-11,14-15H,2,9H2,1H3,(H,18,19)(H,20,21)/p-1/t10-,11+,14-,15+/m1/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CC3)C(=O)C4CC4)C(=O)NCCO
InChI: InChI=1S/C25H33IN2O7/c1-34-21-9-15(13-30)8-18(26)23(21)35-20-11-17(24(32)27-6-7-29)10-19(22(20)31)28(12-14-2-3-14)25(33)16-4-5-16/h8-9,11,14,16,19-20,22,29-31H,2-7,10,12-13H2,1H3,(H,27,32)/t19-,20+,22+/m1/s1
SMILES: C[NH+]1[C@H]2CC[C@@H]1[C@H]3[C@@H](C(C(=N)C(C3=C2)C#N)(C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H18ClN5/c1-27-14-6-7-17(27)18-15(8-14)16(9-23)20(26)21(10-24,11-25)19(18)12-2-4-13(22)5-3-12/h2-5,8,14,16-19,26H,6-7H2,1H3/p+1/t14-,16?,17+,18-,19-/m0/s1
SMILES: CCCCC[C@]1(C[C@@H]1CCC2C=CC(=O)O2)N(C)CC3=CC=CC=C3
InChI: InChI=1S/C22H31NO2/c1-3-4-8-15-22(23(2)17-18-9-6-5-7-10-18)16-19(22)11-12-20-13-14-21(24)25-20/h5-7,9-10,13-14,19-20H,3-4,8,11-12,15-17H2,1-2H3/t19-,20?,22+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)C3=CC4=C(C=C3)OCO4)NC5=NC=CC(=N5)C6=CC=C(C=C6)C7=CC=CC=C7
InChI: InChI=1S/C30H26N4O5/c35-29(21-10-11-25-26(14-21)39-17-38-25)32-23-15-36-28-24(16-37-27(23)28)34-30-31-13-12-22(33-30)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-14,23-24,27-28H,15-17H2,(H,32,35)(H,31,33,34)/t23-,24-,27+,28+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)NCCC5=CC=CC=N5)C6=CC=CC=C6NC4=O)C7=CC(=CC=C7)OCCO)C8=CC=CC=C8
InChI: InChI=1S/C42H38N4O6/c47-24-25-51-31-18-11-16-29(26-31)38-42(32-19-7-8-20-33(32)45-41(42)50)34(39(48)44-23-21-30-17-9-10-22-43-30)36-40(49)52-37(28-14-5-2-6-15-28)35(46(36)38)27-12-3-1-4-13-27/h1-20,22,26,34-38,47H,21,23-25H2,(H,44,48)(H,45,50)/t34-,35-,36-,37+,38+,42-/m0/s1
SMILES: CC1=C(N=C2C=C(C=CC2=N1)C(=O)N3CCC[C@H]4[C@@H]3CCCC4)C
InChI: InChI=1S/C20H25N3O/c1-13-14(2)22-18-12-16(9-10-17(18)21-13)20(24)23-11-5-7-15-6-3-4-8-19(15)23/h9-10,12,15,19H,3-8,11H2,1-2H3/t15-,19-/m0/s1
SMILES: [3H]C1[C@H]([C@H]2[C@@]34CCN([C@@H]([C@@]3(C1[3H])O)CC5=C4C(=C(C=C5)O)O2)C)NC(=O)CCl
InChI: InChI=1S/C19H23ClN2O4/c1-22-7-6-18-15-10-2-3-12(23)16(15)26-17(18)11(21-14(24)9-20)4-5-19(18,25)13(22)8-10/h2-3,11,13,17,23,25H,4-9H2,1H3,(H,21,24)/t11-,13-,17+,18+,19-/m1/s1/i4T,5T/t4?,5?,11-,13-,17+,18+,19-
SMILES: CCOC(=O)[C@H]1C[C@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=COC=C3
InChI: InChI=1S/C21H25NO4/c1-2-26-21(24)19-13-18(19)14-22(20(23)17-10-12-25-15-17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,15,18-19H,2,6,9,11,13-14H2,1H3/t18-,19-/m0/s1
SMILES: C1=CC=C(C(=C1)[C@@H]2[C@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3)Cl
InChI: InChI=1S/C17H13ClF3N3O3/c18-11-6-2-1-5-10(11)13-12(14(25)9-4-3-7-22-8-9)16(27,17(19,20)21)24-15(26)23-13/h1-8,12-13,27H,(H2,23,24,26)/t12-,13+,16-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)/C(=N/OC)/C3=CC=CC=C3)O
InChI: InChI=1S/C20H22N2O5/c1-4-10-27-20(25)18-14(11-15-16(12(2)23)19(24)22(15)18)17(21-26-3)13-8-6-5-7-9-13/h4-9,12,15-16,23H,1,10-11H2,2-3H3/b21-17+/t12-,15-,16-/m1/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)C#N
InChI: InChI=1S/C26H25FN2O2/c1-16-21(14-28)24(25-22(29-16)12-26(2,3)13-23(25)30)18-6-10-20(11-7-18)31-15-17-4-8-19(27)9-5-17/h4-11,24-25H,12-13,15H2,1-3H3/t24-,25+/m1/s1
SMILES: C1=C(C(=C2N1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CO)CO
InChI: InChI=1S/C11H17NO6/c13-2-5-1-12-7(4-15)9(16)11(18)10(17)8(12)6(5)3-14/h1,7,9-11,13-18H,2-4H2/t7-,9-,10+,11+/m1/s1
SMILES: C[C@@]12CC[C@H](C([C@H]1CCC(=C)[C@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)C)O
InChI: InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20-,21-,24+/m1/s1
SMILES: CCC(CC)C([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OCC)N=C(N)NC(=O)OCC(Cl)(Cl)Cl)NC(=O)C
InChI: InChI=1S/C20H33Cl3N4O6/c1-5-11(6-2)15(25-10(4)28)14-13(8-12(16(14)29)17(30)32-7-3)26-18(24)27-19(31)33-9-20(21,22)23/h11-16,29H,5-9H2,1-4H3,(H,25,28)(H3,24,26,27,31)/t12-,13+,14+,15?,16+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@]1(C)CCC(=C)C=C)CC(=O)C=C2COC(=O)C)COC(=O)C
InChI: InChI=1S/C24H34O5/c1-7-16(2)8-10-23(6)17(3)9-11-24(15-29-19(5)26)20(14-28-18(4)25)12-21(27)13-22(23)24/h7,12,17,22H,1-2,8-11,13-15H2,3-6H3/t17-,22+,23-,24-/m1/s1
SMILES: C[C@]1([C@H]2C(=O)C3=CC=CC=C3[C@](O2)(O1)OC)C(=O)OCC4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H17ClO6/c1-19(18(23)25-11-12-7-9-13(21)10-8-12)17-16(22)14-5-3-4-6-15(14)20(24-2,26-17)27-19/h3-10,17H,11H2,1-2H3/t17-,19+,20+/m1/s1
SMILES: CCC(=O)O[C@@H]1C2[C@@]34CO[C@]2([C@H](C(C3[C@]5(CC(=O)C(=C(C5CC4OC1=O)C)O)C)O)O)C(=O)OC
InChI: InChI=1S/C24H30O11/c1-5-13(26)35-16-18-23-8-33-24(18,21(31)32-4)19(29)15(28)17(23)22(3)7-11(25)14(27)9(2)10(22)6-12(23)34-20(16)30/h10,12,15-19,27-29H,5-8H2,1-4H3/t10?,12?,15?,16-,17?,18?,19+,22+,23-,24-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)O)OCC5=CC=CC=C5)N=[N+]=[N-]
InChI: InChI=1S/C36H41N3O5Si/c1-36(2,3)45(29-20-12-6-13-21-29,30-22-14-7-15-23-30)44-35-32(38-39-37)34(42-25-28-18-10-5-11-19-28)33(40)31(43-35)26-41-24-27-16-8-4-9-17-27/h4-23,31-35,40H,24-26H2,1-3H3/t31-,32-,33-,34-,35+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C[NH+](CC3=NN=C(O3)C4=CC=C(C=C4)Cl)C5CC5
InChI: InChI=1S/C21H23ClN4O3/c22-14-7-5-13(6-8-14)19-24-23-18(29-19)11-25(15-9-10-15)12-26-20(27)16-3-1-2-4-17(16)21(26)28/h5-8,15-17H,1-4,9-12H2/p+1/t16-,17-/m0/s1
SMILES: C1COC(=O)N1C(=O)[C@H]2CSC(=C[C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO3S/c23-20(22-11-12-25-21(22)24)18-14-26-19(16-9-5-2-6-10-16)13-17(18)15-7-3-1-4-8-15/h1-10,13,17-18H,11-12,14H2/t17-,18-/m0/s1
SMILES: C1CCC(C1)OC2=CC=C(C=C2)C(=O)NNC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C20H24N2O5/c23-18(13-9-11-15(12-10-13)27-14-5-1-2-6-14)21-22-19(24)16-7-3-4-8-17(16)20(25)26/h3-4,9-12,14,16-17H,1-2,5-8H2,(H,21,23)(H,22,24)(H,25,26)/t16-,17-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)[NH+]2CNC(=[N+](C2)C3=CC=CC=C3)NC4=CC=CC=C4
InChI: InChI=1S/C23H30N4/c1-18-10-9-15-22(19(18)2)26-16-24-23(25-20-11-5-3-6-12-20)27(17-26)21-13-7-4-8-14-21/h3-8,11-14,18-19,22H,9-10,15-17H2,1-2H3,(H,24,25)/p+2/t18-,19-,22+/m0/s1
SMILES: CC1=C([C@@]2(C(=O)C3=CC=CC=C3[C@@]2(N1)O)O)C(=O)OCCOC(C)C
InChI: InChI=1S/C18H21NO6/c1-10(2)24-8-9-25-16(21)14-11(3)19-18(23)13-7-5-4-6-12(13)15(20)17(14,18)22/h4-7,10,19,22-23H,8-9H2,1-3H3/t17-,18+/m0/s1
SMILES: CC[C@@H]([C@H]1[C@@H](C(=O)OC1(C)C)C(=O)OC)C(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H22O5/c1-5-12(15(19)11-9-7-6-8-10-11)14-13(16(20)22-4)17(21)23-18(14,2)3/h6-10,12-14H,5H2,1-4H3/t12-,13+,14-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2CCC3=CC=C(C=C3)F)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H21ClFNO4/c1-31-25(30)18-6-4-17(5-7-18)22-23(32-21-12-8-19(26)9-13-21)24(29)28(22)15-14-16-2-10-20(27)11-3-16/h2-13,22-23H,14-15H2,1H3/t22-,23+/m0/s1
SMILES: C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C21H26N2O3/c24-20(18-10-4-5-11-19(18)21(25)26)23-15-13-22(14-16-23)12-6-9-17-7-2-1-3-8-17/h1-9,18-19H,10-16H2,(H,25,26)/b9-6+/t18-,19+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@H]3CCCC[C@]3(CC[NH+]2CC(=O)NC4CCCCC4)O
InChI: InChI=1S/C25H38N2O4/c1-30-19-11-12-22(31-2)20(16-19)24-21-10-6-7-13-25(21,29)14-15-27(24)17-23(28)26-18-8-4-3-5-9-18/h11-12,16,18,21,24,29H,3-10,13-15,17H2,1-2H3,(H,26,28)/p+1/t21-,24+,25-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)C3=CC(=CC=C3)F
InChI: InChI=1S/C16H14FNO3/c17-11-5-3-4-10(8-11)14(19)9-18-15(20)12-6-1-2-7-13(12)16(18)21/h1-5,8,12-13H,6-7,9H2/t12-,13+
SMILES: CC(C)[C@H]1CC[C@]([C@H]2[C@@H]1[C@@H]3[C@@](O3)(CC2)C)(C)O
InChI: InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3,16)11-6-8-15(4)13(17-15)12(10)11/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13-,14+,15+/m1/s1
SMILES: CN1C=CN=C1COC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C18H19N7O6S2/c1-24-4-3-20-10(24)5-31-9-7-32-16-12(15(27)25(16)13(9)17(28)29)22-14(26)11(23-30-2)8-6-33-18(19)21-8/h3-4,6,12,16H,5,7H2,1-2H3,(H2,19,21)(H,22,26)(H,28,29)/b23-11-/t12-,16-/m1/s1
SMILES: CN(CC1=C(C=CC(=C1)Cl)OC)CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl
InChI: InChI=1S/C15H20Cl2N2O4S/c1-19(6-10-5-11(16)3-4-14(10)23-2)7-15(20)18-13-9-24(21,22)8-12(13)17/h3-5,12-13H,6-9H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=CC=N4)C=C3)C
InChI: InChI=1S/C31H41NO6/c1-6-9-22-28(35)19(2)10-7-14-31(5)26(38-31)17-24(21-13-12-20-11-8-15-32-23(20)16-21)37-27(34)18-25(33)30(3,4)29(22)36/h6,8,11-13,15-16,19,22,24-26,28,33,35H,1,7,9-10,14,17-18H2,2-5H3/t19-,22+,24-,25-,26-,28-,31+/m0/s1
SMILES: CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C(=O)[C@@H]5CC=CC[C@H]5C4=O
InChI: InChI=1S/C23H22N2O5/c1-13-9-18(14(2)25(13)15-7-8-20-21(10-15)30-12-29-20)19(26)11-24-22(27)16-5-3-4-6-17(16)23(24)28/h3-4,7-10,16-17H,5-6,11-12H2,1-2H3/t16-,17-/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C21H20O10/c1-28-14-3-2-9(4-11(14)23)15-7-13(25)18-12(24)5-10(6-16(18)30-15)29-21-20(27)19(26)17(8-22)31-21/h2-7,17,19-24,26-27H,8H2,1H3/t17-,19+,20-,21-/m1/s1
SMILES: CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)[C@@]4(CCCC[C@H]4C)NC3=O
InChI: InChI=1S/C20H24N4O3S/c1-3-13-7-8-14-15(10-13)28-18(21-14)22-16(25)11-24-17(26)20(23-19(24)27)9-5-4-6-12(20)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,23,27)(H,21,22,25)/t12-,20+/m1/s1
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)[C@@H]2[C@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C18H22N2O4/c1-10(21)19-13-3-2-4-14(9-13)20-17(22)15-11-5-7-12(8-6-11)16(15)18(23)24/h2-4,9,11-12,15-16H,5-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t11?,12?,15-,16-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C4(CC5[C@@]3(CC[C@@H](C5)O)C)N=N4)C
InChI: InChI=1S/C27H46N2O2/c1-17(7-6-12-24(2,3)31)20-8-9-21-23-22(11-14-26(20,21)5)25(4)13-10-19(30)15-18(25)16-27(23)28-29-27/h17-23,30-31H,6-16H2,1-5H3/t17-,18?,19+,20-,21+,22+,23+,25+,26-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2[C@@H](C=C[C@H]2OC1=O)N(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C
InChI: InChI=1S/C21H36N2O8SSi/c1-20(2,3)30-18(25)22-16-14(10-11-15(16)29-17(22)24)23(19(26)31-21(4,5)6)32(27,28)12-13-33(7,8)9/h10-11,14-16H,12-13H2,1-9H3/t14-,15-,16+/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=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C26H25N3O5/c30-19-6-3-14-9-20-26(31)11-17-16-5-4-15(29(32)33)10-18(16)27-22(17)24-25(26,21(14)23(19)34-24)7-8-28(20)12-13-1-2-13/h3-6,10,13,20,24,27,30-31H,1-2,7-9,11-12H2/t20-,24+,25+,26-/m1/s1
SMILES: C[C@H]1[C@H](OC(CC1=C)(C(C(=O)N[C@@H]2C3[C@@H](C(C([C@H](O3)C[C@@H](COC)OC)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C26H45NO10/c1-14-11-26(33-9,37-16(3)15(14)2)21(28)23(29)27-24-20-19(34-13-35-24)22(32-8)25(4,5)18(36-20)10-17(31-7)12-30-6/h15-22,24,28H,1,10-13H2,2-9H3,(H,27,29)/t15-,16-,17+,18-,19+,20?,21?,22?,24+,26?/m1/s1
SMILES: C1CCC(CC1)[C@@H](C#C[C@@H]2[C@H]3CCC4=C([C@H]3C[C@H]2O)C=CC(=C4)OCC(=O)O)O
InChI: InChI=1S/C24H30O5/c25-22(15-4-2-1-3-5-15)11-10-20-19-8-6-16-12-17(29-14-24(27)28)7-9-18(16)21(19)13-23(20)26/h7,9,12,15,19-23,25-26H,1-6,8,13-14H2,(H,27,28)/t19-,20-,21-,22-,23-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]\2([C@@H](C1(C)C)C[C@H](C3=C[C@@H](C/C=C2\OC)C(=C)C3=O)OC)C
InChI: InChI=1S/C24H34O5/c1-14-16-8-9-21(28-7)24(5)11-10-20(29-15(2)25)23(3,4)19(24)13-18(27-6)17(12-16)22(14)26/h9,12,16,18-20H,1,8,10-11,13H2,2-7H3/b21-9-/t16-,18-,19-,20+,24-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCN(CC(COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)C
InChI: InChI=1S/C28H55NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(22(2)31)19-23(32)21-36-28-27(35)26(34)25(33)24(20-30)37-28/h23-28,30,32-35H,3-21H2,1-2H3/t23?,24-,25-,26+,27-,28?/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)N[C@H]2CCN3[C@@H]2C(=O)N4CC[C@H]([C@H]4C3=O)OCC#C
InChI: InChI=1S/C21H23N3O5/c1-3-12-29-16-9-11-24-18(16)21(27)23-10-8-15(17(23)20(24)26)22-19(25)13-4-6-14(28-2)7-5-13/h1,4-7,15-18H,8-12H2,2H3,(H,22,25)/t15-,16+,17-,18-/m0/s1
SMILES: C1C[C@H]2[C@@H](C1)O[Si]([C@H]2C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H24OSi/c1-4-11-19(12-5-1)24-22-17-10-18-23(22)25-26(24,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22-24H,10,17-18H2/t22-,23+,24-/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)CCC(=O)O)CSC5=NC=CN5C
InChI: InChI=1S/C34H37N3O6S/c1-22-29(21-44-34-35-15-16-37(34)2)42-33(43-32(22)25-11-9-23(20-38)10-12-25)28-8-4-7-27(18-28)26-6-3-5-24(17-26)19-36-30(39)13-14-31(40)41/h3-12,15-18,22,29,32-33,38H,13-14,19-21H2,1-2H3,(H,36,39)(H,40,41)/t22-,29+,32+,33+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C15H21N5O2S2/c1-10-6-2-3-7-11(10)16-14(23)18-19-15(24)17-12-8-4-5-9-13(12)20(21)22/h4-5,8-11H,2-3,6-7H2,1H3,(H2,16,18,23)(H2,17,19,24)/t10-,11-/m0/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C(=O)OC[C@H]4CCCO4
InChI: InChI=1S/C25H31NO5/c1-15-21(24(28)31-14-18-6-5-11-30-18)22(16-7-9-17(29-4)10-8-16)23-19(26-15)12-25(2,3)13-20(23)27/h7-10,18,22-23H,5-6,11-14H2,1-4H3/t18-,22-,23-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H](C2([C@H]3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C28H19BrClNO3/c1-15(32)25-24(16-6-9-18(29)10-7-16)28(26(33)20-4-2-3-5-21(20)27(28)34)23-13-8-17-14-19(30)11-12-22(17)31(23)25/h2-14,23-25H,1H3/t23-,24+,25+/m0/s1
SMILES: CC(=O)N[C@@H]1CNC[C@@H]([C@H]1C2=CC=CC(=C2)C3=CC=CC=C3)C(=O)N(CC4=CC(=CC(=C4)OCCCOC)OC)C5CC5
InChI: InChI=1S/C35H43N3O5/c1-24(39)37-33-22-36-21-32(34(33)28-12-7-11-27(19-28)26-9-5-4-6-10-26)35(40)38(29-13-14-29)23-25-17-30(42-3)20-31(18-25)43-16-8-15-41-2/h4-7,9-12,17-20,29,32-34,36H,8,13-16,21-23H2,1-3H3,(H,37,39)/t32-,33+,34+/m0/s1
SMILES: C[C@@H](COCC1=CC(=CC=C1)C(C)(C)O)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/b24-11+,25-12-/t21-,27+,28+,29?,30-,32+/m0/s1
SMILES: CC1=CC[C@]2([C@@H](C1)N(C(=O)C2=O)C3=CC=C(C=C3)OC)C(=O)OC
InChI: InChI=1S/C18H19NO5/c1-11-8-9-18(17(22)24-3)14(10-11)19(16(21)15(18)20)12-4-6-13(23-2)7-5-12/h4-8,14H,9-10H2,1-3H3/t14-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)S(=O)C)O
InChI: InChI=1S/C19H24O3S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(23(2)22)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-,23?/m0/s1
SMILES: COC1=CC=C(C=C1)C2N([C@H]([C@@H](O2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H21NO5/c1-29-19-14-12-18(13-15-19)23-25(22(26)17-10-6-3-7-11-17)20(21(30-23)24(27)28)16-8-4-2-5-9-16/h2-15,20-21,23H,1H3,(H,27,28)/t20-,21+,23?/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C18H20ClN3O3/c1-8-11-12(15(24)22(14(11)23)17(2,3)4)18(21-8)9-6-5-7-10(19)13(9)20-16(18)25/h5-8,11-12,21H,1-4H3,(H,20,25)/t8-,11+,12-,18-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4
InChI: InChI=1S/C21H20N2O7/c24-16(12-5-6-17-15(9-12)22-18(25)11-29-17)10-30-19(26)7-8-23-20(27)13-3-1-2-4-14(13)21(23)28/h1-2,5-6,9,13-14H,3-4,7-8,10-11H2,(H,22,25)/t13-,14+
SMILES: C[C@]12CC[C@@H]3[C@]([C@H]1CC(=O)C2)(C(=O)C=C4[C@@]3(C(=O)CCC4)C(=O)OC)C
InChI: InChI=1S/C21H26O5/c1-19-8-7-14-20(2,15(19)10-13(22)11-19)17(24)9-12-5-4-6-16(23)21(12,14)18(25)26-3/h9,14-15H,4-8,10-11H2,1-3H3/t14-,15+,19-,20-,21-/m1/s1
SMILES: CN1CCC23[C@@H]4[C@@H]5[C@H](CCN4C6=CC=CC=C62)OCC=C(C1)[C@@H]5CC3=O
InChI: InChI=1S/C22H26N2O2/c1-23-10-8-22-16-4-2-3-5-17(16)24-9-6-18-20(21(22)24)15(12-19(22)25)14(13-23)7-11-26-18/h2-5,7,15,18,20-21H,6,8-13H2,1H3/t15-,18-,20-,21-,22?/m0/s1
SMILES: C1CC(C1)C(=O)N[C@H]2C[C@@H]3C(=O)N[C@H]4CCN([C@@H]4C(=O)N3C2)C(=O)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C23H28N4O5/c28-19(13-5-2-1-3-6-13)23(32)26-10-9-16-18(26)22(31)27-12-15(11-17(27)21(30)25-16)24-20(29)14-7-4-8-14/h1-3,5-6,14-19,28H,4,7-12H2,(H,24,29)(H,25,30)/t15-,16-,17+,18-,19-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C=C/Br)CO)O
InChI: InChI=1S/C13H15BrN2O5/c14-4-2-1-3-8-6-16(13(20)15-12(8)19)11-5-9(18)10(7-17)21-11/h1-4,6,9-11,17-18H,5,7H2,(H,15,19,20)/b3-1+,4-2+/t9-,10+,11+/m0/s1
SMILES: CC1=CC[C@H]([C@@H]([C@H]1CC=C(C)C)C(=O)C2=C(C=C(C=C2O)OC)O)C3=CC=CC=C3
InChI: InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21-,24+/m0/s1
SMILES: C1[C@H]2[C@H](CC(=C(Cl)Cl)O2)[C@@H]([C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CCl
InChI: InChI=1S/C22H19Cl3O3/c23-12-17-16-10-20(21(24)25)27-18(16)11-19(17)28-22(26)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19H,10-12H2/t16-,17+,18+,19-/m1/s1