EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H]([C@@]2([C@H](C1)O2)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC(=CC=C6)OCC(=O)O
InChI: InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/t23-,25-,30+/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](C(C(=NC2=C1)SCC(=O)O)C#N)C3=CC=C(C=C3)Br)C
InChI: InChI=1S/C20H19BrN2O3S/c1-20(2)7-14-18(15(24)8-20)17(11-3-5-12(21)6-4-11)13(9-22)19(23-14)27-10-16(25)26/h3-7,13,17-18H,8,10H2,1-2H3,(H,25,26)/t13?,17-,18+/m0/s1
SMILES: CCN(CC)S(=O)(=O)OC[C@]12[C@H]([C@H]3[C@@H](CO1)OS(=O)(=O)O3)OC(O2)(C)C
InChI: InChI=1S/C13H23NO10S2/c1-5-14(6-2)25(15,16)20-8-13-11(21-12(3,4)24-13)10-9(7-19-13)22-26(17,18)23-10/h9-11H,5-8H2,1-4H3/t9-,10-,11+,13+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](C[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C11H18N2O6/c1-11(2,3)19-10(16)12-7(9(14)15)4-6-5-8(6)13(17)18/h6-8H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t6-,7+,8-/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@H](C#C)O)/C=N/OCC2=CC=CC=C2)C
InChI: InChI=1S/C16H19NO4/c1-4-13(18)15-14(20-16(2,3)21-15)10-17-19-11-12-8-6-5-7-9-12/h1,5-10,13-15,18H,11H2,2-3H3/b17-10+/t13-,14+,15-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]2CO[C@@H]([C@@H]1OC(=O)C3=CC(=C4C(=C3)OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O2)OC(=O)C7=CC(=C8C(=C7)OC(O8)(C9=CC=CC=C9)C1=CC=CC=C1)O
InChI: InChI=1S/C47H36O13/c1-52-41-40(55-43(50)27-22-33(48)38-35(24-27)57-46(59-38,29-14-6-2-7-15-29)30-16-8-3-9-17-30)37-26-53-45(54-37)42(41)56-44(51)28-23-34(49)39-36(25-28)58-47(60-39,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,37,40-42,45,48-49H,26H2,1H3/t37-,40-,41+,42-,45-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2OC4CCCCO4)CCCN=[N+]=[N-])CCC5=C3C=CC(=C5)OCC6=C(C=C(C=C6)C(=O)OC)[N+](=O)[O-]
InChI: InChI=1S/C35H44N4O7/c1-35-15-14-28-27-13-11-26(45-21-25-9-8-24(34(40)43-2)20-31(25)39(41)42)18-22(27)10-12-29(28)30(35)19-23(6-5-16-37-38-36)33(35)46-32-7-3-4-17-44-32/h8-9,11,13,18,20,23,28-30,32-33H,3-7,10,12,14-17,19,21H2,1-2H3/t23-,28+,29+,30-,32?,33-,35-/m0/s1
SMILES: C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=C2C=C(C=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)NC(=O)NC3=O
InChI: InChI=1S/C23H22N4O6/c1-12-11-26-18-9-15(14-4-3-5-17(8-14)27(31)32)6-7-16(18)10-23(19(26)13(2)33-12)20(28)24-22(30)25-21(23)29/h3-9,12-13,19H,10-11H2,1-2H3,(H2,24,25,28,29,30)/t12-,13+,19-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@H](C[C@H](O6)OCCCCO)C7=CC=CC8=C7CC9=CC=CC=C98)OC)OC)OC)OC
InChI: InChI=1S/C52H62N2O8/c1-6-32-31-53-18-16-34-25-46(57-2)48(59-4)29-41(34)44(53)23-36(32)24-45-42-30-49(60-5)47(58-3)26-35(42)17-19-54(45)52(56)50-27-37(28-51(62-50)61-21-10-9-20-55)39-14-11-15-40-38-13-8-7-12-33(38)22-43(39)40/h7-8,11-15,25-27,29-30,32,36-37,44-45,51,55H,6,9-10,16-24,28,31H2,1-5H3/t32-,36+,37+,44-,45+,51-/m0/s1
SMILES: CC(=O)N1C[C@@H]([C@H]([C@@H]1[C@H]([C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H31NO13/c1-10(24)23-8-17(32-12(3)26)20(34-14(5)28)19(23)22(36-16(7)30)21(35-15(6)29)18(33-13(4)27)9-31-11(2)25/h17-22H,8-9H2,1-7H3/t17-,18-,19+,20+,21+,22+/m0/s1
SMILES: C=C1[C@H]([C@@H](N2C(=NC(=N2)CCCO)N1)C3=C(C=C(C=C3)Cl)Cl)C(=O)N
InChI: InChI=1S/C16H17Cl2N5O2/c1-8-13(15(19)25)14(10-5-4-9(17)7-11(10)18)23-16(20-8)21-12(22-23)3-2-6-24/h4-5,7,13-14,24H,1-3,6H2,(H2,19,25)(H,20,21,22)/t13-,14+/m1/s1
SMILES: CCCCC[C@@H](CC(=O)N(CC1=CC=CC=C1)OCC2=CC=CC=C2)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C
InChI: InChI=1S/C33H47NO4/c1-5-6-9-18-29(33(36)38-31-21-26(4)19-20-30(31)25(2)3)22-32(35)34(23-27-14-10-7-11-15-27)37-24-28-16-12-8-13-17-28/h7-8,10-17,25-26,29-31H,5-6,9,18-24H2,1-4H3/t26-,29+,30+,31-/m1/s1
SMILES: CCOC(=O)/C=C\[C@]12[C@H]3CCC[C@H]3[C@](C1(C)C)(N=N2)C4=CC=CC=C4
InChI: InChI=1S/C21H26N2O2/c1-4-25-18(24)13-14-20-16-11-8-12-17(16)21(23-22-20,19(20,2)3)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17H,4,8,11-12H2,1-3H3/b14-13-/t16-,17+,20-,21+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]
InChI: InChI=1S/C15H20N2O5S/c1-9-5-3-4-6-11(9)16-14(18)10(2)22-15(19)12-7-8-13(23-12)17(20)21/h7-11H,3-6H2,1-2H3,(H,16,18)/t9-,10-,11-/m1/s1
SMILES: C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CCNC(=O)N)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C52H48N6O10/c53-50(63)54-28-12-13-33-20-27-41-40(31-33)52(49(62)56(41)51(64)67-32-34-18-23-38(24-19-34)58(65)66)42(47(60)55-29-10-2-1-3-11-30-55)44-48(61)68-45(36-16-8-5-9-17-36)43(35-14-6-4-7-15-35)57(44)46(52)37-21-25-39(59)26-22-37/h4-9,14-27,31,42-46,59H,1-3,10-11,28-30,32H2,(H3,53,54,63)/t42-,43-,44-,45+,46+,52-/m0/s1
SMILES: C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](OC([C@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C12H19NO19S3.4Na/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21;;;;/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;/q;4*+1/p-4/t3-,5+,6-,7+,8+,9+,11?,12-;;;;/m0..../s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC7=CC=CC=C76)O)C(=O)N(C5=O)C(=O)OC)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C39H31Cl2N3O8/c1-51-22-11-8-20(9-12-22)39-27(35(47)44(37(39)49)42-29-15-10-21(40)17-28(29)41)18-26-24(13-14-25-31(26)36(48)43(34(25)46)38(50)52-2)33(39)32-23-6-4-3-5-19(23)7-16-30(32)45/h3-13,15-17,25-27,31,33,42,45H,14,18H2,1-2H3/t25-,26+,27-,31-,33+,39+/m0/s1
SMILES: C[C@@H]1CC(=C[C@@H]([C@@H]1CNCCNC[C@@H]2[C@H](CC(=C[C@@H]2C)C)C)C)C
InChI: InChI=1S/C22H40N2/c1-15-9-17(3)21(18(4)10-15)13-23-7-8-24-14-22-19(5)11-16(2)12-20(22)6/h9,11,17-24H,7-8,10,12-14H2,1-6H3/t17-,18-,19-,20+,21-,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N3CCC(CC3)C
InChI: InChI=1S/C17H27N3O3/c1-12-6-9-19(10-7-12)14(21)11-20-15(22)17(18-16(20)23)8-4-3-5-13(17)2/h12-13H,3-11H2,1-2H3,(H,18,23)/t13-,17+/m1/s1
SMILES: C[C@H]1[C@@](O1)(C)C(=O)C2=NN(C[C@@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H22N2O4S/c1-14-9-11-17(12-10-14)28(25,26)23-13-18(16-7-5-4-6-8-16)19(22-23)20(24)21(3)15(2)27-21/h4-12,15,18H,13H2,1-3H3/t15-,18+,21-/m0/s1
SMILES: CC([C@]\1([C@H]([C@H]([C@H]2[C@](/C1=C\CO)(CC[C@@H]3[C@@]2([C@@H]([C@@H]([C@@]4([C@]3(CC(=O)C5[C@]4(O5)C(=O)OC)O)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C)OC(=O)C)CO)OC(=O)C
InChI: InChI=1S/C38H52O17/c1-17(50-18(2)41)36(16-40)24(12-14-39)33(7)13-11-25-34(8,27(33)26(51-19(3)42)29(36)52-20(4)43)30(53-21(5)44)31(54-22(6)45)35(9)37(25,48)15-23(46)28-38(35,55-28)32(47)49-10/h12,17,25-31,39-40,48H,11,13-16H2,1-10H3/b24-12+/t17?,25-,26+,27+,28?,29+,30-,31+,33+,34+,35-,36-,37-,38+/m1/s1
SMILES: C[C@@H]([C@H]1C[C@H]2CC[C@@H]1C2)NS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C15H19N3O6S/c1-9(13-7-10-2-3-11(13)6-10)16-25(23,24)15-5-4-12(17(19)20)8-14(15)18(21)22/h4-5,8-11,13,16H,2-3,6-7H2,1H3/t9-,10-,11+,13+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)CC4=CC=CO4)C
InChI: InChI=1S/C16H21NO4S/c1-15(2)11-5-6-16(15)10-22(19,20)17(13(16)8-11)14(18)9-12-4-3-7-21-12/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t11-,13-,16-/m1/s1
SMILES: CC(C)(C)[Si]1([C@H]([C@H]2COC3=CC=CC=C3[C@H]2O1)C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C24H32O2Si/c1-23(2,3)27(24(4,5)6)22(17-12-8-7-9-13-17)19-16-25-20-15-11-10-14-18(20)21(19)26-27/h7-15,19,21-22H,16H2,1-6H3/t19-,21+,22-/m0/s1
SMILES: CC1=C(C(=O)OC(C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CCC4C3CC5C6([C@@]4(C(=O)C=CC6=O)C)O5)C)O)O)O)C
InChI: InChI=1S/C28H36O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,20-21,32-34H,8-13H2,1-5H3/t16?,17?,20?,21?,23-,24-,25-,26+,27-,28?/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@H]([C@@H]3[C@@H](CC(=O)O3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O
InChI: InChI=1S/C39H48O5Si2/c1-38(2,3)45(30-19-11-7-12-20-30,31-21-13-8-14-22-31)42-28-27-34(40)37-35(29-36(41)43-37)44-46(39(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,34-35,37,40H,27-29H2,1-6H3/t34-,35-,37-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C21H23N3/c1-15-9-5-7-13-18(15)22-21-17-12-6-8-14-19(17)23-20(24-21)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,22,23,24)/t15-,18-/m0/s1
SMILES: C[C@@H]1C[C@H](O[C@@H]2C1=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C2)C)C)(C)C)C)O)[C@@H]6C(O6)(C)C
InChI: InChI=1S/C30H46O4/c1-16-13-19(25-27(4,5)34-25)33-20-15-30(8)17(23(16)20)14-18(31)24-28(6)11-10-22(32)26(2,3)21(28)9-12-29(24,30)7/h16,18-21,24-25,31H,9-15H2,1-8H3/t16-,18+,19+,20+,21+,24+,25-,28+,29+,30+/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H15NO4S2/c1-10-8-14(10)15-7-6-13(24-15)9-16-17(21)20(19(25)26-16)12-4-2-11(3-5-12)18(22)23/h2-7,9-10,14H,8H2,1H3,(H,22,23)/p-1/b16-9-/t10-,14+/m0/s1
SMILES: CCC1=C2C(=CC=C1)C(=CN2)C(=O)COC(=O)[C@H]3C[C@@H]3C
InChI: InChI=1S/C17H19NO3/c1-3-11-5-4-6-12-14(8-18-16(11)12)15(19)9-21-17(20)13-7-10(13)2/h4-6,8,10,13,18H,3,7,9H2,1-2H3/t10-,13-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C56H69NO6Si3/c1-42(58)57-50-52(62-65(55(5,6)7,45-33-21-13-22-34-45)46-35-23-14-24-36-46)51(59)49(41-60-64(54(2,3)4,43-29-17-11-18-30-43)44-31-19-12-20-32-44)61-53(50)63-66(56(8,9)10,47-37-25-15-26-38-47)48-39-27-16-28-40-48/h11-40,49-53,59H,41H2,1-10H3,(H,57,58)/t49-,50-,51-,52-,53+/m1/s1
SMILES: CC1(CCCC2=C1C[C@@H]([C@H](C2)C(=O)OCC[NH+](C)C)C(=O)[O-])C
InChI: InChI=1S/C18H29NO4/c1-18(2)7-5-6-12-10-14(13(16(20)21)11-15(12)18)17(22)23-9-8-19(3)4/h13-14H,5-11H2,1-4H3,(H,20,21)/t13-,14-/m0/s1
SMILES: CC1=CC[C@H]2[C@@H]([C@@H]1[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)OC2=O
InChI: InChI=1S/C19H29NO5/c1-10(2)9-13(20-18(23)25-19(4,5)6)14-11(3)7-8-12-15(14)17(22)24-16(12)21/h7,10,12-15H,8-9H2,1-6H3,(H,20,23)/t12-,13-,14-,15-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H17ClN2O2/c17-11-7-5-10(6-8-11)15(20)9-14-16(21)19-13-4-2-1-3-12(13)18-14/h5-8,12-13H,1-4,9H2,(H,19,21)/t12-,13-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1OC)COC)O)OC
InChI: InChI=1S/C11H21NO6/c1-6(13)12-8-10(16-3)9(14)7(5-15-2)18-11(8)17-4/h7-11,14H,5H2,1-4H3,(H,12,13)/t7-,8-,9+,10+,11+/m1/s1
SMILES: C[C@@H]1[C@@H](O[Si](O[C@@H]1[C@H](C)/C=C\C=C)(C(C)(C)C)C(C)(C)C)[C@H](C)COCC2=CC=CC=C2
InChI: InChI=1S/C28H46O3Si/c1-11-12-16-21(2)25-23(4)26(22(3)19-29-20-24-17-14-13-15-18-24)31-32(30-25,27(5,6)7)28(8,9)10/h11-18,21-23,25-26H,1,19-20H2,2-10H3/b16-12-/t21-,22-,23+,25-,26+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C[N+]6=CC=C(C=C6)N(C)C)C)CO
InChI: InChI=1S/C39H61N2O3/c1-26(2)28-12-19-39(25-42)21-20-37(6)29(34(28)39)10-11-31-36(5)17-14-32(35(3,4)30(36)13-18-38(31,37)7)44-33(43)24-41-22-15-27(16-23-41)40(8)9/h15-16,22-23,28-32,34,42H,1,10-14,17-21,24-25H2,2-9H3/q+1/t28-,29?,30?,31?,32-,34?,36-,37+,38+,39+/m0/s1
SMILES: C[C@H]1[C@@H](CC[C@@H](O1)O[C@H]2CC[C@@H](O[C@@H]2C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O[C@@H]7C=CC(=O)[C@@H](O7)C)O)O)O)O
InChI: InChI=1S/C37H42O13/c1-17-23(38)7-11-28(47-17)49-25-9-10-26(46-19(25)3)20-5-6-21-30(32(20)41)33(42)22-13-14-36(44)16-35(4,50-29-12-8-24(39)18(2)48-29)15-27(40)37(36,45)31(22)34(21)43/h5-6,8,12-14,17-19,23,25-26,28-29,38,41,44-45H,7,9-11,15-16H2,1-4H3/t17-,18-,19+,23+,25-,26+,28-,29+,35-,36-,37-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)Br
InChI: InChI=1S/C28H20BrN3O2/c1-34-22-12-9-19(10-13-22)27(33)26-25(20-6-4-7-21(29)15-20)28(16-30,17-31)24-14-11-18-5-2-3-8-23(18)32(24)26/h2-15,24-26H,1H3/t24-,25+,26-/m0/s1
SMILES: CC1=CC(=CC(=C1)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C23H28N2O3S/c1-16-10-17(2)12-20(11-16)25(29(27,28)21-6-4-3-5-7-21)15-23(26)24-22-14-18-8-9-19(22)13-18/h3-7,10-12,18-19,22H,8-9,13-15H2,1-2H3,(H,24,26)/t18-,19-,22-/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C5CCCCC5
InChI: InChI=1S/C22H23NO2/c1-13-7-5-6-10-17(13)23-21(24)19-15-11-12-16(20(19)22(23)25)18(15)14-8-3-2-4-9-14/h5-7,10-12,15-16,19-20H,2-4,8-9H2,1H3/t15-,16+,19+,20-
SMILES: CCOC1=C2C(=NC3=CC=CC=C31)C4=CC5=C(C(O[C@H]([C@@H]5CN4C2=O)C)O)COC
InChI: InChI=1S/C23H24N2O5/c1-4-29-21-13-7-5-6-8-17(13)24-20-18-9-14-15(10-25(18)22(26)19(20)21)12(2)30-23(27)16(14)11-28-3/h5-9,12,15,23,27H,4,10-11H2,1-3H3/t12-,15-,23?/m0/s1
SMILES: CCCCCCCCCCCCOC(=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(=C(C=C6)C)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H77FN2O8/c1-6-8-9-10-11-12-13-14-15-20-34-64-55(62)59(39-42-24-26-44(57)27-25-42)52-38-50(58-63-5)48-36-43(21-16-18-31-60)47(22-17-19-32-61)53-49-37-46(66-45-28-23-40(3)41(4)35-45)29-30-51(49)67-56(52,54(48)53)65-33-7-2/h7,23-30,35-37,43,47,52-54,60-61H,2,6,8-22,31-34,38-39H2,1,3-5H3/t43-,47+,52-,53+,54+,56+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H]1CO)C(=O)OC(C)(C)C
InChI: InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16-11-8-17(7-10(11)9-18)13(20)22-15(4,5)6/h10-11,18H,7-9H2,1-6H3,(H,16,19)/t10-,11-/m1/s1
SMILES: C1C[C@H]2[C@@H](C1)[C@]3([C@@H]2C(=O)CC3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C17H18O3/c18-14-9-10-17(13-8-4-7-12(13)15(14)17)20-16(19)11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2/t12-,13+,15-,17+/m0/s1
SMILES: COCO[C@H]1[C@@H](C[C@H]([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)O)C4=CC=CC=C4OC
InChI: InChI=1S/C20H26O4/c1-22-11-24-20-15(14-5-3-4-6-17(14)23-2)10-16(21)18-12-7-8-13(9-12)19(18)20/h3-8,12-13,15-16,18-21H,9-11H2,1-2H3/t12-,13+,15-,16+,18+,19+,20-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CC=C[C@@H]1OC(=O)COCC2=CC=C(C=C2)OC)OCC3=CC(=CC=C3)OC
InChI: InChI=1S/C30H42O7Si/c1-30(2,3)38(6,7)37-29-26(35-20-23-10-8-11-25(18-23)33-5)12-9-13-27(29)36-28(31)21-34-19-22-14-16-24(32-4)17-15-22/h8-11,13-18,26-27,29H,12,19-21H2,1-7H3/t26-,27-,29-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C22H24N2O2S/c1-15-6-2-3-7-18(15)23-21(25)14-26-17-12-10-16(11-13-17)22-24-19-8-4-5-9-20(19)27-22/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,23,25)/t15-,18+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@H]3[C@@]2(C[C@@H]4[C@H]3[C@H]([C@H]4C=C)C=C)OCC5=CC=CC=C5)C
InChI: InChI=1S/C23H28O4/c1-5-15-16(6-2)18-17(15)12-23(24-13-14-10-8-7-9-11-14)19(18)25-21-20(23)26-22(3,4)27-21/h5-11,15-21H,1-2,12-13H2,3-4H3/t15-,16+,17+,18-,19-,20+,21-,23-/m1/s1
SMILES: C1=CC=C(C=C1)OC[C@@H]2[C@@H]([C@H]([C@H](N(S(=O)(=O)N2CC3=CC=C(C=C3)C4=CC=CS4)CC(=O)NC5=NC=CS5)COC6=CC=CC=C6)O)O
InChI: InChI=1S/C34H34N4O7S3/c39-31(36-34-35-17-19-47-34)21-38-29(23-45-27-10-5-2-6-11-27)33(41)32(40)28(22-44-26-8-3-1-4-9-26)37(48(38,42)43)20-24-13-15-25(16-14-24)30-12-7-18-46-30/h1-19,28-29,32-33,40-41H,20-23H2,(H,35,36,39)/t28-,29-,32+,33+/m1/s1
SMILES: CCC(CC)(CCS[C@H](C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C28H46O3S/c1-6-28(31,7-2)15-16-32-20(4)24-12-13-25-21(9-8-14-27(24,25)5)10-11-22-17-23(29)18-26(30)19(22)3/h10-11,20,23-26,29-31H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24-,25?,26+,27-/m1/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C2([C@H]3N1C4=C(C=C3)C=C(C=C4)F)C(=O)C5=CC=CC=C5C2=O)C6=C(C=C(C=C6)OC)OC
InChI: InChI=1S/C33H30FNO5/c1-32(2,3)31(38)28-27(23-13-12-20(39-4)17-25(23)40-5)33(29(36)21-8-6-7-9-22(21)30(33)37)26-15-10-18-16-19(34)11-14-24(18)35(26)28/h6-17,26-28H,1-5H3/t26-,27+,28-/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)[C@@H]2[C@H](C(=O)N2C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OC=C5
InChI: InChI=1S/C27H22N2O5/c30-25-22(16-19-11-12-23-20(15-19)13-14-33-23)24(26(31)34-17-18-7-3-1-4-8-18)29(25)27(32)28-21-9-5-2-6-10-21/h1-15,22,24H,16-17H2,(H,28,32)/t22-,24+/m1/s1
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC
InChI: InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22?,23-,24-,25?,26?,27?,28-,29+,30+,31-,32-,33+,34+,37?,38?,39?,40?,41?,42?/m1/s1
SMILES: CC/C=C/CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C
InChI: InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8+/t16-,18+,19+/m1/s1
SMILES: C1=CC=C(C=C1)C23C=CC([C@@H]4[C@@H]2C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-])[C@@H]6[C@H]3C(=O)N(C6=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C30H20N4O8/c35-26-22-21-14-15-30(16-4-2-1-3-5-16,24(22)28(37)31(26)17-6-10-19(11-7-17)33(39)40)25-23(21)27(36)32(29(25)38)18-8-12-20(13-9-18)34(41)42/h1-15,21-25H/t21?,22-,23-,24-,25+,30?/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)C3=CN=C(C=C3)CO)C(=O)O)O
InChI: InChI=1S/C14H14N2O5S/c1-6(18)9-12(19)16-10(14(20)21)11(22-13(9)16)7-2-3-8(5-17)15-4-7/h2-4,6,9,13,17-18H,5H2,1H3,(H,20,21)/t6-,9+,13-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O4/c1-30-20-14-12-18(13-15-20)22-21-23(31-27(22)19-10-6-3-7-11-19)25(29)26(24(21)28)16-17-8-4-2-5-9-17/h2-15,21-23H,16H2,1H3/t21-,22-,23+/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C23H22N2O4S/c1-3-29-17-11-9-16(10-12-17)19-18(13-24)22(25-21(26)20(19)23(27)28-2)30-14-15-7-5-4-6-8-15/h4-12,19-20H,3,14H2,1-2H3,(H,25,26)/t19-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@@H](C(=CO2)C(=O)OC)C[C@H]3[C@@]4(CCN3CC5=CC=CC=C5)C6=CC=CC=C6NC4=O)C=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C42H48N2O14/c1-7-28-29(19-34-42(31-15-11-12-16-32(31)43-41(42)50)17-18-44(34)20-27-13-9-8-10-14-27)30(38(49)51-6)21-53-39(28)58-40-37(56-26(5)48)36(55-25(4)47)35(54-24(3)46)33(57-40)22-52-23(2)45/h7-16,21,28-29,33-37,39-40H,1,17-20,22H2,2-6H3,(H,43,50)/t28-,29+,33-,34+,35-,36+,37-,39+,40-,42-/m1/s1
SMILES: CC#CCOC1=CC=C(C=C1)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(C)C
InChI: InChI=1S/C19H25N3O4/c1-4-5-10-26-15-8-6-14(7-9-15)18(23)20-17-12-22(13(2)3)11-16(17)19(24)21-25/h6-9,13,16-17,25H,10-12H2,1-3H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
SMILES: CC1CCN(N1C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C)C
InChI: InChI=1S/C14H22N4O5/c1-7-4-5-17(3)18(7)13(20)12-11(16-8(2)19)9(15)6-10(23-12)14(21)22/h6-7,9,11-12H,4-5,15H2,1-3H3,(H,16,19)(H,21,22)/t7?,9-,11+,12+/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=C4CNC(=O)OCC=C)CN(C)[C@H](C)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C40H46N2O6/c1-5-23-46-40(45)41-24-34-13-9-10-14-35(34)30-19-21-33(22-20-30)39-47-36(25-42(4)28(3)37(44)31-11-7-6-8-12-31)27(2)38(48-39)32-17-15-29(26-43)16-18-32/h5-22,27-28,36-39,43-44H,1,23-26H2,2-4H3,(H,41,45)/t27-,28+,36+,37+,38+,39+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C\2/CC[C@H]3CCCC[C@H]3C2
InChI: InChI=1S/C20H28N2O4/c1-24-17-11-15(12-18(25-2)19(17)26-3)20(23)22-21-16-9-8-13-6-4-5-7-14(13)10-16/h11-14H,4-10H2,1-3H3,(H,22,23)/b21-16-/t13-,14+/m1/s1
SMILES: CCOC(=O)CC/C=C\C[C@@H]1CO[C@@H](O[C@@H]1C2=CC=CC=C2O[Si](C)(C)C(C)(C)C)C3=CC=C(C=C3)OCCCCCCOC4=C(C=CC(=C4)C(=O)OCC)OCCN5C=CN=C5
InChI: InChI=1S/C50H68N2O10Si/c1-8-55-46(53)22-14-12-13-19-40-36-60-49(61-47(40)42-20-15-16-21-43(42)62-63(6,7)50(3,4)5)38-23-26-41(27-24-38)57-32-17-10-11-18-33-58-45-35-39(48(54)56-9-2)25-28-44(45)59-34-31-52-30-29-51-37-52/h12-13,15-16,20-21,23-30,35,37,40,47,49H,8-11,14,17-19,22,31-34,36H2,1-7H3/b13-12-/t40-,47+,49+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H](C2(C3=CC=CC=C3C4=CC=CC=C42)N(N1C#N)C5=CC=C(C=C5)Cl)C#N
InChI: InChI=1S/C25H17ClN4O2/c1-32-24(31)23-22(14-27)25(30(29(23)15-28)17-12-10-16(26)11-13-17)20-8-4-2-6-18(20)19-7-3-5-9-21(19)25/h2-13,22-23H,1H3/t22-,23+/m1/s1
SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
SMILES: C1CC[C@@H]2C/C(=N\NC(=O)CC3=CSC(=N3)N4CCOCC4)/CC[C@@H]2C1
InChI: InChI=1S/C19H28N4O2S/c24-18(12-17-13-26-19(20-17)23-7-9-25-10-8-23)22-21-16-6-5-14-3-1-2-4-15(14)11-16/h13-15H,1-12H2,(H,22,24)/b21-16-/t14-,15+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@@H]4C(=CCN5N4C(=O)N(C5=O)CCC6=NC7=CC(=C(C=C7N(C6=O)C)OC)OC)[C@@H]([C@@]3(C2=O)C8=CC=CC=C8)C9=CC=CC=C9OCCO
InChI: InChI=1S/C46H45N7O9/c1-27-14-16-29(17-15-27)48-52-41(55)32-24-35-30(40(31-12-8-9-13-37(31)62-23-22-54)46(32,43(52)57)28-10-6-5-7-11-28)18-21-51-44(58)50(45(59)53(35)51)20-19-33-42(56)49(2)36-26-39(61-4)38(60-3)25-34(36)47-33/h5-18,25-26,32,35,40,48,54H,19-24H2,1-4H3/t32-,35+,40+,46+/m0/s1
SMILES: C1CC(=O)[C@H]2[C@@H](NC(=O)NC2=C1)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H13N3O4/c18-11-3-1-2-10-12(11)13(16-14(19)15-10)8-4-6-9(7-5-8)17(20)21/h2,4-7,12-13H,1,3H2,(H2,15,16,19)/t12-,13-/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H]([C@@H](S1)SC2=CC=C(C=C2)C#N)N=[N+]=[N-])O)O
InChI: InChI=1S/C12H12N4O2S2/c13-5-7-1-3-8(4-2-7)20-12-10(15-16-14)11(18)9(17)6-19-12/h1-4,9-12,17-18H,6H2/t9-,10+,11+,12+/m1/s1
SMILES: CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NP(=O)(O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)OC4=CC=CC=C4
InChI: InChI=1S/C37H48N3O13P/c1-8-47-36(45)31(19-26-20-38-29-17-13-12-16-28(26)29)39-35(44)30(18-21(2)3)40-54(46,52-27-14-10-9-11-15-27)53-37-34(51-25(7)43)33(50-24(6)42)32(22(4)48-37)49-23(5)41/h9-17,20-22,30-34,37-38H,8,18-19H2,1-7H3,(H,39,44)(H,40,46)/t22-,30-,31-,32-,33+,34+,37-,54?/m0/s1
SMILES: CC(=O)C[C@@H]1C[C@H]2[C@H]([C@H]3N1CCC4=C3NC5=CC=CC=C45)[C@@H]([C@@]67CC/C=C\CCCCN6C[C@]28[C@H]7NCCCC/C=C\CC8)O
InChI: InChI=1S/C39H54N4O2/c1-27(44)24-28-25-31-33(35-34-30(18-23-43(28)35)29-16-10-11-17-32(29)41-34)36(45)39-20-13-7-3-5-9-15-22-42(39)26-38(31)19-12-6-2-4-8-14-21-40-37(38)39/h2-3,6-7,10-11,16-17,28,31,33,35-37,40-41,45H,4-5,8-9,12-15,18-26H2,1H3/b6-2-,7-3-/t28-,31+,33-,35-,36+,37-,38+,39-/m1/s1
SMILES: CC[C@H](C)NC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-3-10(2)18-17(25)19-13(21)9-26-14(22)8-20-15(23)11-6-4-5-7-12(11)16(20)24/h4-5,10-12H,3,6-9H2,1-2H3,(H2,18,19,21,25)/t10-,11-,12-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC5=CC=CC(=C5O[C@@H]6[C@@H]([C@@H]7CC[C@H]([C@H]8[C@]79[C@H](O6)O[C@](CC8)(OO9)C)C)C)O)C
InChI: InChI=1S/C36H50O11/c1-18-10-12-24-20(3)29(40-31-35(24)22(18)14-16-33(5,42-31)44-46-35)38-27-9-7-8-26(37)28(27)39-30-21(4)25-13-11-19(2)23-15-17-34(6)43-32(41-30)36(23,25)47-45-34/h7-9,18-25,29-32,37H,10-17H2,1-6H3/t18-,19-,20-,21-,22+,23+,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-/m1/s1
SMILES: C[C@@]1([C@@H](C(=O)C2=C(C=C(C=C2O1)CO)O)O)C3CCC(=O)O3
InChI: InChI=1S/C15H16O7/c1-15(10-2-3-11(18)21-10)14(20)13(19)12-8(17)4-7(6-16)5-9(12)22-15/h4-5,10,14,16-17,20H,2-3,6H2,1H3/t10?,14-,15+/m1/s1
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(CCO5)O
InChI: InChI=1S/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3/t16-,17-/m1/s1
SMILES: C/C=C(/C=C(\C)/C=C(\C)/C=C/C=C(\C)/C(=O)[C@@]12[C@H](O1)[C@](NC2=O)(CCO)O)\C(=O)O
InChI: InChI=1S/C22H27NO7/c1-5-16(18(26)27)12-14(3)11-13(2)7-6-8-15(4)17(25)22-19(30-22)21(29,9-10-24)23-20(22)28/h5-8,11-12,19,24,29H,9-10H2,1-4H3,(H,23,28)(H,26,27)/b7-6+,13-11+,14-12+,15-8+,16-5-/t19-,21+,22+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)OC(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOCCOC
InChI: InChI=1S/C57H84N6O15/c1-57(2,3)62-56(69)49-37-43-15-8-9-16-44(43)39-63(49)40-50(78-53(66)21-20-52(65)77-35-34-76-33-32-75-31-30-74-29-28-73-27-26-72-25-24-71-23-22-70-4)47(36-41-12-6-5-7-13-41)60-55(68)48(38-51(58)64)61-54(67)46-19-18-42-14-10-11-17-45(42)59-46/h5-7,10-14,17-19,43-44,47-50H,8-9,15-16,20-40H2,1-4H3,(H2,58,64)(H,60,68)(H,61,67)(H,62,69)/t43-,44+,47-,48-,49-,50+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC9=CC=CC=C98)O)C(=O)N(C7=O)C1=CC=CC=C1)C
InChI: InChI=1S/C44H35ClN4O5S/c1-22-29-19-24(45)14-18-34(29)55-39(22)32-21-35(47(3)46-32)49-41(52)31-20-30-27(15-16-28-36(30)42(53)48(40(28)51)25-10-5-4-6-11-25)38(44(31,2)43(49)54)37-26-12-8-7-9-23(26)13-17-33(37)50/h4-15,17-19,21,28,30-31,36,38,50H,16,20H2,1-3H3/t28-,30+,31-,36-,38+,44+/m0/s1