EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C4=NC(=NO4)CC5=CC=CC=C5)(C)C)O
InChI: InChI=1S/C28H29N3O5S/c1-4-18-10-13-21(14-11-18)37(33,34)31-25-22-17-20(12-15-23(22)35-28(2,3)26(25)32)27-29-24(30-36-27)16-19-8-6-5-7-9-19/h5-15,17,25-26,31-32H,4,16H2,1-3H3/t25-,26+/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(CC2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43
InChI: InChI=1S/C24H26N2O3/c1-2-29-24(28)21-12-19(21)16-26(15-17-8-4-3-5-9-17)23(27)13-18-14-25-22-11-7-6-10-20(18)22/h3-11,14,19,21,25H,2,12-13,15-16H2,1H3/t19-,21+/m0/s1
SMILES: CC/C=C/1\C=CC(=O)C([C@@]12[C@H](C(=C)N(C2=O)OC)O)O
InChI: InChI=1S/C14H17NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h5-7,11-12,17-18H,2,4H2,1,3H3/b9-5+/t11-,12?,14-/m0/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN(C[C@H]4CCCO4)CC5=CC=CO5)C
InChI: InChI=1S/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/t17-,19+,20+,21+,23+,25+/m0/s1
SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O)O
InChI: InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7?,14-,19+,20-,21+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NO)C=O)CO)O)Cl
InChI: InChI=1S/C13H15ClN4O5/c1-13(14)9(21)7(4-20)23-12(13)18-2-6(3-19)8-10(17-22)15-5-16-11(8)18/h2-3,5,7,9,12,20-22H,4H2,1H3,(H,15,16,17)/t7-,9-,12-,13-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CC(=O)C(C)(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C38H46Cl2N4O3/c1-8-47-31-23-27(37(2,3)4)13-18-30(31)35-41-33(25-9-14-28(39)15-10-25)34(26-11-16-29(40)17-12-26)44(35)36(46)43-21-19-42(20-22-43)24-32(45)38(5,6)7/h9-18,23,33-34H,8,19-22,24H2,1-7H3/t33-,34+/m0/s1
SMILES: C=C1C[C@@H]([C@H]2[S+]1C[C@H]([C@@H]2O)O)O.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C8H13O3S.CHF3O3S/c1-4-2-5(9)8-7(11)6(10)3-12(4)8;2-1(3,4)8(5,6)7/h5-11H,1-3H2;(H,5,6,7)/q+1;/p-1/t5-,6+,7-,8+,12?;/m0./s1
SMILES: C1=NC(=NN2C1=NN=C2[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N
InChI: InChI=1S/C9H13N7O4/c10-9-12-1-4-13-14-8(16(4)15-9)7-6(18)5(17)3(20-7)2-19-11/h1,3,5-7,17-18H,2,11H2,(H2,10,15)/t3-,5-,6-,7-/m1/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C
InChI: InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h7-8,10-14,16-17H,6,9H2,1-5H3/t10?,11-,12+,13+,14-,16-,17+,20+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@]3(C([C@]34C(=NN(C4=O)C5=CC=C(C=C5)C)C)C6=CC=C(C=C6)[N+](=O)[O-])C(=N2)C
InChI: InChI=1S/C29H25N5O4/c1-17-5-11-22(12-6-17)32-26(35)28(19(3)30-32)25(21-9-15-24(16-10-21)34(37)38)29(28)20(4)31-33(27(29)36)23-13-7-18(2)8-14-23/h5-16,25H,1-4H3/t28-,29-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C[C@@]5(C=C[C@]34C)SCC6=CC=CC=C6S5
InChI: InChI=1S/C26H30OS2/c1-24-13-14-26(28-16-17-5-3-4-6-22(17)29-26)15-18(24)7-8-19-20-9-10-23(27)25(20,2)12-11-21(19)24/h3-6,13-15,19-21H,7-12,16H2,1-2H3/t19-,20-,21-,24-,25-,26-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)CO)NC2=NC3=C(C=NN3C(=C2)NC(=O)C4=CN=CC=C4)C5CC5
InChI: InChI=1S/C22H26N6O2/c29-13-16-4-1-2-6-18(16)25-19-10-20(27-22(30)15-5-3-9-23-11-15)28-21(26-19)17(12-24-28)14-7-8-14/h3,5,9-12,14,16,18,29H,1-2,4,6-8,13H2,(H,25,26)(H,27,30)/t16-,18+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)CC(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C28H38O8/c1-25(2,13-22(32)33)14-23(34)36-15-21(31)28(35)10-8-19-18-6-5-16-11-17(29)7-9-26(16,3)24(18)20(30)12-27(19,28)4/h7,9,11,18-20,24,30,35H,5-6,8,10,12-15H2,1-4H3,(H,32,33)/t18-,19-,20-,24+,26-,27-,28-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3OC(=O)NC4=CC=C(C=C4)C
InChI: InChI=1S/C22H24N2O6/c1-13-3-7-15(8-4-13)23-21(25)29-17-11-27-20-18(12-28-19(17)20)30-22(26)24-16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t17-,18+,19-,20+
SMILES: C1C[C@]23[C@@H]4[C@@]15C=CCN4CC=C2C6=CC7=C(C=C6N3C(=O)[C@@H]5O)OCO7
InChI: InChI=1S/C20H18N2O4/c23-16-17(24)22-13-9-15-14(25-10-26-15)8-11(13)12-2-7-21-6-1-3-19(16)4-5-20(12,22)18(19)21/h1-3,8-9,16,18,23H,4-7,10H2/t16-,18-,19-,20+/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=CC(=C(C(=C6)OC)O)OC)C(=O)N(C5=O)CCC7=CC=C(C=C7)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C43H39Cl2N3O9/c1-55-27-11-6-24(7-12-27)43-31(40(52)48(42(43)54)46-33-15-8-25(44)20-32(33)45)21-30-28(37(43)23-18-34(56-2)38(50)35(19-23)57-3)13-14-29-36(30)41(53)47(39(29)51)17-16-22-4-9-26(49)10-5-22/h4-13,15,18-20,29-31,36-37,46,49-50H,14,16-17,21H2,1-3H3/t29-,30+,31-,36-,37-,43+/m0/s1
SMILES: COC1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O3/c1-24-14-9-10-18-17(11-14)15-3-2-4-16(15)19(20-18)12-5-7-13(8-6-12)21(22)23/h2-3,5-11,15-16,19-20H,4H2,1H3/t15-,16+,19+/m1/s1
SMILES: CCOC(=O)[C@@H]1CC(N[C@@H]1C2=CC=CC=C2O)(C)C(=O)OC(C)C
InChI: InChI=1S/C18H25NO5/c1-5-23-16(21)13-10-18(4,17(22)24-11(2)3)19-15(13)12-8-6-7-9-14(12)20/h6-9,11,13,15,19-20H,5,10H2,1-4H3/t13-,15-,18?/m1/s1
SMILES: C1CN(CCC12CCN(C2=O)CC3=CC=C(C=C3)CC4=CC=C(C=C4)Br)C[C@H]5CN(C[C@@H]5C6=CC=CC=C6)C(=O)C7=CC=NC=C7
InChI: InChI=1S/C39H41BrN4O2/c40-35-12-10-30(11-13-35)24-29-6-8-31(9-7-29)25-43-23-18-39(38(43)46)16-21-42(22-17-39)26-34-27-44(37(45)33-14-19-41-20-15-33)28-36(34)32-4-2-1-3-5-32/h1-15,19-20,34,36H,16-18,21-28H2/t34-,36+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C#N)OC2=CC(=C(C=C2)C#N)C(F)(F)F
InChI: InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)[C@@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C22H35N3O2/c1-4-27-21-12-8-7-11-20(21)25-15-13-24(14-16-25)18(3)22(26)23-19-10-6-5-9-17(19)2/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H,23,26)/t17-,18-,19+/m0/s1
SMILES: C[C@H](CC[C@H](C)[C@](C)(C(=O)OC)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C29H46O5/c1-17(7-8-18(2)29(5,33)26(32)34-6)22-11-12-23-21-10-9-19-15-20(30)16-25(31)28(19,4)24(21)13-14-27(22,23)3/h9-10,17-18,20,22-25,30-31,33H,7-8,11-16H2,1-6H3/t17-,18+,20-,22-,23+,24+,25+,27-,28+,29-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br
InChI: InChI=1S/C18H19BrN2O3/c19-14-3-4-16-20-15(8-17(22)21(16)9-14)10-24-18(23)7-13-6-11-1-2-12(13)5-11/h3-4,8-9,11-13H,1-2,5-7,10H2/t11-,12+,13+/m0/s1
SMILES: C[C@@H](CCC=C(C)C)N1C[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C1=O)C(=O)O
InChI: InChI=1S/C17H23NO4/c1-10(2)5-4-6-11(3)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h5,7-8,11-14H,4,6,9H2,1-3H3,(H,20,21)/t11-,12+,13-,14+,17+/m0/s1
SMILES: CCCCCCCC(=O)OC[C@@H]1[C@H](N(C(=O)O1)CCCC)CC2=CC=CC=C2
InChI: InChI=1S/C23H35NO4/c1-3-5-7-8-12-15-22(25)27-18-21-20(17-19-13-10-9-11-14-19)24(16-6-4-2)23(26)28-21/h9-11,13-14,20-21H,3-8,12,15-18H2,1-2H3/t20-,21-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CSC4=CC=[N+](C=C4)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C21H27N3O4S2/c1-11-17-16(12(2)25)20(26)24(17)18(21(27)28)19(11)30-15-8-13(22-9-15)10-29-14-4-6-23(3)7-5-14/h4-7,11-13,15-17,22,25H,8-10H2,1-3H3/p+1/t11-,12-,13+,15+,16-,17-/m1/s1
SMILES: C1CC2=C([C@H]3[C@@H]1OC(=O)O3)C4=C(C=C2)C5=CC=CC=C5C=C4
InChI: InChI=1S/C19H14O3/c20-19-21-16-10-7-12-6-8-14-13-4-2-1-3-11(13)5-9-15(14)17(12)18(16)22-19/h1-6,8-9,16,18H,7,10H2/t16-,18-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)NC(=S)N[C@@H]3[C@@H]([C@@H]([C@@H]([C@@]3(COCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C55H60N2O10S/c58-46-47(59)52(60)55(66-36-44-29-17-6-18-30-44,38-62-32-40-21-9-2-10-22-40)51(46)56-54(68)57-53-50(65-35-43-27-15-5-16-28-43)49(64-34-42-25-13-4-14-26-42)48(63-33-41-23-11-3-12-24-41)45(67-53)37-61-31-39-19-7-1-8-20-39/h1-30,45-53,58-60H,31-38H2,(H2,56,57,68)/t45-,46-,47+,48-,49+,50-,51-,52+,53+,55+/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)N=O
InChI: InChI=1S/C14H10Cl2N4O5/c1-2-25-14(23)10-9-11(20(17-10)18-24)13(22)19(12(9)21)8-4-6(15)3-7(16)5-8/h3-5,9,11H,2H2,1H3/t9-,11-/m1/s1
SMILES: COC1=CC=CC2=C1[C@@H]3CN(C[C@H]3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O
InChI: InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)/t19-,20+/m0/s1
SMILES: C1CC1CN[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C19H25IN2O4/c20-14-3-1-2-4-16(14)26-17-10-13(19(25)21-7-8-23)9-15(18(17)24)22-11-12-5-6-12/h1-4,10,12,15,17-18,22-24H,5-9,11H2,(H,21,25)/t15-,17+,18+/m1/s1
SMILES: CN(C)C1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C34H36N3O2P/c1-37(2)31-23-13-9-19-27(31)33(38)35-29-21-11-12-22-30(29)36-34(39)28-20-10-14-24-32(28)40(25-15-5-3-6-16-25)26-17-7-4-8-18-26/h3-10,13-20,23-24,29-30H,11-12,21-22H2,1-2H3,(H,35,38)(H,36,39)/t29-,30-/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=NC(=NN2CCN(C3CCCC3)C(=O)N[C@@H]4C[C@H]4C5=CC=CC=C5)C6=CC=NC=C6)Cl
InChI: InChI=1S/C31H33ClN6O2/c1-40-28-12-11-23(19-26(28)32)30-35-29(22-13-15-33-16-14-22)36-38(30)18-17-37(24-9-5-6-10-24)31(39)34-27-20-25(27)21-7-3-2-4-8-21/h2-4,7-8,11-16,19,24-25,27H,5-6,9-10,17-18,20H2,1H3,(H,34,39)/t25-,27+/m0/s1
SMILES: C[C@@H]1C[C@@H](C(=C([C@]1(C)CC/C(=C/CC/C(=C/I)/C)/C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O
InChI: InChI=1S/C27H36INO5/c1-18(7-6-8-19(2)16-28)13-14-27(5)20(3)15-24(30)25(21(27)4)26(31)34-17-22-9-11-23(12-10-22)29(32)33/h7,9-12,16,20,24,30H,6,8,13-15,17H2,1-5H3/b18-7+,19-16+/t20-,24+,27-/m1/s1
SMILES: COC1=C(C=C(C(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)F)ON2C5=CC=CC=C5)[N+](=O)[O-])OC
InChI: InChI=1S/C25H20FN3O7/c1-34-19-12-17(18(29(32)33)13-20(19)35-2)22-21-23(36-28(22)15-8-4-3-5-9-15)25(31)27(24(21)30)16-10-6-7-14(26)11-16/h3-13,21-23H,1-2H3/t21-,22-,23+/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCC8=CC=C(C=C8)O)O
InChI: InChI=1S/C42H35Cl2F3N4O8/c1-58-25-16-31(53)34(32(17-25)59-2)35-26-11-12-27-33(39(56)50(37(27)54)14-13-20-3-9-24(52)10-4-20)28(26)18-29-38(55)51(40(57)41(29,35)21-5-7-23(43)8-6-21)49-36-30(44)15-22(19-48-36)42(45,46)47/h3-11,15-17,19,27-29,33,35,52-53H,12-14,18H2,1-2H3,(H,48,49)/t27-,28+,29-,33-,35+,41+/m0/s1
SMILES: C1CCC(CC1)[C@@H](C#C[C@H]2[C@@H](C[C@H]([C@@H]2CCCCSCC(=O)O)Cl)O)O
InChI: InChI=1S/C20H31ClO4S/c21-17-12-19(23)16(9-10-18(22)14-6-2-1-3-7-14)15(17)8-4-5-11-26-13-20(24)25/h14-19,22-23H,1-8,11-13H2,(H,24,25)/t15-,16-,17-,18-,19-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCC[C@H]6CO
InChI: InChI=1S/C33H36N4O5/c1-21-30(18-37-15-5-8-26(37)20-39)41-33(42-31(21)23-13-11-22(19-38)12-14-23)24-6-4-7-25(16-24)35-32(40)29-17-34-27-9-2-3-10-28(27)36-29/h2-4,6-7,9-14,16-17,21,26,30-31,33,38-39H,5,8,15,18-20H2,1H3,(H,35,40)/t21-,26-,30+,31+,33+/m0/s1
SMILES: C[C@@H]1[C@H]([NH2+][C@@H]([C@H](C1O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO/c1-13-17(15-9-5-3-6-10-15)20-18(14(2)19(13)21)16-11-7-4-8-12-16/h3-14,17-21H,1-2H3/p+1/t13-,14-,17+,18+/m1/s1
SMILES: COCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C14H14F2N2O4S2/c1-22-5-13(19)17-14-18(10-3-2-8(15)4-9(10)16)11-6-24(20,21)7-12(11)23-14/h2-4,11-12H,5-7H2,1H3/t11-,12+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@]6([C@@]5(C[C@@H]([C@H](C6)O)O)C)O)C)C)OC1
InChI: InChI=1S/C27H42O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-21,23,28-29,31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21+,23+,24+,25-,26+,27-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)C4=CC5=CC=CC=C5O4
InChI: InChI=1S/C22H22N2O2/c1-14-7-8-18-16(11-14)17-13-23(2)10-9-19(17)24(18)22(25)21-12-15-5-3-4-6-20(15)26-21/h3-8,11-12,17,19H,9-10,13H2,1-2H3/t17-,19-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CO8)O)O
InChI: InChI=1S/C33H34O14/c1-37-21-7-14(8-22(38-2)29(21)39-3)24-15-9-19-20(44-13-43-19)10-16(15)28(17-11-41-31(36)25(17)24)46-33-27(35)26(34)30-23(45-33)12-42-32(47-30)18-5-4-6-40-18/h4-10,17,23-28,30,32-35H,11-13H2,1-3H3/t17?,23?,24-,25+,26?,27?,28+,30?,32?,33?/m1/s1
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC=C)(C)OC)N(C)C)O)CC=O)C)O)C
InChI: InChI=1S/C41H67NO14/c1-12-31(45)54-30-22-32(46)51-25(4)17-15-14-16-18-29(44)24(3)21-28(19-20-43)37(38(30)48-10)56-40-35(47)34(42(8)9)36(26(5)53-40)55-33-23-41(7,49-11)39(50-13-2)27(6)52-33/h13-16,18,20,24-30,33-40,44,47H,2,12,17,19,21-23H2,1,3-11H3/b15-14+,18-16+/t24-,25-,26-,27+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCCC(C)C)[C@H]2CCC([C@]2(C)CC=C)O
InChI: InChI=1S/C24H38O4S/c1-6-16-24(5)22(14-15-23(24)25)20(9-7-8-18(2)3)17-28-29(26,27)21-12-10-19(4)11-13-21/h6,10-13,18,20,22-23,25H,1,7-9,14-17H2,2-5H3/t20-,22+,23?,24+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\C3CCOCC3)/C4=CSC(=N4)N)C(=O)O)C
InChI: InChI=1S/C19H24N4O5S2/c1-19(2)13(17(26)27)23-15(25)12(16(23)30-19)22-14(24)10(11-8-29-18(20)21-11)7-9-3-5-28-6-4-9/h7-9,12-13,16H,3-6H2,1-2H3,(H2,20,21)(H,22,24)(H,26,27)/b10-7-/t12-,13+,16-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3CCCCC3
InChI: InChI=1S/C20H32N4O4/c1-13-8-6-7-11-15(13)21-18(27)22-16(25)12-24-17(26)20(2,23-19(24)28)14-9-4-3-5-10-14/h13-15H,3-12H2,1-2H3,(H,23,28)(H2,21,22,25,27)/t13-,15-,20-/m1/s1
SMILES: CON1[C@@H]2CCCC[C@@H]2N([C@@]3([C@]1(C4=CC=CC=C4C3=O)O)O)OC
InChI: InChI=1S/C17H22N2O5/c1-23-18-13-9-5-6-10-14(13)19(24-2)17(22)15(20)11-7-3-4-8-12(11)16(17,18)21/h3-4,7-8,13-14,21-22H,5-6,9-10H2,1-2H3/t13-,14+,16+,17-/m1/s1
SMILES: CC[C@@]1([C@@H](C1(C(=O)OC)C(=O)OC)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C23H24O5/c1-5-22(19(24)17-13-11-15(2)12-14-17)18(16-9-7-6-8-10-16)23(22,20(25)27-3)21(26)28-4/h6-14,18H,5H2,1-4H3/t18-,22+/m0/s1
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CCC3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18?,19-,21-,22-/m0/s1
SMILES: C[C@@H]1[C@H]2[C@H](N(C(=O)N([C@@H]2N(C(=O)N1C)C)C)C)C3=CC(=C(C=C3)O)OC
InChI: InChI=1S/C18H26N4O4/c1-10-14-15(11-7-8-12(23)13(9-11)26-6)20(3)18(25)22(5)16(14)21(4)17(24)19(10)2/h7-10,14-16,23H,1-6H3/t10-,14+,15-,16+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C=CC(=O)O)CO)O
InChI: InChI=1S/C11H13N3O7/c15-4-7-6(16)3-8(21-7)14-11(20)12-10(19)5(13-14)1-2-9(17)18/h1-2,6-8,15-16H,3-4H2,(H,17,18)(H,12,19,20)/t6-,7+,8+/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN=C(C=C3)C4([C@H]5[C@@H]4CNC5)C#N)F
InChI: InChI=1S/C23H22FN5O3/c1-13(30)27-8-16-11-29(22(31)32-16)15-3-4-17(20(24)6-15)14-2-5-21(28-7-14)23(12-25)18-9-26-10-19(18)23/h2-7,16,18-19,26H,8-11H2,1H3,(H,27,30)/t16-,18-,19+,23?/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)CN(C)[C@H](C)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C38H44N2O5/c1-25-35(23-40(4)26(2)36(43)30-11-6-5-7-12-30)44-38(45-37(25)31-18-16-28(24-41)17-19-31)34-15-9-14-33(21-34)32-13-8-10-29(20-32)22-39-27(3)42/h5-21,25-26,35-38,41,43H,22-24H2,1-4H3,(H,39,42)/t25-,26-,35+,36-,37+,38+/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]([C@H]2CC(CC[C@@H]2C(=C)C)(C)C)C(=O)OC
InChI: InChI=1S/C21H30O2S/c1-14(2)17-11-12-21(4,5)13-18(17)19(20(22)23-6)24-16-9-7-15(3)8-10-16/h7-10,17-19H,1,11-13H2,2-6H3/t17-,18+,19+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3OC(F)F
InChI: InChI=1S/C17H18F2N2O4/c18-17(19)25-13-8-4-3-7-12(13)20-14(22)9-21-15(23)10-5-1-2-6-11(10)16(21)24/h3-4,7-8,10-11,17H,1-2,5-6,9H2,(H,20,22)/t10-,11-/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H](C(O2)COP(=O)(NC(CCC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(=O)O)O)O)O.[Ag+].[Ag+]
InChI: InChI=1S/C29H43N8O20PS2.2Ag/c30-12(27(49)50)1-3-17(38)33-14(24(47)31-7-20(41)42)10-59-60-11-15(25(48)32-8-21(43)44)34-18(39)4-2-13(28(51)52)36-58(54,55)56-9-16-22(45)23(46)26(57-16)37-6-5-19(40)35-29(37)53;;/h5-6,12-16,22-23,26,45-46H,1-4,7-11,30H2,(H,31,47)(H,32,48)(H,33,38)(H,34,39)(H,41,42)(H,43,44)(H,49,50)(H,51,52)(H,35,40,53)(H2,36,54,55);;/q;2*+1/t12?,13?,14?,15?,16?,22-,23-,26-;;/m0../s1
SMILES: CC(=O)C1=CC2=C3C(=C1)[C@@H]4C=CC[C@@H]4[C@@H](N3C[C@@H]5[C@@H]2C=CC5)C6=CC=C(C=C6)F
InChI: InChI=1S/C26H24FNO/c1-15(29)18-12-23-20-5-2-4-17(20)14-28-25(16-8-10-19(27)11-9-16)22-7-3-6-21(22)24(13-18)26(23)28/h2-3,5-6,8-13,17,20-22,25H,4,7,14H2,1H3/t17-,20+,21-,22+,25+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=CC4=O)C)O
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h5-6,12-16,20H,3-4,7-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
SMILES: CC1=C(C(=NN1[C@@H]2CCS(=O)(=O)C2)C)CN(C)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H28N4O4S/c1-13-18(14(2)24(21-13)15-8-9-29(27,28)11-15)10-22(3)12-23-19(25)16-6-4-5-7-17(16)20(23)26/h4-5,15-17H,6-12H2,1-3H3/t15-,16-,17+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)OC2=CC=C(C=C2)OC
InChI: InChI=1S/C19H32O5Si/c1-6-25(7-2,8-3)24-17-13-18(22-14(4)19(17)20)23-16-11-9-15(21-5)10-12-16/h9-12,14,17-20H,6-8,13H2,1-5H3/t14-,17-,18+,19-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)OC)C)C)C
InChI: InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h10,23-26H,11-20H2,1-9H3/t23-,24+,25-,26+,30+,31-,32-,33+/m1/s1
SMILES: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O
InChI: InChI=1S/C37H52N7O24P3S/c1-19(45)8-20(46)9-21(47)10-22(48)11-23(49)12-24(50)13-25(51)14-28(53)72-7-6-39-27(52)4-5-40-35(56)32(55)37(2,3)16-65-71(62,63)68-70(60,61)64-15-26-31(67-69(57,58)59)30(54)36(66-26)44-18-43-29-33(38)41-17-42-34(29)44/h17-18,26,30-32,36,54-55H,4-16H2,1-3H3,(H,39,52)(H,40,56)(H,60,61)(H,62,63)(H2,38,41,42)(H2,57,58,59)/p-4/t26-,30-,31-,32-,36-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=C(C=CC6=CC=CC=C65)O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C42H37NO5/c1-41(2,3)43-39(47)29-20-19-28-31(35(29)40(43)48)22-32-38(46)30(24-12-6-4-7-13-24)23-34(45)42(32,26-15-8-5-9-16-26)37(28)36-27-17-11-10-14-25(27)18-21-33(36)44/h4-19,21,23,29,31-32,35,37,44H,20,22H2,1-3H3/t29-,31+,32-,35-,37+,42-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C19H22N2O9/c1-28-10-3-4-13(29-2)11(7-10)12(23)8-21-15(24)5-6-20(19(21)27)18-17(26)16(25)14(9-22)30-18/h3-7,14,16-18,22,25-26H,8-9H2,1-2H3/t14-,16-,17+,18-/m1/s1
SMILES: CN1C(=O)[C@@]23C[C@]4([C@@H](N2C(=O)[C@@]1(SS3)CO)NC5=CC=CC=C54)[C@]67C[C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)CO)C
InChI: InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
SMILES: C1=CC=C(C=C1)CCCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C17H26O6/c18-11-13-14(19)15(20)16(21)17(23-13)22-10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t13-,14+,15+,16-,17-/m1/s1
SMILES: CC1=CC2=C([C@@H]3C4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)OCO7)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C43H42F7N3O12S/c1-16-9-20-10-22-37(56)53-23-13-61-38(57)40(21-12-24(59-5)25(11-19(21)7-8-51-40)65-39(58)41(44,45)42(46,47)43(48,49)50)14-66-36(30(53)29(52(22)4)26(20)31(55)32(16)60-6)28-27(23)35-34(62-15-63-35)17(2)33(28)64-18(3)54/h9,11-12,22-23,29-30,36-37,51,55-56H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30?,36+,37-,40+/m0/s1
SMILES: C[C@H]1C(=C)C[C@@H](OC(=O)CC1=O)[C@@H]2[C@H](O2)CC(=C)/C=C/[C@H]([C@@H](C)C(=C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C31H50O5Si/c1-18(2)24(11)27(36-37(19(3)4,20(5)6)21(7)8)14-13-22(9)15-28-31(35-28)29-16-23(10)25(12)26(32)17-30(33)34-29/h13-14,19-21,24-25,27-29,31H,1,9-10,15-17H2,2-8,11-12H3/b14-13+/t24-,25-,27+,28+,29+,31-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H]([C@H]([C@@H]1O)O)N=C(S2)NCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H23N3O3S/c25-16-11-15(20(27)23-14-9-5-2-6-10-14)19-17(18(16)26)24-21(28-19)22-12-13-7-3-1-4-8-13/h1-10,15-19,25-26H,11-12H2,(H,22,24)(H,23,27)/t15-,16+,17-,18-,19+/m0/s1
SMILES: C1CC[NH+](CC1)[C@@]23[C@@H](CCCNC2=O)C4=C(O3)C5=CC=CC=C5C(=C4)O
InChI: InChI=1S/C21H24N2O3/c24-18-13-16-17-9-6-10-22-20(25)21(17,23-11-4-1-5-12-23)26-19(16)15-8-3-2-7-14(15)18/h2-3,7-8,13,17,24H,1,4-6,9-12H2,(H,22,25)/p+1/t17-,21+/m0/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6CCCCC6)C)O)C(=O)CC7=CC(=C(C=C7)OC)OC
InChI: InChI=1S/C42H59NO6/c1-6-22-43(36(45)24-28-12-13-32(48-4)33(23-28)49-5)27-41(47)19-16-35-39(41,3)18-15-34-38(2)17-14-30(44)25-40(38)20-21-42(34,35)31(26-40)37(46)29-10-8-7-9-11-29/h12-13,20-21,23,26,29-30,34-35,44,47H,6-11,14-19,22,24-25,27H2,1-5H3/t30?,34-,35-,38-,39+,40+,41-,42-/m1/s1
SMILES: CCOC(=S)SC(CCC(=O)C1=CC=C(C=C1)Cl)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC
InChI: InChI=1S/C21H27ClO6S2/c1-5-25-20(29)30-15(11-10-14(23)12-6-8-13(22)9-7-12)16-17(24-4)18-19(26-16)28-21(2,3)27-18/h6-9,15-19H,5,10-11H2,1-4H3/t15?,16-,17+,18-,19-/m1/s1
SMILES: C1C[C@@H]([C@@H](C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC#N
InChI: InChI=1S/C21H24N2/c22-15-14-20-12-7-13-21(20)23(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-14,16-17H2/t20-,21-/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](O[C@]3(C1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C(C7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)O2)C(C)(C)OC
InChI: InChI=1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19+,20-,21?,22+,23+,24+,25-,26?,27-,28+,29-,32-,33-,34-,35+,36+/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H26N2O6/c1-13(19(25)22-16-9-5-6-10-17(16)28-2)29-18(24)11-12-23-20(26)14-7-3-4-8-15(14)21(23)27/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,22,25)/t13-,14-,15+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H](CCCCCCC(=O)OC(C)(C)C)N=C(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C36H48N2O5S/c1-34(2,3)43-31(39)21-15-7-6-14-20-29(37-32(26-16-10-8-11-17-26)27-18-12-9-13-19-27)33(40)38-30-24-28-22-23-36(30,35(28,4)5)25-44(38,41)42/h8-13,16-19,28-30H,6-7,14-15,20-25H2,1-5H3/t28-,29+,30-,36-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)[N+](=O)[O-])CCCCO)CCCCO)N(CCOCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C52H67N3O11/c1-2-29-63-52-48(54(25-30-62-31-28-58)49(59)24-21-37-13-6-7-14-37)35-46(53-64-36-38-15-4-3-5-16-38)44-32-39(17-8-10-26-56)43(20-9-11-27-57)50(51(44)52)45-34-42(22-23-47(45)66-52)65-41-19-12-18-40(33-41)55(60)61/h2-5,12,15-16,18-19,22-23,32-34,37,39,43,48,50-51,56-58H,1,6-11,13-14,17,20-21,24-31,35-36H2/t39-,43+,48-,50+,51+,52+/m0/s1
SMILES: C[C@@]12[C@H](C[C@@H]([C@@]3(CC[C@@H](C3(C)C)[C@H](C1=O)OCOC)O)O[Si](C)(C)C(C)(C)C)[C@@](C=C[C@@H]2O)(COCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5
InChI: InChI=1S/C42H62O9Si/c1-38(2,3)52(9,10)51-35-24-33-40(6,37(44)36(49-28-46-7)32-20-23-42(35,45)39(32,4)5)34(43)21-22-41(33,50-26-29-14-12-11-13-15-29)27-48-25-30-16-18-31(47-8)19-17-30/h11-19,21-22,32-36,43,45H,20,23-28H2,1-10H3/t32-,33+,34+,35+,36-,40+,41-,42-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl)C(=O)OC
InChI: InChI=1S/C23H21ClN2O4S/c1-3-30-16-10-8-14(9-11-16)19-17(12-25)22(26-21(27)20(19)23(28)29-2)31-13-15-6-4-5-7-18(15)24/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)/t19-,20-/m0/s1
SMILES: CC(C=C)O[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/C38H42O6/c1-3-29(2)43-38-37(42-27-33-22-14-7-15-23-33)36(41-26-32-20-12-6-13-21-32)35(40-25-31-18-10-5-11-19-31)34(44-38)28-39-24-30-16-8-4-9-17-30/h3-23,29,34-38H,1,24-28H2,2H3/t29?,34-,35+,36+,37-,38-/m1/s1