EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)OCCN1CCOCC1)NC(=O)C)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-]
InChI: InChI=1S/C34H54N8O15/c1-17(2)26(32(49)37-18(3)33(50)52-14-11-42-9-12-51-13-10-42)39-25(47)15-36-31(48)27(38-20(5)43)19(4)54-34-28(40-41-35)30(56-23(8)46)29(55-22(7)45)24(57-34)16-53-21(6)44/h17-19,24,26-30,34H,9-16H2,1-8H3,(H,36,48)(H,37,49)(H,38,43)(H,39,47)/t18-,19+,24+,26-,27-,28+,29-,30+,34-/m0/s1
SMILES: C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(CO2)C)O)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC
InChI: InChI=1S/C20H23F3O5/c1-16-11-27-17(2)10-14(13(16)9-18(16,17)25)28-15(24)19(26-3,20(21,22)23)12-7-5-4-6-8-12/h4-8,13-14,25H,9-11H2,1-3H3/t13-,14+,16+,17-,18+,19+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](O[C@@H]1OC(=N)C(Cl)(Cl)Cl)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H30Cl3NO5/c30-29(31,32)28(33)38-26-16-24(35-18-22-12-6-2-7-13-22)27(36-19-23-14-8-3-9-15-23)25(37-26)20-34-17-21-10-4-1-5-11-21/h1-15,24-27,33H,16-20H2/t24-,25-,26-,27+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2CCN3C(=CC4=CC=CC=C43)C2)C(C)C
InChI: InChI=1S/C23H31NO2/c1-15(2)20-9-8-16(3)12-22(20)26-23(25)18-10-11-24-19(14-18)13-17-6-4-5-7-21(17)24/h4-7,13,15-16,18,20,22H,8-12,14H2,1-3H3/t16-,18-,20+,22-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](C2=O)N4C5=CC=CC=C5SC4=N3
InChI: InChI=1S/C18H13N3O2S/c1-10-5-4-6-11(9-10)20-16(22)14-15(17(20)23)21-12-7-2-3-8-13(12)24-18(21)19-14/h2-9,14-15H,1H3/t14-,15-/m1/s1
SMILES: COC(=O)C1=C(C=NC=C1)C(=O)N(C[C@H]2C[C@H]3C[C@@H]2C=C3)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H24N2O5/c1-29-24(28)19-6-7-25-11-20(19)23(27)26(13-18-9-15-2-4-17(18)8-15)12-16-3-5-21-22(10-16)31-14-30-21/h2-7,10-11,15,17-18H,8-9,12-14H2,1H3/t15-,17+,18-/m1/s1
SMILES: CC(=O)N1[C@@H]2[C@H]1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(C5(C4=O)OCCO5)CSC6=CC=CS6)COC(=O)N)OC
InChI: InChI=1S/C23H25N3O8S2/c1-11(27)26-14-8-25-17-16(12(9-32-21(24)30)22(25,31-2)19(14)26)20(29)23(33-5-6-34-23)13(18(17)28)10-36-15-4-3-7-35-15/h3-4,7,12-14,19H,5-6,8-10H2,1-2H3,(H2,24,30)/t12-,13?,14+,19+,22-,26?/m1/s1
SMILES: CN(C)C1OC2C=C[C@@H]3[C@H](C2O1)[C@H]4[C@@]3(C5=CC=CC=C5C6=CC=CC=C46)C(=O)OC
InChI: InChI=1S/C25H25NO4/c1-26(2)24-29-19-13-12-18-20(22(19)30-24)21-16-10-5-4-8-14(16)15-9-6-7-11-17(15)25(18,21)23(27)28-3/h4-13,18-22,24H,1-3H3/t18-,19?,20+,21+,22?,24?,25+/m1/s1
SMILES: C[C@H](CC[C@H](CCO)C(C)C)[C@H]1[C@H]([C@H]([C@@H]2[C@@]1(CC[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)O)C)O)O
InChI: InChI=1S/C29H52O7/c1-15(2)17(10-13-30)7-6-16(3)21-24(34)25(35)26-28(21,5)12-9-20-27(4)11-8-18(31)23(33)22(27)19(32)14-29(20,26)36/h15-26,30-36H,6-14H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24-,25-,26-,27-,28-,29+/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@]2([C@H]([C@]1(C)CC[C@@](C)(C=C)O)CC(=O)C=C2C)C)OC(=O)C
InChI: InChI=1S/C22H34O4/c1-8-20(5,25)9-10-21(6)14(2)12-19(26-16(4)23)22(7)15(3)11-17(24)13-18(21)22/h8,11,14,18-19,25H,1,9-10,12-13H2,2-7H3/t14-,18+,19-,20-,21-,22+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24OCC(CO4)(C)C)CCC5=C3CCC6(C5)OCC(CO6)(C)C
InChI: InChI=1S/C28H44O4/c1-24(2)15-29-27(30-16-24)12-9-20-19(14-27)6-7-22-21(20)8-11-26(5)23(22)10-13-28(26)31-17-25(3,4)18-32-28/h21-23H,6-18H2,1-5H3/t21-,22-,23+,26+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@]4(C=C[C@]3(O4)C)CO)[N+](=O)[O-]
InChI: InChI=1S/C17H16N2O6/c1-9-3-4-10(7-11(9)19(23)24)18-14(21)12-13(15(18)22)17(8-20)6-5-16(12,2)25-17/h3-7,12-13,20H,8H2,1-2H3/t12-,13+,16-,17-/m1/s1
SMILES: CCC1([C@@H]([C@@H](N[C@H]([C@H]1C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C)O
InChI: InChI=1S/C21H25Cl2NO/c1-4-21(25)13(2)19(15-5-9-17(22)10-6-15)24-20(14(21)3)16-7-11-18(23)12-8-16/h5-14,19-20,24-25H,4H2,1-3H3/t13-,14-,19-,20-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@H]([C@H](C2=O)NC(=O)C3=CC=C(C=C3)C#N)SC1)C(=O)[O-]
InChI: InChI=1S/C18H15N3O6S/c1-9(22)27-7-12-8-28-17-13(16(24)21(17)14(12)18(25)26)20-15(23)11-4-2-10(6-19)3-5-11/h2-5,13,17H,7-8H2,1H3,(H,20,23)(H,25,26)/p-1/t13-,17-/m0/s1
SMILES: CCOC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H24ClN3O4/c1-2-27-17(24)11-16-18(25)22-14-5-3-4-6-15(14)23(16)19(26)21-13-9-7-12(20)8-10-13/h7-10,14-16H,2-6,11H2,1H3,(H,21,26)(H,22,25)/t14-,15+,16+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC(=O)[C@]3(C)CCC(=O)O)O)C
InChI: InChI=1S/C20H30O5/c1-11(21)13-5-6-14-12-4-7-16(23)19(2,9-8-17(24)25)18(12)15(22)10-20(13,14)3/h12-15,18,22H,4-10H2,1-3H3,(H,24,25)/t12-,13+,14-,15+,18+,19-,20+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC3=CC=CC=C3S2
InChI: InChI=1S/C19H22N2O4S/c1-12-6-2-4-8-14(12)20-19(24)21-17(22)11-25-18(23)16-10-13-7-3-5-9-15(13)26-16/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H2,20,21,22,24)/t12-,14+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N2CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4)N6C=NC=N6
InChI: InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O
InChI: InChI=1S/C51H53NO12/c1-2-27-58-50-42(52-48(55)38-25-15-16-26-39(38)49(52)56)45(43(54)40(28-53)62-50)64-51-47(61-32-37-23-13-6-14-24-37)46(60-31-36-21-11-5-12-22-36)44(59-30-35-19-9-4-10-20-35)41(63-51)33-57-29-34-17-7-3-8-18-34/h2-26,40-47,50-51,53-54H,1,27-33H2/t40-,41-,42-,43-,44+,45-,46+,47-,50-,51-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2[C@@H](C=C[C@H]2OC1=O)N(C(=O)C3=CC=C(N3)[Si](C)(C)C)S(=O)(=O)CC[Si](C)(C)C
InChI: InChI=1S/C24H39N3O7SSi2/c1-24(2,3)34-23(30)26-20-17(11-12-18(20)33-22(26)29)27(35(31,32)14-15-36(4,5)6)21(28)16-10-13-19(25-16)37(7,8)9/h10-13,17-18,20,25H,14-15H2,1-9H3/t17-,18-,20+/m1/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC(=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)[N+](=O)[O-])C
InChI: InChI=1S/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21-,22+,23+,24-,25+,28+,29+/m0/s1
SMILES: CC1C=C2[C@@]([C@H]3C1[C@@]4(C(C3OC(=O)C)[C@@H]5[C@H](C(=O)C6C[C@H]7[C@H](O7)C([C@@]6(C5C(C4OC(=O)C)OC(=O)C)C)OC(=O)C)O)C)([C@](C(=O)O2)(C)O)C
InChI: InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12?,17?,18-,20-,21?,22?,23?,24-,26+,27-,28?,29?,30?,31?,33-,34+,35-,36+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](/C(=N\OC(=O)C3=CC=CC=C3)/[C@H](O2)Br)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C34H26BrNO9/c35-30-27(36-45-34(40)25-19-11-4-12-20-25)29(44-33(39)24-17-9-3-10-18-24)28(43-32(38)23-15-7-2-8-16-23)26(42-30)21-41-31(37)22-13-5-1-6-14-22/h1-20,26,28-30H,21H2/b36-27+/t26-,28-,29-,30+/m1/s1
SMILES: C/C(=C\COC1=CN=CC=C1)/[C@@H]2[C@H]([C@@H]([C@@H](O2)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)N[C@H]4[C@H]([C@@H]5CCC[C@@H]5[C@@H]([C@H]4O)O)O)O)O)O
InChI: InChI=1S/C32H40N2O10/c1-16(10-12-42-19-5-4-11-33-15-19)30-28(39)29(40)32(44-30)43-23-9-8-18(14-22(23)35)13-17(2)31(41)34-24-25(36)20-6-3-7-21(20)26(37)27(24)38/h4-5,8-11,13-15,20-21,24-30,32,35-40H,3,6-7,12H2,1-2H3,(H,34,41)/b16-10+,17-13+/t20-,21+,24+,25+,26+,27+,28+,29+,30-,32-/m1/s1
SMILES: C1CN(CC2=C3[C@@]14C=C[C@@H](C[C@@H]4OC3=C(C=C2)OCC5=CC=CC=C5)O)CC6=CC=CC=C6
InChI: InChI=1S/C29H29NO3/c31-24-13-14-29-15-16-30(18-21-7-3-1-4-8-21)19-23-11-12-25(28(27(23)29)33-26(29)17-24)32-20-22-9-5-2-6-10-22/h1-14,24,26,31H,15-20H2/t24-,26-,29-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC[C@H]3C(=O)N(C(=O)N3)C(C)C(=O)N4CCOCC4)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C21H28N4O8S/c1-9-14-13(11(3)26)19(29)25(14)15(20(30)31)16(9)34-8-12-18(28)24(21(32)22-12)10(2)17(27)23-4-6-33-7-5-23/h9-14,26H,4-8H2,1-3H3,(H,22,32)(H,30,31)/t9-,10?,11-,12+,13-,14-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)C(=O)N2[C@]([C@H]3CCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C17H18F3N3O4/c1-27-11-8-6-10(7-9-11)21-14(24)15(25)23-16(26,17(18,19)20)12-4-2-3-5-13(12)22-23/h6-9,12,26H,2-5H2,1H3,(H,21,24)/t12-,16-/m0/s1
SMILES: CCC[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C16H22O5/c1-2-6-11-13(17)14(18)15-12(20-11)9-19-16(21-15)10-7-4-3-5-8-10/h3-5,7-8,11-18H,2,6,9H2,1H3/t11-,12-,13+,14-,15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)N5CCCCC5
InChI: InChI=1S/C27H29N3O3/c1-18-9-11-19(12-10-18)28-25(31)23-17-20(13-14-24(23)29-15-5-2-6-16-29)30-26(32)21-7-3-4-8-22(21)27(30)33/h3-4,9-14,17,21-22H,2,5-8,15-16H2,1H3,(H,28,31)/t21-,22-/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]3[C@](O2)(CCON3CC4=CC=CC=C4)OC
InChI: InChI=1S/C17H23NO5/c1-12-20-11-14-15(22-12)16-17(19-2,23-14)8-9-21-18(16)10-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3/t12-,14-,15-,16-,17-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=CC=C5O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-10(28)7-14(16)40-24(25)11-4-2-3-5-12(11)29/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC[C@H]3CCC[NH+]4[C@H]3CCCC4
InChI: InChI=1S/C21H30N4O/c1-16-20(21(26)25(23(16)2)18-10-4-3-5-11-18)22-15-17-9-8-14-24-13-7-6-12-19(17)24/h3-5,10-11,17,19,22H,6-9,12-15H2,1-2H3/p+1/t17-,19+/m1/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC2=CC=C(C=C2)CC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C24H24Cl2O8/c1-13(27)31-21-12-30-24(23(33-15(3)29)22(21)32-14(2)28)34-19-8-4-16(5-9-19)10-17-6-7-18(25)11-20(17)26/h4-9,11,21-24H,10,12H2,1-3H3/t21-,22+,23-,24+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H](O1)C[S+]2C[C@H]([C@@H]([C@H]2CO)O)O)OS(=O)(=O)[O-])O
InChI: InChI=1S/C11H20O10S2/c1-19-11-9(15)10(21-23(16,17)18)6(20-11)4-22-3-5(13)8(14)7(22)2-12/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+,11+,22?/m1/s1
SMILES: [Li+].C[C-]=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CCC2=CCC[C@]3([C@@H]2[C@H]3C1=O)C
InChI: InChI=1S/C24H39O2Si.Li/c1-8-9-11-18(16-26-27(6,7)23(2,3)4)19-14-13-17-12-10-15-24(5)20(17)21(24)22(19)25;/h9,12,18-21H,10-11,13-16H2,1-7H3;/q-1;+1/t18-,19-,20+,21+,24+;/m1./s1
SMILES: COC(=O)[C@@H]1C[C@@]2([C@H](N1CC3=CC=C(C=C3)C4=CC=CC=C4)C[C@@H]([C@@H]([C@@H]2O)O)O)O
InChI: InChI=1S/C23H27NO6/c1-30-22(28)17-12-23(29)19(11-18(25)20(26)21(23)27)24(17)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-21,25-27,29H,11-13H2,1H3/t17-,18-,19+,20-,21-,23-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H28O13/c1-9(21)26-6-14-15(32-14)7-28-20-19(31-13(5)25)18(30-12(4)24)17(29-11(3)23)16(33-20)8-27-10(2)22/h14-20H,6-8H2,1-5H3/t14-,15+,16-,17-,18+,19-,20+/m1/s1
SMILES: COC1=CC=CC(=C1OC)[C@@H]2C3=CC(=C(C=C3[C@H]4CCCC[C@H]4O2)OC)OC
InChI: InChI=1S/C23H28O5/c1-24-19-11-7-9-15(23(19)27-4)22-17-13-21(26-3)20(25-2)12-16(17)14-8-5-6-10-18(14)28-22/h7,9,11-14,18,22H,5-6,8,10H2,1-4H3/t14-,18-,22-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)OCC
InChI: InChI=1S/C19H21NO4/c1-3-12-5-7-13(8-6-12)20-11-19-10-9-14(24-19)15(16(19)17(20)21)18(22)23-4-2/h5-10,14-16H,3-4,11H2,1-2H3/t14-,15-,16+,19-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C7=NC8=CC=CC=C8N7
InChI: InChI=1S/C34H29N3O7/c1-40-27-11-18(12-28(41-2)32(27)38)29-20-13-25-26(44-16-43-25)14-21(20)31(22-15-42-34(39)30(22)29)35-19-9-7-17(8-10-19)33-36-23-5-3-4-6-24(23)37-33/h3-14,22,29-31,35,38H,15-16H2,1-2H3,(H,36,37)/t22-,29+,30-,31+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2C[NH+](CC3)C)C(=O)NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C20H22ClN3O/c1-13-6-7-18-16(10-13)17-12-23(2)9-8-19(17)24(18)20(25)22-15-5-3-4-14(21)11-15/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,22,25)/p+1/t17-,19+/m0/s1
SMILES: CCCCC[C@H]1[C@@H](CC(=O)O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H21NO6/c1-2-3-4-5-15-13(10-16(19)24-15)11-23-17(20)12-6-8-14(9-7-12)18(21)22/h6-9,13,15H,2-5,10-11H2,1H3/t13-,15-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H](C5)[N+]6(CCCCC6)C)C
InChI: InChI=1S/C33H58N2O2/c1-24(36)37-31-20-25-12-13-27-28(33(25,3)23-30(31)35(5)18-10-7-11-19-35)14-15-32(2)22-26(21-29(27)32)34(4)16-8-6-9-17-34/h25-31H,6-23H2,1-5H3/q+2/t25-,26-,27+,28-,29-,30-,31-,32+,33-/m0/s1
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C30H46N4O14/c1-13(2)22(31-15(4)35)27(40)33-23(28(41)34-11-9-10-20(34)29(42)43)14(3)45-30-24(32-16(5)36)26(47-19(8)39)25(46-18(7)38)21(48-30)12-44-17(6)37/h13-14,20-26,30H,9-12H2,1-8H3,(H,31,35)(H,32,36)(H,33,40)(H,42,43)/t14-,20+,21-,22+,23+,24-,25+,26-,30+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC#N)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C43H58N4O10/c1-10-33-43(8)37(46-41(52)57-43)26(4)34(48)24(2)22-42(7,53-19-13-14-29-21-30-15-11-12-16-31(30)45-23-29)38(27(5)35(49)28(6)39(51)55-33)56-40-36(50)32(20-25(3)54-40)47(9)18-17-44/h11-16,21,23-28,32-33,36-38,40,50H,10,18-20,22H2,1-9H3,(H,46,52)/b14-13+/t24-,25-,26+,27+,28-,32+,33-,36-,37+,38-,40+,42-,43-/m1/s1
SMILES: COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
InChI: InChI=1S/C16H24O8/c1-21-10-4-3-9(7-11(10)22-2)5-6-23-16-15(20)14(19)13(18)12(8-17)24-16/h3-4,7,12-20H,5-6,8H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: C[C@@]12CC[C@]3(CC[C@H](C3C1CCC4[C@]2(CCC5[C@@]4(CC[C@@H](C5(C)C)OCOC(=O)C(C)(C)C)C)C)C(=C)COCOC(=O)C(C)(C)C)C(=O)OCOC(=O)C(C)(C)C
InChI: InChI=1S/C48H78O10/c1-30(26-53-27-55-37(49)41(2,3)4)31-18-23-48(40(52)58-29-57-39(51)43(8,9)10)25-24-46(14)32(36(31)48)16-17-34-45(13)21-20-35(54-28-56-38(50)42(5,6)7)44(11,12)33(45)19-22-47(34,46)15/h31-36H,1,16-29H2,2-15H3/t31-,32?,33?,34?,35-,36?,45-,46+,47+,48-/m0/s1
SMILES: C[C@@]12CCC[C@H]1[C@H]([C@@H]([C@H]3[C@@H]2O3)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H30O6SSi/c1-15(2,3)24(5,6)22-11-10-8-7-9-16(10,4)14-13(20-14)12(11)21-23(17,18)19/h10-14H,7-9H2,1-6H3,(H,17,18,19)/t10-,11+,12-,13-,14-,16+/m0/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2NC=NCC3O)O)O)CO[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O
InChI: InChI=1S/C18H28N4O9/c23-3-10-14(27)15(28)16(29)18(31-10)30-4-7-1-8(13(26)12(7)25)22-6-21-11-9(24)2-19-5-20-17(11)22/h5-10,12-16,18,23-29H,1-4H2,(H,19,20)/t7-,8-,9?,10+,12-,13+,14+,15-,16+,18+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1CC=C)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C24H29N3O4/c1-5-13-27-19(21(29)26-23(2,3)4)24-12-11-16(31-24)17(18(24)22(27)30)20(28)25-14-15-9-7-6-8-10-15/h5-12,16-19H,1,13-14H2,2-4H3,(H,25,28)(H,26,29)/t16-,17+,18+,19-,24+/m1/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=N4)C(=O)NC5=CC(=CC=C5)F
InChI: InChI=1S/C28H24FN3O2/c1-17-25(28(34)32-21-11-7-10-20(29)16-21)27(22-12-5-6-13-30-22)26-23(31-17)14-19(15-24(26)33)18-8-3-2-4-9-18/h2-13,16,19,26-27H,14-15H2,1H3,(H,32,34)/t19-,26-,27-/m1/s1
SMILES: C[C@@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@H]2C3=CN=CC=C3)COC(=O)C)C)C
InChI: InChI=1S/C19H25NO3/c1-12-8-13(2)19(10-22-15(4)21)11-23-18(17(12)14(19)3)16-6-5-7-20-9-16/h5-9,13-14,17-18H,10-11H2,1-4H3/t13-,14-,17-,18+,19+/m1/s1
SMILES: CC(C)(C)CC(C)(C)NC(=O)C1[C@@H]([C@H](CN1C(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H58N2O4Si2/c1-29(2,3)22-32(10,11)33-27(35)25-26(38-40(14,15)31(7,8)9)24(37-39(12,13)30(4,5)6)21-34(25)28(36)23-19-17-16-18-20-23/h16-20,24-26H,21-22H2,1-15H3,(H,33,35)/t24-,25?,26+/m0/s1
SMILES: CC1([C@@H]2[C@@H](CCO1)C[C@H]3C4=C(CCN3[C@@H]2C#N)C5=CC=CC=C5N4)C#N
InChI: InChI=1S/C21H22N4O/c1-21(12-23)19-13(7-9-26-21)10-17-20-15(6-8-25(17)18(19)11-22)14-4-2-3-5-16(14)24-20/h2-5,13,17-19,24H,6-10H2,1H3/t13-,17-,18+,19+,21?/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C(F)(F)F
InChI: InChI=1S/C19H22F3N3O4/c1-29-15-9-5-3-7-12(15)23-16(26)10-14-17(27)24-11-6-2-4-8-13(11)25(14)18(28)19(20,21)22/h3,5,7,9,11,13-14H,2,4,6,8,10H2,1H3,(H,23,26)(H,24,27)/t11-,13+,14-/m1/s1
SMILES: C1=CC(=C(C=C1CC(=O)OC[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)OC/C(=C/CO)/CO)OC(=O)CC3=CC(=C(C=C3)O)O)OC(=O)CC4=CC(=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C35H38O17/c36-8-7-21(15-37)16-49-35-34(52-31(46)14-20-3-6-24(40)27(43)11-20)33(51-30(45)13-19-2-5-23(39)26(42)10-19)32(47)28(50-35)17-48-29(44)12-18-1-4-22(38)25(41)9-18/h1-7,9-11,28,32-43,47H,8,12-17H2/b21-7+/t28-,32-,33-,34-,35-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)C[C@@H]2O)(C)C(=O)OC)C
InChI: InChI=1S/C21H34O3/c1-18-10-6-15-19(2)8-5-9-20(3,17(23)24-4)14(19)7-11-21(15,13-18)12-16(18)22/h14-16,22H,5-13H2,1-4H3/t14-,15-,16-,18-,19+,20+,21-/m0/s1
SMILES: CCOC(=O)[C@@H]\1[C@@H](OC(=O)/C1=C/C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H18O6/c1-2-24-21(23)18-15(10-13-6-4-3-5-7-13)20(22)27-19(18)14-8-9-16-17(11-14)26-12-25-16/h3-11,18-19H,2,12H2,1H3/b15-10+/t18-,19-/m0/s1
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl
InChI: InChI=1S/C13H21ClN2O5S/c1-21-13(18)9-2-4-16(5-3-9)6-12(17)15-11-8-22(19,20)7-10(11)14/h9-11H,2-8H2,1H3,(H,15,17)/p+1/t10-,11+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C2=CC=C(C=C2)OC)OC(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H31NO5Si/c1-13(26-27(7,8)20(3,4)5)17-18(23)21(19(17)25-14(2)22)15-9-11-16(24-6)12-10-15/h9-13,17,19H,1-8H3/t13-,17+,19-/m1/s1
SMILES: C1=NC(=C2C(=N1)N3[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)OC3=N2)N
InChI: InChI=1S/C10H11N5O4/c11-7-4-8(13-2-12-7)15-9-6(19-10(15)14-4)5(17)3(1-16)18-9/h2-3,5-6,9,16-17H,1H2,(H2,11,12,13)/t3-,5+,6-,9-/m1/s1
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CCN3CCOCC3)C4=NN=C(C=C4)Cl)O)C
InChI: InChI=1S/C22H26ClN5O3/c1-22(2)21(29)20(16-13-15(14-24)3-4-17(16)31-22)28(19-6-5-18(23)25-26-19)8-7-27-9-11-30-12-10-27/h3-6,13,20-21,29H,7-12H2,1-2H3/t20-,21+/m0/s1
SMILES: CC[C@]1(CC(=C2[C@]3([C@@H]1N(CC3)[C@@H](C)[C]4[CH][CH][CH][C]4P(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7N2)C(=O)OC)CCC(=O)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C41H44N2O4P.C5H5.Fe/c1-5-40(24-23-36(44)46-3)27-32(38(45)47-4)37-41(33-20-12-13-21-34(33)42-37)25-26-43(39(40)41)28(2)31-19-14-22-35(31)48(29-15-8-6-9-16-29)30-17-10-7-11-18-30;1-2-4-5-3-1;/h6-22,28,39,42H,5,23-27H2,1-4H3;1-5H;/q;;+2/t28-,39+,40+,41+;;/m0../s1
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C23H34N2O3S/c26-23(24-17-14-20-6-2-3-7-21(20)18-24)13-10-19-8-11-22(12-9-19)29(27,28)25-15-4-1-5-16-25/h8-9,11-12,20-21H,1-7,10,13-18H2/t20-,21+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](O[C@@H]1C2=CC(=C(C=C2)O)O)C3=CC(=C(C=C3)OC)O)C
InChI: InChI=1S/C19H22O5/c1-10-11(2)19(13-5-7-17(23-3)16(22)9-13)24-18(10)12-4-6-14(20)15(21)8-12/h4-11,18-22H,1-3H3/t10-,11-,18-,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)[C@@H]2[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC
InChI: InChI=1S/C24H34O6Si/c1-24(2,3)31(8,9)30-18-12-15(10-11-17(18)25-4)21-22(29-21)16-13-19(26-5)23(28-7)20(14-16)27-6/h10-14,21-22H,1-9H3/t21-,22-/m1/s1
SMILES: CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4
InChI: InChI=1S/C16H18N4O2S/c1-8(21)17-16-20-12-4-2-9(6-14(12)23-16)15(22)19-13-7-10-3-5-11(13)18-10/h2,4,6,10-11,13,18H,3,5,7H2,1H3,(H,19,22)(H,17,20,21)/t10-,11+,13-/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)C=C)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C20H21NO4/c1-5-16-19(17-12-15(24-3)10-11-18(17)25-4)21(20(16)22)13-6-8-14(23-2)9-7-13/h5-12,16,19H,1H2,2-4H3/t16-,19+/m1/s1
SMILES: CC[C@]12[C@@H]([C@H]3C[C@]([C@@H]1N(C3)C(=O)OCC4=CC=CC=C4)(C(=O)O2)C(=O)O)I
InChI: InChI=1S/C19H20INO6/c1-2-19-13(20)12-8-18(15(22)23,16(24)27-19)14(19)21(9-12)17(25)26-10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3,(H,22,23)/t12-,13+,14-,18+,19-/m0/s1
SMILES: CCCC[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC=C(C=C3)C
InChI: InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16-,17-,18+,19+/m0/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=C6[C@@]5(CCC(=O)C6)C)C)C)OC1
InChI: InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,20-24H,6-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)C)/C(=C/C2=COC(=N2)C)/C)C/C=C/C3=NC(=CO3)[C@H]4C[C@@H](C[C@H](O4)C[C@H]5CC(=C)C[C@@H](O5)CCO)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C50H66N2O8Si/c1-32-24-38(22-23-53)57-39(25-32)27-40-28-41(60-61(50(6,7)8,42-16-11-9-12-17-42)43-18-13-10-14-19-43)29-46(58-40)44-31-56-47(52-44)21-15-20-45-34(3)48(54)35(4)49(59-45)33(2)26-37-30-55-36(5)51-37/h9-19,21,26,30-31,34-35,38-41,45-46,48-49,53-54H,1,20,22-25,27-29H2,2-8H3/b21-15+,33-26+/t34-,35+,38-,39+,40+,41+,45+,46+,48-,49-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CC2=CC=C(C=C2)Br
InChI: InChI=1S/C18H23BrN2O4/c1-12-4-2-3-5-15(12)20-18(24)21-16(22)11-25-17(23)10-13-6-8-14(19)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)/t12-,15-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C49H47NO7S/c1-36-26-28-42(29-27-36)58(51,52)50-43-25-15-14-24-41(43)30-44(50)46-48(55-33-39-20-10-4-11-21-39)49(56-34-40-22-12-5-13-23-40)47(54-32-38-18-8-3-9-19-38)45(57-46)35-53-31-37-16-6-2-7-17-37/h2-30,45-49H,31-35H2,1H3/t45-,46-,47+,48+,49+/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=O)NC2=O)O)O)[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C26H27N3O8/c30-20-11-12-29(25(34)27-20)19-13-18(22(31)23(19)32)21(24(33)36-14-16-7-3-1-4-8-16)28-26(35)37-15-17-9-5-2-6-10-17/h1-12,18-19,21-23,31-32H,13-15H2,(H,28,35)(H,27,30,34)/t18-,19-,21+,22-,23+/m1/s1
SMILES: C1[C@@H]([C@@H](CS1(=O)=O)Cl)NS(=O)(=O)CC2=CC=CC=C2Cl
InChI: InChI=1S/C11H13Cl2NO4S2/c12-9-4-2-1-3-8(9)5-20(17,18)14-11-7-19(15,16)6-10(11)13/h1-4,10-11,14H,5-7H2/t10-,11+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCC2=CC=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H30O12/c1-13(25)31-12-20-21(33-15(3)27)22(34-16(4)28)23(35-17(5)29)24(36-20)30-11-10-18-6-8-19(9-7-18)32-14(2)26/h6-9,20-24H,10-12H2,1-5H3/t20-,21-,22+,23-,24-/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-27,30H,7,10-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)CC3C[C@H](C[C@H](O3)C)N(C)C)(C)OCC#CC4=CC=C(S4)C5=CC(=CC=C5)[N+](=O)[O-])C)C)NC(=O)O2)C
InChI: InChI=1S/C44H59N3O10S/c1-11-37-44(8)40(45-42(51)57-44)28(5)38(48)25(2)24-43(7,54-19-13-16-34-17-18-36(58-34)30-14-12-15-31(21-30)47(52)53)35(27(4)39(49)29(6)41(50)56-37)23-33-22-32(46(9)10)20-26(3)55-33/h12,14-15,17-18,21,25-29,32-33,35,37,40H,11,19-20,22-24H2,1-10H3,(H,45,51)/t25-,26-,27-,28+,29-,32+,33?,35-,37-,40?,43+,44-/m1/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@@H]([C@@]3(C=C4[C@@H](O3)[C@H]([C@@H](O4)N5C=NC(=C5N)/C(=N/O)/N)O)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI: InChI=1S/C39H35N5O9/c40-34(43-49)28-35(41)44(22-42-28)36-29(45)32-27(50-36)21-39(53-32,38(48)52-31(25-17-9-3-10-18-25)26-19-11-4-12-20-26)33(46)37(47)51-30(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22,29-33,36,45-46,49H,41H2,(H2,40,43)/t29-,32-,33+,36-,39+/m1/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC=CN6C
InChI: InChI=1S/C36H38N4O7S/c1-23-30(22-48-35-37-16-17-39(35)2)46-34(47-32(23)27-12-10-25(20-41)11-13-27)28-14-8-24(9-15-28)19-40-31(42)18-29(33(40)43)38-36(44)45-21-26-6-4-3-5-7-26/h3-17,23,29-30,32,34,41H,18-22H2,1-2H3,(H,38,44)/t23-,29?,30+,32+,34+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2
InChI: InChI=1S/C20H22N2O6/c1-12-6-2-4-8-14(12)21-20(26)22-18(24)11-27-19(25)17-10-15(23)13-7-3-5-9-16(13)28-17/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H2,21,22,24,26)/t12-,14+/m1/s1
SMILES: C1CC1C2(O[C@H]3[C@H]4C[C@]5([C@@H]([C@H]3O2)ON([C@H]5C(=O)O4)CC6=CC=C(C=C6)C=COCCO)C(=O)NCCO)C7CC7
InChI: InChI=1S/C29H36N2O9/c32-11-10-30-27(35)28-15-21-22-23(39-29(38-22,19-5-6-19)20-7-8-20)25(28)40-31(24(28)26(34)37-21)16-18-3-1-17(2-4-18)9-13-36-14-12-33/h1-4,9,13,19-25,32-33H,5-8,10-12,14-16H2,(H,30,35)/t21-,22+,23+,24+,25-,28+/m1/s1