EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12CCC3(CC1=CC[C@@H]4[C@@H]2CC[C@@]5([C@@H]4CCC56OCCO6)C)OCCO3
InChI: InChI=1S/C23H34O4/c1-20-9-10-22(24-11-12-25-22)15-16(20)3-4-17-18(20)5-7-21(2)19(17)6-8-23(21)26-13-14-27-23/h3,17-19H,4-15H2,1-2H3/t17-,18+,19-,20-,21-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)NC(=O)[C@H]3[C@@H](O3)C(=O)O
InChI: InChI=1S/C24H35N3O8/c1-14(2)12-16(25-22(28)20-21(35-20)24(30)31)23(29)27-10-8-26(9-11-27)13-15-6-7-17(32-3)19(34-5)18(15)33-4/h6-7,14,16,20-21H,8-13H2,1-5H3,(H,25,28)(H,30,31)/t16-,20+,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=C(C=C34)OC)O
InChI: InChI=1S/C21H26O3/c1-4-21(23)10-8-17-15-6-5-13-11-18(22)19(24-3)12-16(13)14(15)7-9-20(17,21)2/h1,11-12,14-15,17,22-23H,5-10H2,2-3H3/t14-,15+,17-,20-,21-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=S)NNC(=O)[C@@H]2C[C@@H]2C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H18ClN3O2S/c1-24-14-8-6-13(7-9-14)20-18(25)22-21-17(23)16-10-15(16)11-2-4-12(19)5-3-11/h2-9,15-16H,10H2,1H3,(H,21,23)(H2,20,22,25)/t15-,16-/m1/s1
SMILES: C1CCO[C@]2(C1)[C@H](CC(=O)O2)N3[C@H](COC3=O)C4=CC=CC=C4
InChI: InChI=1S/C17H19NO5/c19-15-10-14(17(23-15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17+/m1/s1
SMILES: CC(C)OC1=NC(=NC2=C1C(=NN2[C@H]3C[C@@H]([C@H](O3)CO)O)Br)N
InChI: InChI=1S/C13H18BrN5O4/c1-5(2)22-12-9-10(14)18-19(11(9)16-13(15)17-12)8-3-6(21)7(4-20)23-8/h5-8,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t6-,7+,8+/m0/s1
SMILES: CCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2
InChI: InChI=1S/C27H42O7/c1-5-6-7-8-9-10-11-15-18-30-27-26(31-19-23-16-13-12-14-17-23)25(34-22(4)29)24(20(2)32-27)33-21(3)28/h12-14,16-17,20,24-27H,5-11,15,18-19H2,1-4H3/t20-,24+,25+,26-,27-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@H]([C@H]1[C@](O1)(C)CO)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C24H52O4Si2/c1-16(2)29(17(3)4,18(5)6)26-14-22(23-24(13,15-25)27-23)28-30(19(7)8,20(9)10)21(11)12/h16-23,25H,14-15H2,1-13H3/t22-,23+,24+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC4CC4
InChI: InChI=1S/C19H25ClN2O3S/c20-17-8-5-14(11-18(17)26(24,25)21-16-6-7-16)19(23)22-10-9-13-3-1-2-4-15(13)12-22/h5,8,11,13,15-16,21H,1-4,6-7,9-10,12H2/t13-,15-/m0/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C19H26N2O5/c1-3-25-15-10-8-14(9-11-15)18(23)26-12-17(22)21-19(24)20-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H2,20,21,22,24)/t13-,16+/m0/s1
SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)S.CCN(CC)CC
InChI: InChI=1S/C24H30F2O5S.C6H15N/c1-5-19(29)31-24(20(30)32)12(2)8-14-15-10-17(25)16-9-13(27)6-7-21(16,3)23(15,26)18(28)11-22(14,24)4;1-4-7(5-2)6-3/h6-7,9,12,14-15,17-18,28H,5,8,10-11H2,1-4H3,(H,30,32);4-6H2,1-3H3/t12-,14+,15+,17+,18+,21+,22+,23+,24+;/m1./s1
SMILES: CC1=NC=C(C=C1)/C(=C\NC(=O)/C=C(\C)/C[C@H]2[C@@H]([C@@H]([C@H](CO2)C[C@H]3[C@@H](O3)[C@@H](C)[C@H](C)O)O)O)/OC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C27H35Cl3N2O8/c1-13(7-19-24(36)23(35)18(12-38-19)9-20-25(39-20)15(3)16(4)33)8-22(34)32-11-21(40-26(37)27(28,29)30)17-6-5-14(2)31-10-17/h5-6,8,10-11,15-16,18-20,23-25,33,35-36H,7,9,12H2,1-4H3,(H,32,34)/b13-8+,21-11+/t15-,16-,18-,19-,20-,23+,24-,25-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H32O4/c1-5-13-25(14-6-1)21-33-24-29-31(34-22-26-15-7-2-8-16-26)32(35-23-27-17-9-3-10-18-27)30(36-29)28-19-11-4-12-20-28/h1-20,29-32H,21-24H2/t29-,30+,31-,32-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)OC(F)F)OC)/C#N
InChI: InChI=1S/C20H24F2N2O4/c1-12-6-4-5-7-15(12)24-19(25)14(11-23)8-13-9-16(26-2)18(28-20(21)22)17(10-13)27-3/h8-10,12,15,20H,4-7H2,1-3H3,(H,24,25)/b14-8+/t12-,15-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C2=CC=C(C=C2)OC)[C@H]3COC(O3)(C)C)O
InChI: InChI=1S/C17H23NO5/c1-10(19)14-15(13-9-22-17(2,3)23-13)18(16(14)20)11-5-7-12(21-4)8-6-11/h5-8,10,13-15,19H,9H2,1-4H3/t10-,13-,14-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCC(=O)NC
InChI: InChI=1S/C15H22N4O5/c1-9-5-3-4-6-10(9)19-14(23)13(22)18(15(19)24)8-12(21)17-7-11(20)16-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,21)/t9-,10-/m0/s1
SMILES: CC(=O)C1=NN2[C@H]([C@@]1(CCCCN3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5)COC6=C2C=C(C=C6)F
InChI: InChI=1S/C31H33FN4O4/c1-22(37)29-31(23-8-3-2-4-9-23,28-21-40-26-12-11-24(32)20-25(26)36(28)33-29)13-5-6-14-34-15-17-35(18-16-34)30(38)27-10-7-19-39-27/h2-4,7-12,19-20,28H,5-6,13-18,21H2,1H3/t28-,31+/m0/s1
SMILES: C1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H14N2O5/c20-15-10-14(16(24-15)11-4-2-1-3-5-11)17(21)18-12-6-8-13(9-7-12)19(22)23/h1-9,14,16H,10H2,(H,18,21)/t14-,16+/m1/s1
SMILES: CCCC(=O)O[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C
InChI: InChI=1S/C25H38O3/c1-5-8-23(27)28-16(2)18-10-11-19-17-15-22(26)21-9-6-7-13-24(21,3)20(17)12-14-25(18,19)4/h6-7,16-21H,5,8-15H2,1-4H3/t16-,17+,18-,19+,20+,21-,24-,25-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3
InChI: InChI=1S/C23H28N2O4/c1-17-7-5-6-10-21(17)25-22(26)15-29-23(27)16-28-20-13-11-19(12-14-20)24-18-8-3-2-4-9-18/h2-4,8-9,11-14,17,21,24H,5-7,10,15-16H2,1H3,(H,25,26)/t17-,21-/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)N[C@@H](C)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO3/c1-8-6-13(8)16(21)22-10(3)15(20)19-9(2)12-5-4-11(17)7-14(12)18/h4-5,7-10,13H,6H2,1-3H3,(H,19,20)/t8-,9+,10+,13-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C42H31ClF6N2O7/c1-57-31-13-20(14-32(58-2)35(31)52)34-27-11-12-28-33(38(55)50(36(28)53)26-16-22(41(44,45)46)15-23(17-26)42(47,48)49)29(27)19-30-37(54)51(25-10-6-9-24(43)18-25)39(56)40(30,34)21-7-4-3-5-8-21/h3-11,13-18,28-30,33-34,52H,12,19H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CO5
InChI: InChI=1S/C22H17ClN2O5/c1-28-16-10-8-14(9-11-16)24-21(26)18-19(17-3-2-12-29-17)25(30-20(18)22(24)27)15-6-4-13(23)5-7-15/h2-12,18-20H,1H3/t18-,19+,20-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1NC(=O)NCCCNCCCCNCCCN)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)NCCCNCCCCNCCCN)O)O)NC(=O)NCCCNCCCCNCCCN)O)O)NC(=O)NCCCNCCCCNCCCN
InChI: InChI=1S/C56H122N20O10/c57-17-9-29-61-21-1-5-25-65-33-13-37-69-53(81)73-42-45-48(78)49(79)46(76-56(84)72-40-16-36-68-28-8-4-24-64-32-12-20-60)52(85-45)86-51-44(75-55(83)71-39-15-35-67-27-7-3-23-63-31-11-19-59)41-43(47(77)50(51)80)74-54(82)70-38-14-34-66-26-6-2-22-62-30-10-18-58/h43-52,61-68,77-80H,1-42,57-60H2,(H2,69,73,81)(H2,70,74,82)(H2,71,75,83)(H2,72,76,84)/t43-,44+,45-,46-,47+,48-,49-,50-,51-,52-/m1/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C41H39ClFN3O8/c1-54-34-21-23(7-19-33(34)47)6-18-31-28-16-17-29-36(39(52)45(37(29)50)20-4-2-3-5-35(48)49)30(28)22-32-38(51)46(44-27-14-12-26(43)13-15-27)40(53)41(31,32)24-8-10-25(42)11-9-24/h6-16,18-19,21,29-32,36,44,47H,2-5,17,20,22H2,1H3,(H,48,49)/t29-,30+,31-,32-,36-,41-/m0/s1
SMILES: C[C@@]12CC3(CC=C1N(C(=O)[C@]24N5CCC[C@H]5CO4)C(=O)NCCCC=C)OCCO3
InChI: InChI=1S/C22H31N3O5/c1-3-4-5-10-23-19(27)25-17-8-9-21(28-12-13-29-21)15-20(17,2)22(18(25)26)24-11-6-7-16(24)14-30-22/h3,8,16H,1,4-7,9-15H2,2H3,(H,23,27)/t16-,20+,22+/m0/s1
SMILES: CC1(O[C@H]2[C@H]3[C@H]([C@H]([C@@H]([C@H]2O1)OC)OS(=O)(=O)O)C4=CC5=C(C(=C4C(=O)N3COC)OCOC)OCO5)C
InChI: InChI=1S/C22H29NO13S/c1-22(2)34-18-14-12(17(36-37(25,26)27)19(30-5)20(18)35-22)10-6-11-15(33-9-31-11)16(32-8-29-4)13(10)21(24)23(14)7-28-3/h6,12,14,17-20H,7-9H2,1-5H3,(H,25,26,27)/t12-,14-,17-,18+,19+,20+/m1/s1
SMILES: CC1([C@@H]2[C@H](C3=C(O1)C(=C(C=C3)CN(C4=CC=CC(=C4)/C=C/C(=O)OC)C(=O)C5=CC=CC=C5)OC)OC(O2)(C)C)C
InChI: InChI=1S/C33H35NO7/c1-32(2)30-29(40-33(3,4)41-30)25-17-16-23(27(38-6)28(25)39-32)20-34(31(36)22-12-8-7-9-13-22)24-14-10-11-21(19-24)15-18-26(35)37-5/h7-19,29-30H,20H2,1-6H3/b18-15+/t29-,30-/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NCCC2=CC=C(C=C2)F)C(=O)O)C
InChI: InChI=1S/C18H22FNO3/c1-11-9-15(16(18(22)23)10-12(11)2)17(21)20-8-7-13-3-5-14(19)6-4-13/h3-6,15-16H,7-10H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H21N3O5/c1-12(23-18(25)15-7-2-3-8-16(15)19(23)26)20(27)28-11-17(24)22-14-6-4-5-13(9-14)10-21/h4-6,9,12,15-16H,2-3,7-8,11H2,1H3,(H,22,24)/t12-,15-,16-/m0/s1
SMILES: CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]([C@@H]1C)C
InChI: InChI=1S/C17H27NO5/c1-5-22-15(19)9-10-16(20)23-13(4)17(21)18-14-8-6-7-11(2)12(14)3/h9-14H,5-8H2,1-4H3,(H,18,21)/b10-9+/t11-,12-,13-,14+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H](C2=C1C=C3C(=C2)C=CC4=CC=CC=C43)O)O)O
InChI: InChI=1S/C18H16O3/c19-16-9-12-8-14-11(7-15(12)17(20)18(16)21)6-5-10-3-1-2-4-13(10)14/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1
SMILES: CC(=C)[C@@H]([C@@]1([C@@]2([C@@H](CC[Si](O2)(C)C)C(=O)N1CC3=CC=C(C=C3)OC)C)C(=O)OC)O[Si](C)(C)C
InChI: InChI=1S/C26H41NO6Si2/c1-18(2)22(32-34(6,7)8)26(24(29)31-5)25(3)21(15-16-35(9,10)33-25)23(28)27(26)17-19-11-13-20(30-4)14-12-19/h11-14,21-22H,1,15-17H2,2-10H3/t21-,22-,25-,26-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C17H20Cl2N2O4/c1-10-5-2-3-8-13(10)20-17(24)21-14(22)9-25-16(23)15-11(18)6-4-7-12(15)19/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H2,20,21,22,24)/t10-,13+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@H](O[C@@H]([C@H]1O)CO)OCCCC=C)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C21H29NO8/c1-3-4-8-11-27-20-17(19(29-14(2)24)18(25)16(12-23)30-20)22-21(26)28-13-15-9-6-5-7-10-15/h3,5-7,9-10,16-20,23,25H,1,4,8,11-13H2,2H3,(H,22,26)/t16-,17+,18-,19-,20-/m1/s1
SMILES: CCC1=C[C@@H]2C[C@@](C3C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C45H56N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,30,36-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t28-,30?,36?,37+,38-,39-,42-,43?,44+,45+;1-,2-/m11/s1
SMILES: C1C[C@H]([C@H]2C3=C(CCN2OC1)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C=NCC6=CC=CC=C6
InChI: InChI=1S/C29H29N3O3S/c33-36(34,24-13-5-2-6-14-24)32-27-16-8-7-15-25(27)26-17-18-31-28(29(26)32)23(12-9-19-35-31)21-30-20-22-10-3-1-4-11-22/h1-8,10-11,13-16,21,23,28H,9,12,17-20H2/t23-,28-/m0/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)[C@H]2[C@H](C3CCC2CC3)C(=O)O)OC
InChI: InChI=1S/C18H23NO5/c1-23-13-8-7-12(9-14(13)24-2)19-17(20)15-10-3-5-11(6-4-10)16(15)18(21)22/h7-11,15-16H,3-6H2,1-2H3,(H,19,20)(H,21,22)/t10?,11?,15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H](C)OC2=CC=CC(=C2)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C25H23NO4/c1-14-6-8-16(9-7-14)23(27)15(2)30-20-5-3-4-19(13-20)26-24(28)21-17-10-11-18(12-17)22(21)25(26)29/h3-11,13,15,17-18,21-22H,12H2,1-2H3/t15-,17-,18+,21+,22-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@]2([C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCCC4)C)C
InChI: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)21-14-18-27(5)24(21)13-12-22-23-11-6-7-16-26(23,4)17-15-25(22)27/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O
InChI: InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,31-/m0/s1
SMILES: CC(CCCCCC/C=C/CCCCCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O
InChI: InChI=1S/C34H58O15/c1-21(17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)38)46-34-32(30(42)28(40)25(48-34)20-45-23(3)36)49-33-31(43)29(41)27(39)24(47-33)19-44-22(2)35/h4-5,21,24-25,27-34,39-43H,6-20H2,1-3H3,(H,37,38)/b5-4+/t21?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1
SMILES: CC1=CC=CN2C1=NC(=CC2=O)COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H23N3O5/c1-12-6-5-9-23-17(25)10-14(22-18(12)23)11-29-21(28)13(2)24-19(26)15-7-3-4-8-16(15)20(24)27/h5-6,9-10,13,15-16H,3-4,7-8,11H2,1-2H3/t13-,15-,16-/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)CCCC(=O)O)CN4CCC(CC4)(C5=CC=C(C=C5)Cl)O
InChI: InChI=1S/C35H41ClN2O7/c1-23-30(21-38-19-17-35(43,18-20-38)27-11-13-28(36)14-12-27)44-34(45-33(23)25-7-5-24(22-39)6-8-25)26-9-15-29(16-10-26)37-31(40)3-2-4-32(41)42/h5-16,23,30,33-34,39,43H,2-4,17-22H2,1H3,(H,37,40)(H,41,42)/t23-,30+,33+,34+/m1/s1
SMILES: CO[C@@]12CCC[C@@H]1[C@H]([C@@H]3[C@@H]([C@H](ON3O2)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C22H24N2O5/c1-27-22-14-8-13-17(22)18(15-9-4-2-5-10-15)20-19(16-11-6-3-7-12-16)21(23(25)26)28-24(20)29-22/h2-7,9-12,17-21H,8,13-14H2,1H3/t17-,18-,19+,20-,21+,22-/m1/s1
SMILES: C[C@H]1CC=CC[C@@H](C(=O)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C3=CC=CC=C3)OC)CO)OC1=O)C
InChI: InChI=1S/C24H30O9/c1-14-9-7-8-10-15(2)22(27)32-19-18(31-21(14)26)17(13-25)30-24(29-3)20(19)33-23(28)16-11-5-4-6-12-16/h4-8,11-12,14-15,17-20,24-25H,9-10,13H2,1-3H3/t14-,15-,17+,18+,19-,20+,24-/m0/s1
SMILES: C[C@]12CC[C@]34[C@H]([C@H]1O2)C(CCC[C@]3(C4(Cl)Cl)C)(C)C
InChI: InChI=1S/C16H24Cl2O/c1-12(2)6-5-7-14(4)15(16(14,17)18)9-8-13(3)11(19-13)10(12)15/h10-11H,5-9H2,1-4H3/t10-,11-,13+,14-,15+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@]4(CO[C@@H](O[C@@H]4[C@H]([C@@H](O3)OCC[Si](C)(C)C)O)C5=CC=CO5)O
InChI: InChI=1S/C33H46O8Si2/c1-32(2,3)43(24-14-9-7-10-15-24,25-16-11-8-12-17-25)39-22-27-33(35)23-38-30(26-18-13-19-36-26)41-29(33)28(34)31(40-27)37-20-21-42(4,5)6/h7-19,27-31,34-35H,20-23H2,1-6H3/t27-,28-,29-,30+,31-,33+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)C[C@@H]4[C@@]3(CCC5C4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1
InChI: InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18?,19?,20+,21-,22+,23?,24?,25-,26+,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CC=C(C#N)C#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H22N2O9/c1-10(22)26-9-16-18(28-12(3)24)19(29-13(4)25)17(27-11(2)23)15(30-16)6-5-14(7-20)8-21/h5,15-19H,6,9H2,1-4H3/t15-,16-,17+,18+,19-/m1/s1
SMILES: C1C[C@@H]([C@H](C=C1)OC(=N)C(Cl)(Cl)Cl)OC(=N)C(Cl)(Cl)Cl
InChI: InChI=1S/C10H10Cl6N2O2/c11-9(12,13)7(17)19-5-3-1-2-4-6(5)20-8(18)10(14,15)16/h1,3,5-6,17-18H,2,4H2/t5-,6-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3
InChI: InChI=1S/C16H22N6O2S2/c1-10-5-2-3-6-11(10)18-15(24)19-13(23)9-26-16-21-20-14(22(16)17)12-7-4-8-25-12/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H2,18,19,23,24)/t10-,11-/m1/s1
SMILES: CC(C)(C)OC(=O)NCC(=O)NC1=NN2C=C[N+](=C2C=C1)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OCOC)/C5=NSC(=N5)N)SC3)C(=O)[O-]
InChI: InChI=1S/C27H31N11O9S2/c1-27(2,3)47-26(44)29-9-15(39)30-14-5-6-16-36(7-8-37(16)33-14)10-13-11-48-23-18(22(41)38(23)19(13)24(42)43)31-21(40)17(34-46-12-45-4)20-32-25(28)49-35-20/h5-8,18,23H,9-12H2,1-4H3,(H5-,28,29,30,31,32,33,35,39,40,42,43,44)/b34-17-/t18-,23-/m1/s1
SMILES: CC(C)(C)[C@H]1CC(=O)N([C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C20H39NO4Si/c1-18(2,3)14-12-16(22)21(17(23)25-19(4,5)6)15(14)13-24-26(10,11)20(7,8)9/h14-15H,12-13H2,1-11H3/t14-,15+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=CC(=C4)C5=CC=CC(=C5)CNC(=O)OCC=C)C6=CC=C(C=C6)CO
InChI: InChI=1S/C43H55N3O6/c1-5-22-50-42(49)44-26-30-10-8-12-33(23-30)34-13-9-14-35(24-34)41-51-36(25-39(52-41)32-18-16-29(28-47)17-19-32)27-46-37-15-7-6-11-31(37)20-21-38(46)40(48)45-43(2,3)4/h5,8-10,12-14,16-19,23-24,31,36-39,41,47H,1,6-7,11,15,20-22,25-28H2,2-4H3,(H,44,49)(H,45,48)/t31-,36-,37-,38-,39+,41+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCCCC4
InChI: InChI=1S/C20H31NO2/c1-14-7-6-8-20(2)12-18-15(11-17(14)20)16(19(22)23-18)13-21-9-4-3-5-10-21/h15-18H,1,3-13H2,2H3/t15-,16-,17-,18-,20-/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C2=CC=C(C=C2)CN3C(=NC4=C3N=CC=C4)C5CC5)C(=O)N[C@H](CO)C6=CC=CC=C6
InChI: InChI=1S/C31H34N4O2/c36-20-28(23-7-2-1-3-8-23)34-31(37)26-10-5-4-9-25(26)22-14-12-21(13-15-22)19-35-29(24-16-17-24)33-27-11-6-18-32-30(27)35/h1-3,6-8,11-15,18,24-26,28,36H,4-5,9-10,16-17,19-20H2,(H,34,37)/t25-,26+,28-/m1/s1
SMILES: C[C@H]1[C@@H](CN[C@@H]1C(=O)N2CCCC2)N3CCN(CC3)C4=C(C=NC=C4Cl)Cl
InChI: InChI=1S/C19H27Cl2N5O/c1-13-16(12-23-17(13)19(27)26-4-2-3-5-26)24-6-8-25(9-7-24)18-14(20)10-22-11-15(18)21/h10-11,13,16-17,23H,2-9,12H2,1H3/t13-,16+,17-/m0/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C44H56N2O10/c1-4-21-50-31-16-18-36-34(26-31)41-32(13-7-10-20-48)29(12-6-9-19-47)24-33-35(45-56-40-14-8-11-23-51-40)27-39(44(55-36,42(33)41)54-22-5-2)46(3)43(49)30-15-17-37-38(25-30)53-28-52-37/h4-5,15-18,24-26,29,32,39-42,47-48H,1-2,6-14,19-23,27-28H2,3H3/t29-,32+,39-,40?,41+,42+,44+/m0/s1
SMILES: C[C@]12CC[C@@](C[C@H]1C3=CC[C@@H]4[C@]5(CC/C(=N\OCC6=CC=CC=C6)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)O
InChI: InChI=1S/C37H53NO3/c1-32(2)28-15-18-37(7)29(35(28,5)17-16-30(32)38-41-24-25-11-9-8-10-12-25)14-13-26-27-23-34(4,31(39)40)20-19-33(27,3)21-22-36(26,37)6/h8-13,27-29H,14-24H2,1-7H3,(H,39,40)/b38-30+/t27-,28-,29+,33+,34+,35-,36+,37+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-12(21)13(11(8-20)25-15)26-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12-,13-,15-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C5=CC=CC=C45)O)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)O)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)O
InChI: InChI=1S/C38H28N2O9/c41-29-16-15-24(22-3-1-2-4-23(22)29)30-25-13-14-26-31(35(44)39(33(26)42)20-9-5-18(6-10-20)37(46)47)27(25)17-28-32(30)36(45)40(34(28)43)21-11-7-19(8-12-21)38(48)49/h1-13,15-16,26-28,30-32,41H,14,17H2,(H,46,47)(H,48,49)/t26-,27+,28+,30-,31-,32+/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C3=CSC(=N3)N
InChI: InChI=1S/C15H16N6O9S2/c1-6-11(14(25)21(6)32(27,28)29)18-13(24)12(8-5-31-15(16)17-8)19-30-4-7-2-9(22)10(23)3-20(7)26/h2-3,5-6,11,23,26H,4H2,1H3,(H2,16,17)(H,18,24)(H,27,28,29)/b19-12+/t6-,11-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=CC=C3Cl
InChI: InChI=1S/C21H27ClN2O4/c1-14-6-2-5-9-18(14)23-19(25)13-28-21(27)16-10-20(26)24(12-16)11-15-7-3-4-8-17(15)22/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3,(H,23,25)/t14-,16+,18+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(CC4=CC5=C(C=C24)OCO5)COC3=O
InChI: InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12?,18-,19+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCC3=CC=CC=C3)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H21N3O3/c1-13-17-18(22(24-13)15-9-5-6-10-16(15)23-21(22)28)20(27)25(19(17)26)12-11-14-7-3-2-4-8-14/h2-10,13,17-18,24H,11-12H2,1H3,(H,23,28)/p+1/t13-,17+,18-,22-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)C3=CC=CO3)C(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H37NO5SSi2/c1-15(29-32(8,9)23(2,3)4)17-20(25)24-18(22(26)28-13-14-31(5,6)7)19(30-21(17)24)16-11-10-12-27-16/h10-12,15,17,21H,13-14H2,1-9H3/t15-,17+,21-/m1/s1
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4CC[C@H]([C@@H](O4)C)O)N)O)CC=O)C)C)C
InChI: InChI=1S/C35H57NO12/c1-8-26-19(4)33-35(7,48-33)13-11-23(38)17(2)15-22(12-14-37)31(18(3)25(40)16-27(41)45-26)47-34-30(42)29(36)32(21(6)44-34)46-28-10-9-24(39)20(5)43-28/h11,13-14,17-22,24-26,28-34,39-40,42H,8-10,12,15-16,36H2,1-7H3/b13-11+/t17?,18?,19?,20-,21+,22?,24+,25?,26?,28-,29+,30+,31?,32+,33?,34?,35?/m0/s1
SMILES: CC1(OC[C@@]2(O1)[C@@H]3[C@H]([C@]([C@H]([C@H]2OCOC)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)(C=O)N=[N+]=[N-])OC(O3)(C)C)C
InChI: InChI=1S/C33H45N3O8Si/c1-29(2,3)45(23-15-11-9-12-16-23,24-17-13-10-14-18-24)41-19-25-26(39-22-38-8)33(21-40-30(4,5)44-33)28-27(42-31(6,7)43-28)32(25,20-37)35-36-34/h9-18,20,25-28H,19,21-22H2,1-8H3/t25-,26+,27+,28-,32+,33-/m0/s1
SMILES: C/C=C/1\C[C@@H]([C@](C(=O)OCC2=CC[NH+]3[C@@H]2[C@@H](CC3)OC1=O)(CO)O)C
InChI: InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/p+1/b12-3+/t11-,14+,15-,18-/m0/s1
SMILES: C[C@H]1CCC/C(=C/C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C)(C)C)O[Si](C)(C)C(C)(C)C)/C(=C/C2=CSC(=N2)C)/C)/C
InChI: InChI=1S/C39H69NO5SSi2/c1-26-19-18-20-27(2)35(45-48(16,17)38(9,10)11)29(4)36(42)39(12,13)33(44-47(14,15)37(6,7)8)24-34(41)43-32(22-21-26)28(3)23-31-25-46-30(5)40-31/h21,23,25,27,29,32-33,35H,18-20,22,24H2,1-17H3/b26-21+,28-23+/t27-,29+,32-,33-,35-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC2=C([C@@H]1O[Si](C)(C)C(C)(C)C)C(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C48H60O6Si2/c1-47(2,3)55(7,8)53-45-43-41(51-34-37-24-18-13-19-25-37)30-40(50-33-36-22-16-12-17-23-36)31-42(43)52-44(46(45)54-56(9,10)48(4,5)6)38-26-28-39(29-27-38)49-32-35-20-14-11-15-21-35/h11-31,44-46H,32-34H2,1-10H3/t44-,45+,46-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCSC6=CC=CC=C6)CCCCO)CCCCO)N(CCOCCO)C(=O)C7=CC=C(C=C7)C#N
InChI: InChI=1S/C54H62N4O11S/c1-2-28-67-54-50(57(24-29-65-30-27-61)53(62)40-18-14-38(36-55)15-19-40)35-48(56-68-37-39-16-20-42(21-17-39)58(63)64)46-33-41(10-6-8-25-59)45(13-7-9-26-60)51(52(46)54)47-34-43(22-23-49(47)69-54)66-31-32-70-44-11-4-3-5-12-44/h2-5,11-12,14-23,33-34,41,45,50-52,59-61H,1,6-10,13,24-32,35,37H2/t41-,45+,50-,51+,52+,54+/m0/s1
SMILES: C1=CC(=CC(=C1)C2=CC(=CC=C2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)O
InChI: InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-6-2-5-13(9-14)12-4-1-3-11(7-12)8-16(22)23/h1-7,9,15,17-21,24-26H,8,10H2,(H,22,23)/t15-,17-,18+,19+,20+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4F)ON2C5=CC=CC=C5
InChI: InChI=1S/C23H17FN2O3/c24-17-13-7-8-14-18(17)25-22(27)19-20(15-9-3-1-4-10-15)26(29-21(19)23(25)28)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20-,21-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=CC(=O)OCC(F)(F)F)OC(O3)(C5CC5)C6CC6
InChI: InChI=1S/C40H49F3N2O11/c1-38(2,3)55-33(48)16-14-28(21-46)44-35(49)29-8-5-17-45(29)36(50)25-19-30(34-31(20-25)54-40(56-34,26-10-11-26)27-12-13-27)53-37(51)24-7-4-6-23(18-24)9-15-32(47)52-22-39(41,42)43/h4,6-7,9,15,18,20,26-31,34,46H,5,8,10-14,16-17,19,21-22H2,1-3H3,(H,44,49)/t28-,29+,30+,31+,34-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC1[C@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O
InChI: InChI=1S/C27H52O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)36-18-21(28)19-37-27-26(32)25(31)24(30)22(38-27)20-39(33,34)35/h21-22,24-28,30-32H,2-20H2,1H3,(H,33,34,35)/t21?,22-,24-,25+,26+,27?/m1/s1
SMILES: CC(C)N(CCS(=O)(=O)NCC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCC(C4=CC=CC=C4)C5=CC=CC=C5)C6CCCC6
InChI: InChI=1S/C35H47N7O6S/c1-23(2)41(26-15-9-10-16-26)17-18-49(46,47)38-20-29-39-33(36-19-27(24-11-5-3-6-12-24)25-13-7-4-8-14-25)30-34(40-29)42(22-37-30)35-32(45)31(44)28(21-43)48-35/h3-8,11-14,22-23,26-28,31-32,35,38,43-45H,9-10,15-21H2,1-2H3,(H,36,39,40)/t28-,31-,32-,35-/m1/s1
SMILES: C1[C@@H]([C@@H](C(=O)N1)C(=O)N/N=C\C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI: InChI=1S/C22H19N3O2/c26-21-20(19(14-23-21)17-7-2-1-3-8-17)22(27)25-24-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-13,19-20H,14H2,(H,23,26)(H,25,27)/b24-13-/t19-,20+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](C3)(OO4)C)OC5C6CC7CC(C6)CC5C7)C
InChI: InChI=1S/C26H40O4/c1-14-4-5-21-15(2)24(28-23-18-9-16-8-17(11-18)12-19(23)10-16)27-22-13-25(3)7-6-20(14)26(21,22)30-29-25/h14-24H,4-13H2,1-3H3/t14-,15-,16?,17?,18?,19?,20+,21+,22-,23?,24-,25+,26-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CCC3C2=CC[C@]4(C3CC[C@@]4(C(=O)CO)O)C
InChI: InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,22,25H,3-5,7-10,12H2,1-2H3/t15?,17?,19-,20-,21-/m0/s1