EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)NCCC5=CC=CC=N5)C6=C(C=CC(=C6)C#CCN7C8=CC=CC=C8N=N7)NC4=O)C9=CC=CC=C9OCCO)C1=CC=CC=C1
InChI: InChI=1S/C51H43N7O6/c59-30-31-63-42-23-10-7-20-37(42)47-51(38-32-33(24-25-39(38)54-50(51)62)14-13-29-57-41-22-9-8-21-40(41)55-56-57)43(48(60)53-28-26-36-19-11-12-27-52-36)45-49(61)64-46(35-17-5-2-6-18-35)44(58(45)47)34-15-3-1-4-16-34/h1-12,15-25,27,32,43-47,59H,26,28-31H2,(H,53,60)(H,54,62)/t43-,44-,45-,46+,47+,51-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)OC(=O)C
InChI: InChI=1S/C24H32O5/c1-15(25)24(29-16(2)26)11-8-21-20-5-4-17-14-23(27-12-13-28-23)10-7-18(17)19(20)6-9-22(21,24)3/h6,20-21H,4-5,7-14H2,1-3H3/t20-,21+,22+,24+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CC(=O)NC4=O)C)C
InChI: InChI=1S/C21H31NO4/c1-12(23)26-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(24)22-19(21)25/h13-17H,4-11H2,1-3H3,(H,22,24,25)/t13-,14-,15+,16+,17+,20-,21-/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=C(C=C5)C=C6CCC7[C@](O7)(CC[C@@H]8[C@@H]6CC8(C)C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C55H83N3O12/c1-10-12-14-25-54(26-15-13-11-2)68-44-40-30-55(50(64)57-43(33(3)60)48(62)56-37(32-59)21-23-42(61)67-51(4,5)6)46(49(63)65-40)58(70-47(55)45(44)69-54)31-35-18-16-34(17-19-35)28-36-20-22-41-53(9,66-41)27-24-39-38(36)29-52(39,7)8/h16-19,28,33,37-41,43-47,59-60H,10-15,20-27,29-32H2,1-9H3,(H,56,62)(H,57,64)/t33-,37-,38+,39+,40+,41?,43+,44-,45-,46-,47+,53+,55-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COC(=O)C3=CC=CC=C3)O)O
InChI: InChI=1S/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(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+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2NC)O)CCC4=C3C=CC(=C4)O.Cl
InChI: InChI=1S/C19H27NO2.ClH/c1-19-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20-2;/h4,6,9,14-18,20-22H,3,5,7-8,10H2,1-2H3;1H/t14-,15-,16+,17-,18+,19+;/m1./s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@@]([C@H]3CC2)(C)C(=O)OC)C
InChI: InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C31H20BrF6NO6/c1-45-23-6-12(2-5-21(23)40)24-16-3-4-17-25(18(16)10-19-26(24)22(41)11-20(32)27(19)42)29(44)39(28(17)43)15-8-13(30(33,34)35)7-14(9-15)31(36,37)38/h2-3,5-9,11,17-18,24-25,40H,4,10H2,1H3/t17-,18+,24-,25-/m0/s1
SMILES: C[C@@H](C(=O)OCC1=CC(=O)N2C=CSC2=N1)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C18H19N3O5S/c1-10(21-15(23)12-4-2-3-5-13(12)16(21)24)17(25)26-9-11-8-14(22)20-6-7-27-18(20)19-11/h6-8,10,12-13H,2-5,9H2,1H3/t10-,12-,13+/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C([C@H]2[NH+]1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H22ClN3O/c1-24(2,3)23(30)21-20(17-8-10-18(26)11-9-17)25(14-27,15-28)22-19-7-5-4-6-16(19)12-13-29(21)22/h4-13,20-22H,1-3H3/p+1/t20-,21+,22+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)CC5=CC=CC=C5
InChI: InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20+,21+,22+,25-,26+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H23ClF8N2O5/c1-33-22(30(49)46(32(33)51)16-5-8-24(37)23(36)12-16)13-21-18(27(33)20-3-2-4-25(38)28(20)47)6-7-19-26(21)31(50)45(29(19)48)17-10-14(34(39,40)41)9-15(11-17)35(42,43)44/h2-6,8-12,19,21-22,26-27,47H,7,13H2,1H3/t19-,21+,22-,26-,27+,33+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OCCC#N)O[C@H]3CC[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CC=C4C3)CC[C@@H]6[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C40H60N3O7P/c1-26(2)9-7-10-27(3)33-14-15-34-32-13-11-29-23-30(17-19-39(29,5)35(32)18-20-40(33,34)6)50-51(46,47-22-8-21-41)48-25-31-12-16-36(49-31)43-24-28(4)37(44)42-38(43)45/h11-12,16,24,26-27,30-36H,7-10,13-15,17-20,22-23,25H2,1-6H3,(H,42,44,45)/t27-,30+,31+,32+,33-,34+,35+,36-,39+,40-,51?/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@H](CC[C@@H]1N2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H31NOSi/c1-11-7-8-13-14(10-9-12(11)16-13)17-18(5,6)15(2,3)4/h11-14,16H,7-10H2,1-6H3/t11-,12-,13-,14-/m0/s1
SMILES: C[C@H]1C(=O)CC(=O)C2[C@@]1(CCC3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)C)C
InChI: InChI=1S/C30H48O3/c1-19-20(32)16-21(33)24-26(19,4)9-8-22-27(24,5)11-12-29(7)23-17-25(2,3)10-14-30(23,18-31)15-13-28(22,29)6/h19,22-24,31H,8-18H2,1-7H3/t19-,22?,23-,24?,26+,27+,28+,29-,30+/m0/s1
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H]3[C@H](C3(C#N)C#N)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H12N2O3/c20-9-19(10-21)16(13-6-7-14-15(8-13)24-11-23-14)17(19)18(22)12-4-2-1-3-5-12/h1-8,16-17H,11H2/t16-,17-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NCCS(=O)(=O)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C17H26N4O7S2/c1-7-12-11(8(2)22)16(24)21(12)13(17(25)26)14(7)29-9-5-10(20-6-9)15(23)19-3-4-30(18,27)28/h7-12,20,22H,3-6H2,1-2H3,(H,19,23)(H,25,26)(H2,18,27,28)/t7-,8-,9+,10+,11-,12-/m1/s1
SMILES: COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@@H]([C@H](O3)CN4C[C@H]([C@@H]([C@@H]4[C@H](CO)O)O)F)O)O)O)O)O)O
InChI: InChI=1S/C31H54FNO17/c1-44-20(36)8-6-4-2-3-5-7-9-45-29-27(42)24(39)18(49-29)13-47-31-28(43)25(40)19(50-31)14-46-30-26(41)23(38)17(48-30)11-33-10-15(32)22(37)21(33)16(35)12-34/h15-19,21-31,34-35,37-43H,2-14H2,1H3/t15-,16+,17-,18-,19-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30+,31+/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@@H]3C[C@H]4[C@H]2CC[C@H]5[C@@]4(CC[C@H](C5)OC(=O)COC6=CC7=C(C=C6)C=CC(=C7C8=C(C=CC9=C8C=C(C=C9)OCC(=O)O3)O)O)C)C
InChI: InChI=1S/C49H56O10/c1-27(5-18-43(52)55-4)37-14-15-38-34-13-10-30-21-33-19-20-48(30,2)39(34)24-42(49(37,38)3)59-45(54)26-57-32-12-7-29-9-17-41(51)47(36(29)23-32)46-35-22-31(56-25-44(53)58-33)11-6-28(35)8-16-40(46)50/h6-9,11-12,16-17,22-23,27,30,33-34,37-39,42,50-51H,5,10,13-15,18-21,24-26H2,1-4H3/t27-,30-,33-,34+,37-,38+,39+,42+,48+,49-/m1/s1
SMILES: CCOP(=O)(OCC)OCC#CCC[C@@H]1[C@H](C(=O)N1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H38NO6PSi/c1-9-24-28(23,25-10-2)26-15-13-11-12-14-17-18(19(22)21-17)16(3)27-29(7,8)20(4,5)6/h16-18H,9-10,12,14-15H2,1-8H3,(H,21,22)/t16-,17-,18-/m1/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)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C49H58FN3O10/c1-3-27-61-49-44(52(2)45(56)24-19-33-17-20-36(21-18-33)53(57)58)31-42(51-63-46-16-8-11-28-59-46)39-29-34(12-6-9-25-54)38(14-7-10-26-55)47(48(39)49)40-30-37(22-23-43(40)62-49)60-32-35-13-4-5-15-41(35)50/h3-5,13,15,17-24,29-30,34,38,44,46-48,54-55H,1,6-12,14,16,25-28,31-32H2,2H3/t34-,38+,44-,46?,47+,48+,49+/m0/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCC3=CC(=CC=C3)C(=O)NCCO)OC(O2)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C30H30N2O6/c33-15-14-31-28(35)21-9-7-8-20(16-21)19-32-29(36)22-17-25(34)27-26(18-22)37-30(38-27,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-13,16,18,25-27,33-34H,14-15,17,19H2,(H,31,35)(H,32,36)/t25-,26-,27+/m1/s1
SMILES: CC(=C)[C@@H]1C[C@H]2C3=C(CC[C@]2(C(=O)C1)C)C4=C(CC3)C=C(C=C4)OC
InChI: InChI=1S/C23H28O2/c1-14(2)16-12-21-20-7-5-15-11-17(25-4)6-8-18(15)19(20)9-10-23(21,3)22(24)13-16/h6,8,11,16,21H,1,5,7,9-10,12-13H2,2-4H3/t16-,21+,23-/m1/s1
SMILES: CN(C)C[C@H]1CCCC[C@H]1OC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H23ClN2O4/c1-19(2)11-13-5-3-4-6-16(13)24-17(21)10-12-7-8-14(18)15(9-12)20(22)23/h7-9,13,16H,3-6,10-11H2,1-2H3/t13-,16-/m1/s1
SMILES: C1=CC(=C(C=C1CC(=O)OC[C@H]2[C@@H](C2(Cl)Cl)COC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI: InChI=1S/C21H16Cl4N2O8/c22-15-3-1-11(5-17(15)26(30)31)7-19(28)34-9-13-14(21(13,24)25)10-35-20(29)8-12-2-4-16(23)18(6-12)27(32)33/h1-6,13-14H,7-10H2/t13-,14-/m0/s1
SMILES: CCOC(C1=CN=NN1[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCC=C)OCC=C)CCCCO)CCCCO)OCC
InChI: InChI=1S/C44H58N4O8/c1-5-24-53-33-20-21-39-36(27-33)41-34(19-13-15-23-50)32(18-12-14-22-49)26-35-37(46-55-30-31-16-10-9-11-17-31)28-40(44(56-39,42(35)41)54-25-6-2)48-38(29-45-47-48)43(51-7-3)52-8-4/h5-6,9-11,16-17,20-21,26-27,29,32,34,40-43,49-50H,1-2,7-8,12-15,18-19,22-25,28,30H2,3-4H3/t32-,34+,40-,41+,42+,44+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)CCNC(=O)CC2=CC=C(C=C2)NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3
InChI: InChI=1S/C23H27N3O5S2/c1-30-18-7-8-20(31-2)16(12-18)9-10-24-22(27)11-15-3-5-17(6-4-15)25-23-26-19-13-33(28,29)14-21(19)32-23/h3-8,12,19,21H,9-11,13-14H2,1-2H3,(H,24,27)(H,25,26)/t19-,21+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3CCC4=CC=CC=C4C3=NN2C(=O)CN5CCOCC5
InChI: InChI=1S/C24H27N3O3/c1-29-19-9-6-18(7-10-19)24-21-11-8-17-4-2-3-5-20(17)23(21)25-27(24)22(28)16-26-12-14-30-15-13-26/h2-7,9-10,21,24H,8,11-16H2,1H3/t21-,24-/m1/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC=C
InChI: InChI=1S/C40H36N2O9/c1-3-22-49-36(44)31-33-37(45)51-34(26-14-8-5-9-15-26)32(25-12-6-4-7-13-25)42(33)35(27-18-20-28(43)21-19-27)40(31)29-16-10-11-17-30(29)41(38(40)46)39(47)50-24-23-48-2/h3-21,31-35,43H,1,22-24H2,2H3/t31-,32-,33-,34+,35+,40-/m0/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)NCC=C
InChI: InChI=1S/C22H32N4O4/c1-4-11-23-21(30)24-16(13(2)3)19(28)25-12-8-15-17(25)22(9-5-10-22)20(29)26(15)18(27)14-6-7-14/h4,13-17H,1,5-12H2,2-3H3,(H2,23,24,30)/t15-,16-,17-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OCC(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H18ClNO4/c24-16-5-3-13(4-6-16)19(26)12-29-18-9-7-17(8-10-18)25-22(27)20-14-1-2-15(11-14)21(20)23(25)28/h1-10,14-15,20-21H,11-12H2/t14-,15+,20-,21+
SMILES: C[C@H]1CC(=C[C@@H]([C@@H]1[C@@H]2OC[C@@H](O2)C[NH+]3CCCCC3)C)C
InChI: InChI=1S/C18H31NO2/c1-13-9-14(2)17(15(3)10-13)18-20-12-16(21-18)11-19-7-5-4-6-8-19/h9,14-18H,4-8,10-12H2,1-3H3/p+1/t14-,15-,16-,17-,18+/m0/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)N
InChI: InChI=1S/C17H19N3O2/c18-11-3-1-10(2-4-11)15-7-8-16(22-15)17(21)20-14-9-12-5-6-13(14)19-12/h1-4,7-8,12-14,19H,5-6,9,18H2,(H,20,21)/t12-,13+,14-/m1/s1
SMILES: CO[C@@H]1C[C@H]2[C@@H]3[C@H](CC=C2C[C@H]4CCCC[C@H]4C1=O)C(=O)OC3=O
InChI: InChI=1S/C19H24O5/c1-23-15-9-14-11(6-7-13-16(14)19(22)24-18(13)21)8-10-4-2-3-5-12(10)17(15)20/h6,10,12-16H,2-5,7-9H2,1H3/t10-,12-,13+,14-,15-,16+/m1/s1
SMILES: C[C@H]1/C=C\C/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/C39H67NO5SSi2/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/h18,20-21,23,25,27,29,32-33,35H,19,22,24H2,1-17H3/b20-18-,26-21-,28-23+/t27-,29+,32-,33-,35-/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)/p-1/t15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](C[C@@H](O2)N3C4=C(C(=N3)C#N)C(=NC(=N4)SC)SC)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C29H27N5O5S2/c1-16-5-9-18(10-6-16)27(35)37-15-22-21(39-28(36)19-11-7-17(2)8-12-19)13-23(38-22)34-25-24(20(14-30)33-34)26(40-3)32-29(31-25)41-4/h5-12,21-23H,13,15H2,1-4H3/t21-,22+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=NC3=O)N)C4=CC=CO4)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C29H27N3O7/c1-17-5-9-19(10-6-17)27(33)37-16-24-23(39-28(34)20-11-7-18(2)8-12-20)14-25(38-24)32-15-21(22-4-3-13-36-22)26(30)31-29(32)35/h3-13,15,23-25H,14,16H2,1-2H3,(H2,30,31,35)/t23-,24+,25+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C21H29N3O5/c1-15-6-2-3-7-17(15)22-20(25)14-29-21(26)16-10-12-23(13-11-16)18-8-4-5-9-19(18)24(27)28/h4-5,8-9,15-17H,2-3,6-7,10-14H2,1H3,(H,22,25)/t15-,17-/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C(=CC[C@@]3([C@]2(C(=O)C(=C(C3=O)Cl)Cl)Cl)Cl)C=C)Br
InChI: InChI=1S/C19H13BrCl4O4/c1-3-8-4-5-18(23)16(26)13(21)14(22)17(27)19(18,24)12(8)10-6-9(20)7-11(28-2)15(10)25/h3-4,6-7,12,25H,1,5H2,2H3/t12-,18-,19+/m1/s1
SMILES: CC1=CC(=O)[C@]23[C@H](O2)[C@@H]4[C@](C[C@H]([C@@]1(C3(C)C)O)OCOC)([C@H](CC[C@@]45CO5)OC(C)(C)C)C
InChI: InChI=1S/C26H40O7/c1-15-11-16(27)26-20(33-26)19-23(7,12-18(30-14-29-8)25(15,28)22(26,5)6)17(32-21(2,3)4)9-10-24(19)13-31-24/h11,17-20,28H,9-10,12-14H2,1-8H3/t17-,18+,19+,20+,23+,24+,25-,26+/m0/s1
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C20H24N2O4/c1-26-16-4-2-3-15(12-16)21-7-9-22(10-8-21)19(23)17-13-5-6-14(11-13)18(17)20(24)25/h2-6,12-14,17-18H,7-11H2,1H3,(H,24,25)/t13-,14+,17-,18+/m1/s1
SMILES: CC1([C@H]2COC3=CC=CC=C3[C@H]2N(O1)C(=O)C=C4CCC(CC4)C(C)(C)C)C
InChI: InChI=1S/C24H33NO3/c1-23(2,3)17-12-10-16(11-13-17)14-21(26)25-22-18-8-6-7-9-20(18)27-15-19(22)24(4,5)28-25/h6-9,14,17,19,22H,10-13,15H2,1-5H3/t17?,19-,22+/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]([C@H](ON1C(=O)OCC2=CC=CC=C2)[C@H]3N([C@H]([C@H](O3)C4=CC=CC=C4)C)C)O)O
InChI: InChI=1S/C24H30N2O6/c1-15-19(27)20(28)22(32-26(15)24(29)30-14-17-10-6-4-7-11-17)23-25(3)16(2)21(31-23)18-12-8-5-9-13-18/h4-13,15-16,19-23,27-28H,14H2,1-3H3/t15-,16-,19-,20-,21-,22-,23-/m0/s1
SMILES: CN1C(=O)C2=C(N(N=C2N3C1=N[C@H]4[C@@H]3CCC4)CC5=CC=C(C=C5)C6=CC=CC=C6)NC7=CC=CC=C7
InChI: InChI=1S/C30H28N6O/c1-34-29(37)26-27(31-23-11-6-3-7-12-23)35(33-28(26)36-25-14-8-13-24(25)32-30(34)36)19-20-15-17-22(18-16-20)21-9-4-2-5-10-21/h2-7,9-12,15-18,24-25,31H,8,13-14,19H2,1H3/t24-,25+/m1/s1
SMILES: C1CCN2CC[C@@H]3C(=C[C@](CC/C=C\C1)([C@@H]4[C@@]3(C2)CC/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O
InChI: InChI=1S/C36H44N4O2/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2/b4-1-,12-7-/t25?,29-,34+,35-,36-/m1/s1
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC5=C(C[C@]34C)C=CO5)C)C#C
InChI: InChI=1S/C25H30O3/c1-5-25(28-16(2)26)12-9-21-19-7-6-18-14-22-17(10-13-27-22)15-23(18,3)20(19)8-11-24(21,25)4/h1,10,13-14,19-21H,6-9,11-12,15H2,2-4H3/t19-,20+,21+,23+,24+,25+/m1/s1
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S)OC(=O)C4=CC=CC5=CC=CC=C54)OC(=O)C6=CC=CC7=CC=CC=C76)OC(=O)C8=CC=CC9=CC=CC=C98
InChI: InChI=1S/C50H36O9S/c51-46(38-25-9-17-30-13-1-5-21-34(30)38)55-29-42-43(57-47(52)39-26-10-18-31-14-2-6-22-35(31)39)44(58-48(53)40-27-11-19-32-15-3-7-23-36(32)40)45(50(60)56-42)59-49(54)41-28-12-20-33-16-4-8-24-37(33)41/h1-28,42-45,50,60H,29H2/t42-,43-,44+,45-,50+/m1/s1
SMILES: C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)O[C@H]3[C@@H]4[C@@H](O4)[C@H](O3)CO
InChI: InChI=1S/C19H15NO5/c20-9-11-1-3-12(4-2-11)16(22)13-5-7-14(8-6-13)23-19-18-17(25-18)15(10-21)24-19/h1-8,15,17-19,21H,10H2/t15-,17+,18+,19-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H]([C@H]([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)C)O)(C)O)C)N)C)OC(=O)O2)C
InChI: InChI=1S/C30H52N2O10/c1-11-20-30(8)25(41-28(36)42-30)16(4)21(31)14(2)13-29(7,37)24(17(5)22(33)18(6)26(35)39-20)40-27-23(34)19(32(9)10)12-15(3)38-27/h14-21,23-25,27,34,37H,11-13,31H2,1-10H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,27+,29+,30-/m1/s1
SMILES: C[C@]12C[C@H]3[C@@H](CCC3=C)C(=O)CC[C@@H]1CCC24OCCO4
InChI: InChI=1S/C18H26O3/c1-12-3-5-14-15(12)11-17(2)13(4-6-16(14)19)7-8-18(17)20-9-10-21-18/h13-15H,1,3-11H2,2H3/t13-,14-,15-,17+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@@H](N(C1=N[C@@H](CC2=CC=CC=C2)CO)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)33-27(24-18-12-7-13-19-24)26(23-16-10-6-11-17-23)32(4)28(33)31-25(21-34)20-22-14-8-5-9-15-22/h5-19,25-27,34H,20-21H2,1-4H3/t25-,26-,27-/m0/s1
SMILES: CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OCC5=C(C(=CC(=C5)C(=O)O)O)O)/C6=CSC(=N6)N)SC3)C(=O)O)C(=O)O
InChI: InChI=1S/C28H23N9O11S3/c1-9-2-15(37-28(30-9)33-20(34-37)26(46)47)49-6-12-7-50-23-17(22(41)36(23)18(12)25(44)45)32-21(40)16(13-8-51-27(29)31-13)35-48-5-11-3-10(24(42)43)4-14(38)19(11)39/h2-4,8,17,23,38-39H,5-7H2,1H3,(H2,29,31)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-16-/t17-,23-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2CO2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O11/c1-8(18)22-7-13-14(25-9(2)19)15(26-10(3)20)16(27-11(4)21)17(28-13)24-6-12-5-23-12/h12-17H,5-7H2,1-4H3/t12?,13-,14-,15+,16-,17-/m1/s1
SMILES: C1[C@@H]([C@H](CN(S(=O)(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3NC(=O)CC4=CC=CC=C4)O)O
InChI: InChI=1S/C26H29N3O5S/c30-24-18-28(16-21-11-5-2-6-12-21)35(33,34)29(19-25(24)31)17-22-13-7-8-14-23(22)27-26(32)15-20-9-3-1-4-10-20/h1-14,24-25,30-31H,15-19H2,(H,27,32)/t24-,25-/m0/s1
SMILES: C[C@@H](CO[C@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCC(=O)O)COCC(C)C)OC)OC)O
InChI: InChI=1S/C18H34O9/c1-11(2)8-24-10-13-15(22-4)16(23-5)17(26-9-12(3)19)18(27-13)25-7-6-14(20)21/h11-13,15-19H,6-10H2,1-5H3,(H,20,21)/t12-,13+,15+,16-,17-,18+/m0/s1
SMILES: C[C@]12C[C@H]([C@@H](C(=O)N1)S(=O)(=O)C3=CC=CC=C3)C4=C(O2)C=C(C=C4)OC
InChI: InChI=1S/C19H19NO5S/c1-19-11-15(14-9-8-12(24-2)10-16(14)25-19)17(18(21)20-19)26(22,23)13-6-4-3-5-7-13/h3-10,15,17H,11H2,1-2H3,(H,20,21)/t15-,17-,19-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@]2([C@H]([C@@H]([C@H]([C@@H]2OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C35H35F3O8S/c36-35(37,38)47(40,41)46-33-31(44-23-28-17-9-3-10-18-28)30(43-22-27-15-7-2-8-16-27)32(45-24-29-19-11-4-12-20-29)34(33,39)25-42-21-26-13-5-1-6-14-26/h1-20,30-33,39H,21-25H2/t30-,31-,32+,33+,34-/m1/s1
SMILES: CC(=O)O[C@@H]1C(=C)[C@@H]2C[C@@H]([C@@H]3[C@@]14[C@@H]2OC5[C@]36CCCC([C@H]6[C@@H]([C@@]4(O5)O)O)(C)C)O
InChI: InChI=1S/C22H30O7/c1-9-11-8-12(24)13-20-7-5-6-19(3,4)14(20)15(25)22(26)21(13,16(9)27-10(2)23)17(11)28-18(20)29-22/h11-18,24-26H,1,5-8H2,2-4H3/t11-,12-,13-,14+,15-,16+,17+,18?,20+,21-,22-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@H]1OC3=CC=CC(=C3)OC)O
InChI: InChI=1S/C18H25NO7/c1-10(20)19-14-15(21)16-13(9-23-18(2,3)26-16)25-17(14)24-12-7-5-6-11(8-12)22-4/h5-8,13-17,21H,9H2,1-4H3,(H,19,20)/t13-,14+,15-,16+,17-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H19N3O9/c1-7(19)24-5-10-11(25-8(2)20)12(26-9(3)21)14(27-10)18-6-16-13(17-18)15(22)23-4/h6,10-12,14H,5H2,1-4H3/t10-,11-,12-,14-/m1/s1
SMILES: COC1=CC2=C(C[C@H]([C@@H]2N3CCC(CC3)C4=C5C(=CC=C4)OCCO5)O)C=C1
InChI: InChI=1S/C23H27NO4/c1-26-17-6-5-16-13-20(25)22(19(16)14-17)24-9-7-15(8-10-24)18-3-2-4-21-23(18)28-12-11-27-21/h2-6,14-15,20,22,25H,7-13H2,1H3/t20-,22-/m1/s1
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC([C@@H]([C@]4(CC3)C)OC(=O)C)C
InChI: InChI=1S/C22H32O3/c1-12-9-15-11-16(24)5-6-17(15)18-7-8-22(4)19(20(12)18)10-13(2)21(22)25-14(3)23/h11-13,17-21H,5-10H2,1-4H3/t12-,13?,17+,18-,19+,20-,21+,22+/m1/s1
SMILES: C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C
InChI: InChI=1S/C27H42O3/c1-18(17-28)22-9-10-23-21-8-7-19-16-20(30-25-6-4-5-15-29-25)11-13-26(19,2)24(21)12-14-27(22,23)3/h7,17-18,20-25H,4-6,8-16H2,1-3H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI: InChI=1S/C24H42O20/c25-2-7-12(30)14(32)17(35)22(39-7)42-11-1-6(29)20(9(4-27)38-11)43-24-19(37)16(34)21(10(5-28)41-24)44-23-18(36)15(33)13(31)8(3-26)40-23/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)CC(C=C3NC4=C2C(=O)N(C(=O)N4C)C)(C)C
InChI: InChI=1S/C22H25N3O3/c1-12-6-8-13(9-7-12)16-17-14(10-22(2,3)11-15(17)26)23-19-18(16)20(27)25(5)21(28)24(19)4/h6-10,16-17,23H,11H2,1-5H3/t16-,17-/m1/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=CC=C(C=C1)C(=O)N)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C21H25N3O6/c1-11(24-19(27)15-5-3-4-6-16(15)20(24)28)21(29)30-12(2)18(26)23-14-9-7-13(8-10-14)17(22)25/h7-12,15-16H,3-6H2,1-2H3,(H2,22,25)(H,23,26)/t11-,12-,15+,16+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H14F3N3O6/c1-2-26-11(21)9-10(7-3-5-8(6-4-7)20(24)25)18-12(22)19-13(9,23)14(15,16)17/h3-6,9-10,23H,2H2,1H3,(H2,18,19,22)/t9-,10+,13-/m1/s1
SMILES: C1[C@H]2[C@H](C2NC(=O)NC3=NC=C(C=C3)F)C4=C(C=CC(=C4O1)F)F
InChI: InChI=1S/C16H12F3N3O2/c17-7-1-4-11(20-5-7)21-16(23)22-14-8-6-24-15-10(19)3-2-9(18)13(15)12(8)14/h1-5,8,12,14H,6H2,(H2,20,21,22,23)/t8-,12-,14?/m0/s1
SMILES: CC(=CC[C@H]([C@@]1([C@H]2[C@@H]([C@@H](CC[C@@]2(CO1)O)OC(=O)N)OC)C)O)C
InChI: InChI=1S/C17H29NO6/c1-10(2)5-6-12(19)16(3)14-13(22-4)11(24-15(18)20)7-8-17(14,21)9-23-16/h5,11-14,19,21H,6-9H2,1-4H3,(H2,18,20)/t11-,12-,13-,14-,16-,17+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C7=CC=CC=C7)NC8=CC=C(C=C8)C
InChI: InChI=1S/C39H35N3O5/c1-3-41-35(44)28-20-19-27-30(32(28)37(41)46)21-31-36(45)42(40-25-16-13-22(2)14-17-25)38(47)39(31,24-10-5-4-6-11-24)33(27)29-18-15-23-9-7-8-12-26(23)34(29)43/h4-19,28,30-33,40,43H,3,20-21H2,1-2H3/t28-,30+,31-,32-,33+,39+/m0/s1
SMILES: CCCCCCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=C(C=CC=C3Cl)F
InChI: InChI=1S/C22H23ClFNO3/c1-2-3-4-7-13-25-20(19-16(23)11-8-12-17(19)24)18(22(27)28)14-9-5-6-10-15(14)21(25)26/h5-6,8-12,18,20H,2-4,7,13H2,1H3,(H,27,28)/t18-,20-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN(C)CC(=O)N(C)C)C(=O)OCC=C)O
InChI: InChI=1S/C17H25N3O5S/c1-6-7-25-17(24)14-11(8-19(5)9-12(22)18(3)4)26-16-13(10(2)21)15(23)20(14)16/h6,10,13,16,21H,1,7-9H2,2-5H3/t10-,13+,16-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H](CC[C@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=NC6=C(N=CN=C65)N
InChI: InChI=1S/C33H33N5O3/c1-23(39)41-29-19-28(38-22-37-30-31(34)35-21-36-32(30)38)18-17-24(29)20-40-33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,21-22,24,28-29H,17-20H2,1H3,(H2,34,35,36)/t24-,28+,29+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@H]3[NH+]1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)OC(=O)C
InChI: InChI=1S/C24H20N2O5/c1-13(27)21-19-20(22-18-6-4-3-5-15(18)11-12-25(21)22)24(30)26(23(19)29)16-7-9-17(10-8-16)31-14(2)28/h3-12,19-22H,1-2H3/p+1/t19-,20+,21-,22+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C35H28Cl2N2O7/c36-19-7-4-8-21(15-19)39-32(44)26-17-24-22(10-11-23-29(24)33(45)38(31(23)43)14-13-28(41)42)30(25-16-20(37)9-12-27(25)40)35(26,34(39)46)18-5-2-1-3-6-18/h1-10,12,15-16,23-24,26,29-30,40H,11,13-14,17H2,(H,41,42)/t23-,24+,26-,29-,30+,35+/m0/s1
SMILES: [2H]C([C@@]1(CCC[C@]2([C@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)C)C)O
InChI: InChI=1S/C20H34O3/c1-17(12-21)6-3-7-18(2)16(17)5-4-14-10-15-11-19(14,18)8-9-20(15,23)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1/i12D/t12?,14-,15+,16-,17-,18-,19-,20-
SMILES: CCC1=C[C@@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
InChI: InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19-,21+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3)OC
InChI: InChI=1S/C19H18F3N3O5/c1-29-12-6-5-10(8-13(12)30-2)15-14(16(26)11-4-3-7-23-9-11)18(28,19(20,21)22)25-17(27)24-15/h3-9,14-15,28H,1-2H3,(H2,24,25,27)/t14-,15+,18-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@H]1[C@@H]([C@H](C=CO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C29H42O4Si/c1-22(2)34(23(3)4,24(5)6)33-21-28-29(32-20-26-15-11-8-12-16-26)27(17-18-30-28)31-19-25-13-9-7-10-14-25/h7-18,22-24,27-29H,19-21H2,1-6H3/t27-,28-,29+/m0/s1
SMILES: CCC(C)CC(C)/C=C\[C@@H]1[C@H]([C@@H](C2=C(O1)[C@H](OC2=O)C)O)O
InChI: InChI=1S/C17H26O5/c1-5-9(2)8-10(3)6-7-12-14(18)15(19)13-16(22-12)11(4)21-17(13)20/h6-7,9-12,14-15,18-19H,5,8H2,1-4H3/b7-6-/t9?,10?,11-,12-,14-,15-/m1/s1
SMILES: C1[C@H](C(CC2=CC=CC=C21)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)N5C[C@H]([C@H](C5)O)O
InChI: InChI=1S/C24H24ClN3O4/c25-16-5-6-18-15(7-16)10-20(26-18)23(31)27-19-9-14-4-2-1-3-13(14)8-17(19)24(32)28-11-21(29)22(30)12-28/h1-7,10,17,19,21-22,26,29-30H,8-9,11-12H2,(H,27,31)/t17-,19?,21-,22+/m1/s1