EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3
InChI: InChI=1S/C18H29N3O3S2/c1-14-5-3-6-16(15(14)2)19-17(22)13-20-8-10-21(11-9-20)26(23,24)18-7-4-12-25-18/h4,7,12,14-16H,3,5-6,8-11,13H2,1-2H3,(H,19,22)/t14-,15+,16-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CCCS(=O)(=O)NC[C@@H]4[C@H]5[C@@H]([C@@H]6[C@H](O4)OC(O6)(C)C)OC(O5)(C)C)C
InChI: InChI=1S/C26H43NO12S/c1-23(2)32-15-13(30-21-19(17(15)34-23)36-25(5,6)38-21)10-9-11-40(28,29)27-12-14-16-18(35-24(3,4)33-16)20-22(31-14)39-26(7,8)37-20/h13-22,27H,9-12H2,1-8H3/t13-,14-,15+,16+,17+,18+,19-,20-,21-,22-/m1/s1
SMILES: COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)[C@H]2CC3=CC=CC=C3[C@]([C@@H]2C(=O)O[C@H](C4=CC=CC=C4)C(=O)OC)(C5=CC=CC=C5)O
InChI: InChI=1S/C36H32O9/c1-42-34(39)30(23-14-6-3-7-15-23)44-32(37)27-22-25-18-12-13-21-28(25)36(41,26-19-10-5-11-20-26)29(27)33(38)45-31(35(40)43-2)24-16-8-4-9-17-24/h3-21,27,29-31,41H,22H2,1-2H3/t27-,29-,30+,31+,36-/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4O
InChI: InChI=1S/C15H15NO3/c17-11-4-2-1-3-10(11)16-14(18)12-8-5-6-9(7-8)13(12)15(16)19/h1-4,8-9,12-13,17H,5-7H2/t8-,9-,12-,13-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C21H32N2O4/c1-13-4-2-3-5-17(13)22-20(26)23-18(24)12-27-19(25)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-17H,2-12H2,1H3,(H2,22,23,24,26)/t13-,14?,15?,16?,17+,21?/m1/s1
SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)[C@H]3[C@@H]4C=C[C@]([C@@H]3C2=O)(O4)CO
InChI: InChI=1S/C15H12ClNO4/c16-8-2-1-3-9(6-8)17-13(19)11-10-4-5-15(7-18,21-10)12(11)14(17)20/h1-6,10-12,18H,7H2/t10-,11-,12-,15-/m0/s1
SMILES: COCCOCCOCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI: InChI=1S/C17H35NO7/c1-23-8-9-25-11-10-24-7-5-3-2-4-6-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCOCCO)C(=O)OC5=CC=C(C=C5)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C52H76N4O13/c1-4-6-7-8-9-10-11-12-13-16-27-53-50(60)67-41-25-26-46-44(36-41)48-42(20-15-18-30-58)38(19-14-17-29-57)35-43-45(54-64-3)37-47(52(69-46,49(43)48)66-32-5-2)55(28-33-65-34-31-59)51(61)68-40-23-21-39(22-24-40)56(62)63/h5,21-26,35-36,38,42,47-49,57-59H,2,4,6-20,27-34,37H2,1,3H3,(H,53,60)/t38-,42+,47-,48+,49+,52+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H]([C@@H]1F)O)[S@@](=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C14H19FO2S/c1-9-3-6-11(7-4-9)18(17)12-8-5-10(2)13(15)14(12)16/h3-4,6-7,10,12-14,16H,5,8H2,1-2H3/t10-,12-,13+,14+,18-/m0/s1
SMILES: C[C@@H](C(=O)OCC1=C(C=CC=C1Cl)Cl)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C18H19Cl2NO4/c1-10(18(24)25-9-13-14(19)7-4-8-15(13)20)21-16(22)11-5-2-3-6-12(11)17(21)23/h4,7-8,10-12H,2-3,5-6,9H2,1H3/t10-,11+,12+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O1)O)OC)CI)C
InChI: InChI=1S/C10H17IO5/c1-10(2)15-7-5(4-11)14-9(13-3)6(12)8(7)16-10/h5-9,12H,4H2,1-3H3/t5-,6-,7-,8+,9-/m1/s1
SMILES: CCCCN1C[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)OCCCC
InChI: InChI=1S/C17H25NO4/c1-3-5-9-18-11-17-8-7-12(22-17)13(14(17)15(18)19)16(20)21-10-6-4-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,13-,14+,17-/m1/s1
SMILES: CC1CC=C2[C@H](C1)[C@H](C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)OC
InChI: InChI=1S/C21H20N4O/c1-13-6-7-18-16(8-13)19(14-4-3-5-15(9-14)26-2)17(10-22)20(25)21(18,11-23)12-24/h3-5,7,9,13,16,19H,6,8,25H2,1-2H3/t13?,16-,19+/m0/s1
SMILES: CCOC(=O)C1=C(C2[C@H]3[C@@H](C1([C@@H]4[C@H]2C(=O)N(C4=O)C5=CC=CC(=C5)C)C)C(=O)N(C3=O)C6=CC=CC(=C6)C)C
InChI: InChI=1S/C31H30N2O6/c1-6-39-30(38)23-17(4)20-21-24(28(36)32(26(21)34)18-11-7-9-15(2)13-18)31(23,5)25-22(20)27(35)33(29(25)37)19-12-8-10-16(3)14-19/h7-14,20-22,24-25H,6H2,1-5H3/t20?,21-,22-,24+,25+,31?/m0/s1
SMILES: C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H24ClF3N4O4/c24-18-6-5-14(11-17(18)23(25,26)27)28-19(32)12-29-7-9-30(10-8-29)20(33)13-31-21(34)15-3-1-2-4-16(15)22(31)35/h1-2,5-6,11,15-16H,3-4,7-10,12-13H2,(H,28,32)/t15-,16+
SMILES: C1CN(CCN1CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=NC=CC=N4
InChI: InChI=1S/C17H21N5O2/c23-15-13-4-1-2-5-14(13)16(24)22(15)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-3,6-7,13-14H,4-5,8-12H2/t13-,14+
SMILES: C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@@H](C[C@H]2[C@@]1(O2)C)C(=C)C(CC(C(C)(C)OC(=O)/C(=C\C)/C)O)O)OC(=O)C
InChI: InChI=1S/C27H40O9/c1-10-14(3)24(31)34-23-22(33-17(6)28)18(12-21-27(23,9)35-21)16(5)19(29)13-20(30)26(7,8)36-25(32)15(4)11-2/h10-11,18-23,29-30H,5,12-13H2,1-4,6-9H3/b14-10-,15-11-/t18-,19?,20?,21-,22+,23+,27-/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)C(OC)OCC2=CC=C(C=C2)OC)[C@@H]([C@@H](CC=C)OCC3=CC=CC=C3)O)C
InChI: InChI=1S/C27H36O7/c1-6-10-22(31-17-19-11-8-7-9-12-19)23(28)24-25(34-27(2,3)33-24)26(30-5)32-18-20-13-15-21(29-4)16-14-20/h6-9,11-16,22-26,28H,1,10,17-18H2,2-5H3/t22-,23-,24+,25+,26?/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C18H21NO3.C14H11Cl2NO2/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-7,17H,8H2,(H,18,19)/t11-,12+,17-,18-;/m0./s1
SMILES: CCCCCCCCC1C2C=CN(C=C2C(=O)NC1O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C31H48N7O18P3/c1-2-3-4-5-6-7-8-17-16-9-10-37(11-18(16)29(43)36-28(17)42)30-24(41)22(39)19(53-30)12-51-58(47,48)55-25-23(40)20(13-52-59(49,50)56-57(44,45)46)54-31(25)38-15-35-21-26(32)33-14-34-27(21)38/h9-11,14-17,19-20,22-25,28,30-31,39-42H,2-8,12-13H2,1H3,(H,36,43)(H,47,48)(H,49,50)(H2,32,33,34)(H2,44,45,46)/t16?,17?,19-,20-,22-,23-,24-,25-,28?,30-,31-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C20H27N3O3/c1-14(2)23(16-10-5-4-6-11-16)17(24)13-22-18(25)20(21-19(22)26)12-8-7-9-15(20)3/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3,(H,21,26)/t15-,20-/m0/s1
SMILES: CCOC(=O)C1=CN(N=N1)[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C
InChI: InChI=1S/C13H19N3O5/c1-5-18-11(17)8-6-16(15-14-8)9-7(2)19-12-10(9)20-13(3,4)21-12/h6-7,9-10,12H,5H2,1-4H3/t7-,9+,10-,12-/m1/s1
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)O)O4
InChI: InChI=1S/C15H13NO6/c17-14(12-9-3-4-10(22-9)13(12)15(18)19)16-7-1-2-8-11(5-7)21-6-20-8/h1-5,9-10,12-13H,6H2,(H,16,17)(H,18,19)/t9-,10+,12-,13+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)OC(C)(C)C)SC1)COC(=O)C(C)(C)C
InChI: InChI=1S/C20H30N2O7S/c1-11(23)27-8-12-10-30-16-14(21-18(26)29-20(5,6)7)15(24)22(16)13(12)9-28-17(25)19(2,3)4/h14,16H,8-10H2,1-7H3,(H,21,26)/t14-,16-/m1/s1
SMILES: CS[C@@H]1CCCCCCCC[C@H]2COC[C@@H]2[C@@H]1[NH+]3CCOCC3
InChI: InChI=1S/C19H35NO2S/c1-23-18-9-7-5-3-2-4-6-8-16-14-22-15-17(16)19(18)20-10-12-21-13-11-20/h16-19H,2-15H2,1H3/p+1/t16-,17-,18+,19-/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC(=C(C=C3)Br)Br)C(=O)OC
InChI: InChI=1S/C16H19Br2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11+,14+,15-/m0/s1
SMILES: CC(C)[Si]1([C@H]([C@H]2[C@@H](O1)[C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C=C)C(C)C
InChI: InChI=1S/C36H46O5Si/c1-6-32-34-36(41-42(32,26(2)3)27(4)5)35(39-24-30-20-14-9-15-21-30)33(38-23-29-18-12-8-13-19-29)31(40-34)25-37-22-28-16-10-7-11-17-28/h6-21,26-27,31-36H,1,22-25H2,2-5H3/t31-,32+,33-,34+,35+,36-/m1/s1
SMILES: CC[C@]12[C@@H]([C@@H]3[C@H]([C@](O1)([C@H]([C@@](O3)(O2)[C@@H](C)C=O)C)O)C)C
InChI: InChI=1S/C15H24O5/c1-6-13-9(3)12-10(4)14(17,19-13)11(5)15(18-12,20-13)8(2)7-16/h7-12,17H,6H2,1-5H3/t8-,9+,10+,11+,12+,13-,14-,15-/m0/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCC)OCC=C
InChI: InChI=1S/C49H63N3O10/c1-4-27-59-49-43(52(48(56)57-6-3)32-35-19-15-18-33-16-7-8-20-37(33)35)31-41(51-62-44-22-11-14-28-58-44)39-29-34(17-9-12-25-53)38(21-10-13-26-54)45(46(39)49)40-30-36(23-24-42(40)61-49)60-47(55)50-5-2/h4,7-8,15-16,18-20,23-24,29-30,34,38,43-46,53-54H,1,5-6,9-14,17,21-22,25-28,31-32H2,2-3H3,(H,50,55)/t34-,38+,43-,44?,45+,46+,49+/m0/s1
SMILES: CC(C)(C)N1C(=O)N[C@@]2([C@@]1(N(C(=O)N2C)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H26N4O2/c1-20(2,3)26-18(27)23-21(16-12-8-6-9-13-16)22(26,17-14-10-7-11-15-17)25(5)19(28)24(21)4/h6-15H,1-5H3,(H,23,27)/t21-,22+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)[C@H]2[C@H]3C[C@@](NC2=O)(OC4=CC=CC=C34)C
InChI: InChI=1S/C21H23NO4S/c1-13(2)14-8-10-15(11-9-14)27(24,25)19-17-12-21(3,22-20(19)23)26-18-7-5-4-6-16(17)18/h4-11,13,17,19H,12H2,1-3H3,(H,22,23)/t17-,19-,21-/m0/s1
SMILES: C[Si](C)(C)C#C[Si](C)(C)O[C@@H]1[C@H](CC2=CC=CC=C12)I
InChI: InChI=1S/C16H23IOSi2/c1-19(2,3)10-11-20(4,5)18-16-14-9-7-6-8-13(14)12-15(16)17/h6-9,15-16H,12H2,1-5H3/t15-,16-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CC=C4[C@]3(CC[C@H](C4)OS(=O)(=O)O)C
InChI: InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m1/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C=CC(=C6)Br)O)C(=O)C=C(C5=O)Br
InChI: InChI=1S/C29H19Br2ClF3N3O5/c1-37(26-18(32)5-7-21(36-26)29(33,34)35)38-27(42)13-4-3-12-14(23(13)28(38)43)9-16-24(20(40)10-17(31)25(16)41)22(12)15-8-11(30)2-6-19(15)39/h2-3,5-8,10,13-14,22-23,39H,4,9H2,1H3/t13-,14+,22+,23-/m0/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=CC=C(S3)Cl
InChI: InChI=1S/C21H21ClN4S/c1-20(2,3)12-4-5-15-13(8-12)18(16-6-7-17(22)27-16)14(9-23)19(26)21(15,10-24)11-25/h5-7,12-14,18,26H,4,8H2,1-3H3/t12-,13+,14-,18+/m1/s1
SMILES: COC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCC(=O)O
InChI: InChI=1S/C26H22BrNO8/c1-36-18-4-2-3-12(24(18)33)20-11-5-6-13-21(26(35)28(25(13)34)8-7-19(30)31)14(11)9-15-22(20)17(29)10-16(27)23(15)32/h2-5,10,13-14,20-21,33H,6-9H2,1H3,(H,30,31)/t13-,14+,20+,21-/m0/s1
SMILES: CC(C)(C)O[C@@H]1CN2CCC(=O)C3([C@@H]2[C@H]1OC(C)(C)C)CC3
InChI: InChI=1S/C18H31NO3/c1-16(2,3)21-12-11-19-10-7-13(20)18(8-9-18)15(19)14(12)22-17(4,5)6/h12,14-15H,7-11H2,1-6H3/t12-,14+,15+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@H]1CC[C@@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5
InChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18-,20+,21+,22-/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C2=CC=CC=C2)O/C(=C(\C3=CC=CC=C3)/[N+]#N)/O
InChI: InChI=1S/C20H20N2O2/c21-22-19(16-11-5-2-6-12-16)20(23)24-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17-18H,7-8,13-14H2/p+1/b20-19+/t17-,18+/m1/s1
SMILES: COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NC[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C23H33N5O5S/c1-33-22-20(3-2-9-25-22)21(29)24-10-6-16-7-11-28(12-8-16)34(31,32)27-23(30)26-15-19-14-17-4-5-18(19)13-17/h2-5,9,16-19H,6-8,10-15H2,1H3,(H,24,29)(H2,26,27,30)/t17-,18+,19-/m1/s1
SMILES: CCOC(=O)C[C@@H]1[C@@](C[C@@]2([C@@H](O1)C[C@@H]3[C@@H](O2)CO[C@@H](O3)C4=CC=CC=C4)C)(C)O
InChI: InChI=1S/C22H30O7/c1-4-25-19(23)11-17-21(2,24)13-22(3)18(28-17)10-15-16(29-22)12-26-20(27-15)14-8-6-5-7-9-14/h5-9,15-18,20,24H,4,10-13H2,1-3H3/t15-,16+,17-,18+,20+,21+,22-/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C44H51N3O7S/c1-5-24-52-44-40(47(2)43(50)30-14-12-29(28-45)13-15-30)27-38(46-51-3)36-25-31(10-6-8-22-48)35(11-7-9-23-49)41(42(36)44)37-26-33(18-21-39(37)54-44)53-32-16-19-34(55-4)20-17-32/h5,12-21,25-26,31,35,40-42,48-49H,1,6-11,22-24,27H2,2-4H3/t31-,35+,40-,41+,42+,44+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H](N1)CN[C@H](CO)C2=CC=CC=C2)O)O
InChI: InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11-,12+,13-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)Br)O)OC)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H27BrCl2F4N4O6/c1-34-19(31(49)45(33(34)51)15-4-8-23(39)22(38)12-15)13-18-16(27(34)14-10-20(36)28(47)24(11-14)52-3)5-6-17-26(18)32(50)46(30(17)48)44(2)29-21(37)7-9-25(43-29)35(40,41)42/h4-5,7-12,17-19,26-27,47H,6,13H2,1-3H3/t17-,18+,19-,26-,27-,34+/m0/s1
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C18H23NO5S/c1-24-18(23)14-12-8-4-5-9-13(12)25-16(14)19-15(20)10-6-2-3-7-11(10)17(21)22/h10-11H,2-9H2,1H3,(H,19,20)(H,21,22)/p-1/t10-,11+/m1/s1
SMILES: CN1C[C@@H](C[C@@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)N(C(=O)C5)C6=CC=CC=C6
InChI: InChI=1S/C26H28N4O2/c1-28-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)28)14-29-15-24(31)30(25(32)16-29)19-6-3-2-4-7-19/h2-9,12,17,21,23,27H,10-11,13-16H2,1H3/t17-,21+,23-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CC(=O)O)CCC(=O)CCCCCO)O
InChI: InChI=1S/C18H30O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,14-17,19,21-22H,1-2,5-12H2,(H,23,24)/b4-3-/t14-,15-,16+,17-/m1/s1
SMILES: C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)OC5[C@@H](C([C@@H]([C@H](O5)CO)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI: InChI=1S/C26H26O18/c27-3-9-14(31)17(34)18(35)25(40-9)44-22-16(33)10(4-28)41-26(19(22)36)39-8-2-6-12-11-5(23(37)43-21(12)15(8)32)1-7(29)13(30)20(11)42-24(6)38/h1-2,9-10,14,16-19,22,25-36H,3-4H2/t9-,10-,14-,16-,17+,18-,19-,22?,25-,26?/m1/s1
SMILES: CC(=O)CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OCC2=CC=CC=C2)O[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3OC(=O)C)OCC5=CC=CC=C5)OC)OC
InChI: InChI=1S/C35H42O14/c1-20(36)15-16-25(38)47-29-27(40-3)31(41-4)35(49-30(29)33(39)43-18-23-13-9-6-10-14-23)48-26-24-19-44-34(46-24)32(28(26)45-21(2)37)42-17-22-11-7-5-8-12-22/h5-14,24,26-32,34-35H,15-19H2,1-4H3/t24-,26-,27+,28+,29+,30+,31-,32-,34-,35-/m1/s1
SMILES: C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O)OC(=O)C
InChI: InChI=1S/C25H40O5/c1-15(29-16(2)26)25(28)13-10-22-20-7-6-18-14-19(30-17(3)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h15,18-22,28H,6-14H2,1-5H3/t15-,18-,19-,20-,21+,22-,23-,24-,25-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C50H49N3O10/c1-30(2)40(46(57)61-3)51-49(60)52-38-25-24-32(23-22-31-14-7-4-8-15-31)28-37(38)50(48(52)59)39(45(55)56)42-47(58)63-43(34-18-11-6-12-19-34)41(33-16-9-5-10-17-33)53(42)44(50)35-20-13-21-36(29-35)62-27-26-54/h5-6,9-14,16-21,24-25,28-30,39-44,54H,4,7-8,15,26-27H2,1-3H3,(H,51,60)(H,55,56)/t39-,40+,41-,42-,43+,44+,50-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](SC2=CC=CC=C2N3C1=CC=C3CN(C)C)C4=CC=CC=C4
InChI: InChI=1S/C23H24N2O2S/c1-16(26)27-22-20-14-13-18(15-24(2)3)25(20)19-11-7-8-12-21(19)28-23(22)17-9-5-4-6-10-17/h4-14,22-23H,15H2,1-3H3/t22-,23-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)O)C
InChI: InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h4-5,10,15-19,24H,6-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1
SMILES: CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H]3[C@@H]2OC(O3)(C)C)N4C=NC5=C(N=C(N=C54)Cl)NCC6=C(C=CC(=C6)CC#CO)Cl
InChI: InChI=1S/C27H27Cl2N5O5/c1-4-37-24(36)27-11-16(27)19(20-21(27)39-26(2,3)38-20)34-13-31-18-22(32-25(29)33-23(18)34)30-12-15-10-14(6-5-9-35)7-8-17(15)28/h7-8,10,13,16,19-21,35H,4,6,11-12H2,1-3H3,(H,30,32,33)/t16-,19-,20+,21+,27+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC(C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C30H42O14/c1-29(2,3)17-6-8-18(9-7-17)42-16-30(39,10-4-12-40-27-25(37)23(35)21(33)19(14-31)43-27)11-5-13-41-28-26(38)24(36)22(34)20(15-32)44-28/h6-9,19-28,31-39H,12-16H2,1-3H3/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28+/m1/s1
SMILES: CC1=C(CCC1)CSC2=C(CC[C@@]3(N2[C@H]([C@@H](O3)C4=CC=CC=C4)COC)C)C
InChI: InChI=1S/C24H33NO2S/c1-17-9-8-12-20(17)16-28-23-18(2)13-14-24(3)25(23)21(15-26-4)22(27-24)19-10-6-5-7-11-19/h5-7,10-11,21-22H,8-9,12-16H2,1-4H3/t21-,22-,24+/m0/s1
SMILES: CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)O)O)O
InChI: InChI=1S/C12H18N2O9/c1-4(15)13-3-6(17)9(18)10-8(14-12(21)22)5(16)2-7(23-10)11(19)20/h2,5-6,8-10,14,16-18H,3H2,1H3,(H,13,15)(H,19,20)(H,21,22)/t5-,6-,8+,9-,10+/m0/s1
SMILES: CC1([C@H]2[C@@H]1[C@@H]([C@H](C[C@@H]2O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(OC)OC)COC(=O)C(C)(C)C)C
InChI: InChI=1S/C34H50O5Si/c1-32(2,3)31(35)38-22-26-25(30(36-9)37-10)21-27(29-28(26)34(29,7)8)39-40(33(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-30H,21-22H2,1-10H3/t25-,26+,27-,28-,29+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(C9=CC=CC=C89)O)C(=O)N(C7=O)C1=CC=CC(=C1)C(=O)O)C
InChI: InChI=1S/C45H35ClN4O7S/c1-21-30-18-23(46)11-16-35(30)58-39(21)33-20-36(48(3)47-33)50-41(53)32-19-31-28(38(45(32,2)44(50)57)27-14-15-34(51)26-10-5-4-9-25(26)27)12-13-29-37(31)42(54)49(40(29)52)24-8-6-7-22(17-24)43(55)56/h4-12,14-18,20,29,31-32,37-38,51H,13,19H2,1-3H3,(H,55,56)/t29-,31+,32-,37-,38-,45+/m0/s1
SMILES: CC(C)C(=O)[C@@H]1[C@]([C@H](C[C@]2([C@@]1(C(=O)/C(=C/C=C(C)C)/OC2=O)O)CC=C(C)C)CC=C(C)C)(C)CCC=C(C)C
InChI: InChI=1S/C35H52O5/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)32(38)40-28(17-15-24(5)6)31(37)35(34,39)30(33)29(36)26(9)10/h13-15,17-18,26-27,30,39H,12,16,19-21H2,1-11H3/b28-17-/t27-,30+,33+,34+,35+/m0/s1
SMILES: C[C@@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17-,18+,19+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC5=C(C4)N=C6C(=C5)C=CC7=C6N=CC=C7)C)C
InChI: InChI=1S/C37H50N2/c1-23(2)8-6-9-24(3)30-15-16-31-29-14-13-28-21-33-27(22-37(28,5)32(29)17-18-36(30,31)4)20-26-12-11-25-10-7-19-38-34(25)35(26)39-33/h7,10-12,19-20,23-24,28-32H,6,8-9,13-18,21-22H2,1-5H3/t24-,28-,29+,30-,31+,32+,36-,37+/m1/s1
SMILES: C1=CC=C(C(=C1)N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C(=O)C4=CC=CO4)[N+](=O)[O-]
InChI: InChI=1S/C16H9N3O7/c20-13(10-6-3-7-25-10)12-11-14(26-17-12)16(22)18(15(11)21)8-4-1-2-5-9(8)19(23)24/h1-7,11,14H/t11-,14+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C35H56O4/c1-21(2)20-28(36)39-27-14-15-32(7)25(31(27,5)6)13-16-34(9)26(32)11-10-24-29-23(4)22(3)12-17-35(29,30(37)38)19-18-33(24,34)8/h10,21-23,25-27,29H,11-20H2,1-9H3,(H,37,38)/t22-,23+,25+,26-,27+,29+,32+,33-,34-,35+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC2=CC=CC=C2)O)OC(=O)C
InChI: InChI=1S/C26H33NO13/c1-14(28)27-22-20(37-16(3)30)11-26(34,25(33)36-12-19-9-7-6-8-10-19)40-24(22)23(39-18(5)32)21(38-17(4)31)13-35-15(2)29/h6-10,20-24,34H,11-13H2,1-5H3,(H,27,28)/t20-,21+,22+,23+,24+,26?/m0/s1
SMILES: C1CCCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3
InChI: InChI=1S/C19H25N3O3S2/c23-18(22-9-3-1-2-4-10-22)11-14-5-7-15(8-6-14)20-19-21-16-12-27(24,25)13-17(16)26-19/h5-8,16-17H,1-4,9-13H2,(H,20,21)/t16-,17-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H15ClFN/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2/t14-,15+,18+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C(=O)C2(CCC2)[C@H](CC(=O)O[C@@H](C/C=C(\CCO1)/C)/C(=C/C3=CSC(=N3)C)/Cl)O)CC=C)O
InChI: InChI=1S/C28H38ClNO6S/c1-5-7-21-26(33)18(3)35-13-10-17(2)8-9-23(22(29)14-20-16-37-19(4)30-20)36-25(32)15-24(31)28(27(21)34)11-6-12-28/h5,8,14,16,18,21,23-24,26,31,33H,1,6-7,9-13,15H2,2-4H3/b17-8-,22-14-/t18-,21-,23+,24+,26-/m1/s1
SMILES: CC(C)CCN1CNC(=O)C12CCN(CC2)[C@@H]3CCCC[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C24H37N3O/c1-19(2)12-15-27-18-25-23(28)24(27)13-16-26(17-14-24)22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-5,8-9,19,21-22H,6-7,10-18H2,1-2H3,(H,25,28)/t21-,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NC=NC3=C2SN=C3C4=CC=C(C=C4)F
InChI: InChI=1S/C20H21FN4OS2/c1-12-4-2-3-5-15(12)24-16(26)10-27-20-19-18(22-11-23-20)17(25-28-19)13-6-8-14(21)9-7-13/h6-9,11-12,15H,2-5,10H2,1H3,(H,24,26)/t12-,15+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2C#C)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C20H24O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h1,6,8,12,14,17-19,21H,4-5,7,9-11H2,2H3/t14?,17-,18-,19+,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](OCC1CO)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C19H30O5Si/c1-19(2,3)25(4,5)24-11-15-14(9-20)10-21-18(15)13-6-7-16-17(8-13)23-12-22-16/h6-8,14-15,18,20H,9-12H2,1-5H3/t14?,15-,18+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18?/m0/s1
SMILES: CCCOC1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OCC4=CC=C(C=C4)Cl)F
InChI: InChI=1S/C28H28ClFN2O8/c1-3-12-37-21-10-6-19(7-11-21)26(34)32-27(35)22(30)14-31(28(32)36)25-13-23(24(40-25)16-38-17(2)33)39-15-18-4-8-20(29)9-5-18/h4-11,14,23-25H,3,12-13,15-16H2,1-2H3/t23-,24+,25+/m0/s1
SMILES: CC1=CCC(CC1)C(=C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C22H36O11/c1-10-3-5-12(6-4-10)11(2)9-30-22-20(18(28)16(26)14(8-24)32-22)33-21-19(29)17(27)15(25)13(7-23)31-21/h3,12-29H,2,4-9H2,1H3/t12?,13-,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C18H31N3O15/c19-21-20-1-4-14(35-17-12(29)8(25)7(24)5(2-22)34-17)10(27)13(30)18(33-4)36-15-6(3-23)32-16(31)11(28)9(15)26/h4-18,22-31H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)COC(C)C
InChI: InChI=1S/C21H30N2O5/c1-14(2)27-12-16-8-10-17(11-9-16)20(25)28-13-19(24)23-21(26)22-18-7-5-4-6-15(18)3/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H2,22,23,24,26)/t15-,18-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2CC[C@@H]([C@@H]1CC(C3=CC=CC=C3CC(=O)OC)OC(=O)C)O2
InChI: InChI=1S/C22H28O7/c1-13(23)27-12-18-17(19-8-9-20(18)29-19)11-21(28-14(2)24)16-7-5-4-6-15(16)10-22(25)26-3/h4-7,17-21H,8-12H2,1-3H3/t17-,18+,19+,20-,21?/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@@]1(C(=O)[C@@]([C@H]([C@H]3OC(=O)C4=CC=CC=C4)C=C)(C)O)O)([C@H]([C@H]([C@H](C2(C)C)OC(=O)C5=CC=CC=C5)O)OC(=O)C)C
InChI: InChI=1S/C38H44O12/c1-8-24-28(49-32(42)22-15-11-9-12-16-22)29-36(6)25(19-26(47-20(2)39)38(29,46)34(44)37(24,7)45)35(4,5)30(27(41)31(36)48-21(3)40)50-33(43)23-17-13-10-14-18-23/h8-18,24-31,41,45-46H,1,19H2,2-7H3/t24-,25-,26+,27-,28+,29+,30+,31-,36-,37-,38-/m0/s1
SMILES: CN1[C@@H]2[C@H]3CO[C@@H]4C[C@H]3[C@@]([C@H]2[C@]45C6=CC=CC=C6N(C5=O)COCC[Si](C)(C)C)(C1=O)C=C
InChI: InChI=1S/C26H34N2O4Si/c1-6-25-18-13-20-26(22(25)21(16(18)14-32-20)27(2)23(25)29)17-9-7-8-10-19(17)28(24(26)30)15-31-11-12-33(3,4)5/h6-10,16,18,20-22H,1,11-15H2,2-5H3/t16-,18+,20+,21+,22-,25-,26-/m0/s1
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-]
InChI: InChI=1S/C15H18ClNO3/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/p-1/t11-,12-/m1/s1
SMILES: CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CN4CCN(CC4)C)C.Cl.Cl
InChI: InChI=1S/C21H29N3O3.2ClH/c1-14-4-5-17-15(12-14)21(2)7-6-16(25)19(20(21)27-17)22-18(26)13-24-10-8-23(3)9-11-24;;/h4-5,12,19-20H,6-11,13H2,1-3H3,(H,22,26);2*1H/t19-,20-,21-;;/m1../s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15FN2O2/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(22)23/h1-2,4-10,14-15,18,20H,3H2/t14-,15+,18-/m1/s1
SMILES: CC(C)[C@H]1COC(=N1)[C@]2([C@H](C=CC3=CC=CC=C32)[Si](C)(C)C4=CC=CC=C4)C
InChI: InChI=1S/C25H31NOSi/c1-18(2)22-17-27-24(26-22)25(3)21-14-10-9-11-19(21)15-16-23(25)28(4,5)20-12-7-6-8-13-20/h6-16,18,22-23H,17H2,1-5H3/t22-,23+,25-/m1/s1
SMILES: C1=CC=C(C=C1)CCCCC2=N[C@@H]([C@@H](N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H26N2/c1-4-12-20(13-5-1)14-10-11-19-23-26-24(21-15-6-2-7-16-21)25(27-23)22-17-8-3-9-18-22/h1-9,12-13,15-18,24-25H,10-11,14,19H2,(H,26,27)/t24-,25+
SMILES: CCOC(=O)[C@@H]1[C@H]2CC=C[C@H]2C3=C(C=CC(=C3N1)Cl)C(=O)O
InChI: InChI=1S/C16H16ClNO4/c1-2-22-16(21)13-9-5-3-4-8(9)12-10(15(19)20)6-7-11(17)14(12)18-13/h3-4,6-9,13,18H,2,5H2,1H3,(H,19,20)/t8-,9+,13+/m1/s1