EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O6/c1-12-8-9-17(28-3)16(10-12)22-18(24)11-29-21(27)13(2)23-19(25)14-6-4-5-7-15(14)20(23)26/h4-5,8-10,13-15H,6-7,11H2,1-3H3,(H,22,24)/t13-,14-,15-/m0/s1
SMILES: CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H22N2O3/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-9,15-16H,2,10-13H2,1H3/t15-,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@]4([C@@H]3CCC(=O)C4)O
InChI: InChI=1S/C20H28O3/c1-3-20(23)11-8-16-14-7-10-19(22)12-13(21)4-5-17(19)15(14)6-9-18(16,20)2/h1,14-17,22-23H,4-12H2,2H3/t14-,15+,16+,17-,18+,19-,20+/m1/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C47H59FN2O8S/c1-4-26-56-47-43(50(46(53)54-5-2)32-33-18-20-35(48)21-19-33)31-41(49-57-6-3)39-29-34(14-10-12-24-51)38(17-11-13-25-52)44(45(39)47)40-30-36(22-23-42(40)58-47)55-27-28-59-37-15-8-7-9-16-37/h4,7-9,15-16,18-23,29-30,34,38,43-45,51-52H,1,5-6,10-14,17,24-28,31-32H2,2-3H3/t34-,38+,43-,44+,45+,47+/m0/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)N)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)N=[N+]=[N-])CO)CO)O)CO)O)O)O)O
InChI: InChI=1S/C24H42N4O19/c25-9-12(35)18(45-23-16(39)13(36)10(33)5(1-29)42-23)8(4-32)44-22(9)47-20-11(34)6(2-30)43-24(17(20)40)46-19-7(3-31)41-21(27-28-26)15(38)14(19)37/h5-24,29-40H,1-4,25H2/t5-,6-,7-,8-,9-,10+,11+,12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,23+,24+/m1/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@]34C1[C@H]([C@@H](C23)OC)[C@]5([C@H]([C@@H]([C@]6(CC4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OC(=O)C)OC)O)COC
InChI: InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20-,21+,22?,23+,24+,25?,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
SMILES: COC(=O)[C@H]1C(=C)C=[S+][C@H]2N1C(=O)[C@H]2N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C17H13N2O5S/c1-8-7-25-16-12(15(22)19(16)11(8)17(23)24-2)18-13(20)9-5-3-4-6-10(9)14(18)21/h3-7,11-12,16H,1H2,2H3/q+1/t11-,12-,16-/m1/s1
SMILES: C1[C@H]([C@@H](CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H20O5/c1-3-17-19(24-11-22-17)7-13(1)5-15-9-21-10-16(15)6-14-2-4-18-20(8-14)25-12-23-18/h1-4,7-8,15-16H,5-6,9-12H2/t15-,16-/m1/s1
SMILES: C[C@H](CO)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C
InChI: InChI=1S/C38H52O2Si/c1-27(26-39)33-19-20-34-32-18-17-28-25-29(21-23-37(28,5)35(32)22-24-38(33,34)6)40-41(36(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-17,19,27,29,32,34-35,39H,18,20-26H2,1-6H3/t27-,29+,32+,34+,35+,37+,38-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C42H55N3O7/c1-6-20-45(40(49)29-16-14-28(27-43)15-17-29)37-26-35(44-52-41(3,4)5)33-24-30(12-8-10-21-46)32(13-9-11-22-47)38-34-25-31(48)18-19-36(34)51-42(37,39(33)38)50-23-7-2/h7,14-19,24-25,30,32,37-39,46-48H,2,6,8-13,20-23,26H2,1,3-5H3/t30-,32+,37-,38+,39+,42+/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3F)/C=C(/C(F)(F)F)\Cl)C
InChI: InChI=1S/C23H17ClF5NO3/c1-22(2)13(10-19(24)23(27,28)29)20(22)21(31)33-18(11-30)12-7-8-15(26)17(9-12)32-16-6-4-3-5-14(16)25/h3-10,13,18,20H,1-2H3/b19-10-/t13-,18+,20-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=C(C=C5)C=CC(=O)OCC(F)(F)F)OCO4)O
InChI: InChI=1S/C28H32F3N3O11/c1-14(36)19(24(38)32-8-9-35)33-26(40)27-10-17-20-21(43-13-42-20)23(27)45-34(22(27)25(39)44-17)11-16-4-2-15(3-5-16)6-7-18(37)41-12-28(29,30)31/h2-7,14,17,19-23,35-36H,8-13H2,1H3,(H,32,38)(H,33,40)/t14-,17+,19+,20-,21-,22-,23+,27-/m0/s1
SMILES: C[C@@]1([C@]2([C@@]1([C@@]3(N=C2N)OCCS3)C#N)C#N)CC(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C20H22N4OS/c1-16(2,14-7-5-4-6-8-14)11-17(3)18(12-21)15(23)24-20(19(17,18)13-22)25-9-10-26-20/h4-8H,9-11H2,1-3H3,(H2,23,24)/t17-,18-,19+,20+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C15H17F3O8S/c1-22-14-12(26-27(20,21)15(16,17)18)10(19)11-9(24-14)7-23-13(25-11)8-5-3-2-4-6-8/h2-6,9-14,19H,7H2,1H3/t9-,10+,11-,12-,13-,14+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)/C=N\NC(=S)N[C@H]2CCCC[C@@H]2C)OCC(=O)N(C)C
InChI: InChI=1S/C21H32N4O3S/c1-5-27-19-12-16(10-11-18(19)28-14-20(26)25(3)4)13-22-24-21(29)23-17-9-7-6-8-15(17)2/h10-13,15,17H,5-9,14H2,1-4H3,(H2,23,24,29)/b22-13-/t15-,17-/m0/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=CC=C3Cl
InChI: InChI=1S/C14H15ClN2O4S2/c1-21-6-13(18)16-14-17(10-5-3-2-4-9(10)15)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC(=CC=C3)O
InChI: InChI=1S/C18H23NO4/c20-15-8-3-6-14(11-15)18(22)23-12-17(21)19-10-4-7-13-5-1-2-9-16(13)19/h3,6,8,11,13,16,20H,1-2,4-5,7,9-10,12H2/t13-,16+/m1/s1
SMILES: C[C@H](CC=C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C28H44O4/c1-7-8-17(2)22-9-10-23-21-16-26(32-19(4)30)25-15-20(31-18(3)29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7,17,20-26H,1,8-16H2,2-6H3/t17-,20-,21+,22-,23+,24+,25+,26+,27-,28-/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CCCC(=C)[C@]4(CC[C@@H]3[C@]2(CC[C@@H]1O)C)C
InChI: InChI=1S/C22H36O/c1-14-6-5-7-18-16-8-9-17-15(2)20(23)11-13-22(17,4)19(16)10-12-21(14,18)3/h15-20,23H,1,5-13H2,2-4H3/t15-,16-,17-,18-,19-,20-,21+,22-/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: CC(=O)O[C@H]1C[C@@H]2[C@H](C3([C@@H]1[C@]45CCC[C@]([C@H]4C[C@@H]3OC)(COC5)C)C(=O)C2=C)O
InChI: InChI=1S/C23H32O6/c1-12-14-8-15(29-13(2)24)18-22-7-5-6-21(3,10-28-11-22)16(22)9-17(27-4)23(18,19(12)25)20(14)26/h14-18,20,26H,1,5-11H2,2-4H3/t14-,15-,16+,17-,18-,20+,21-,22-,23?/m0/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=CC(=O)N(C3=O)[N+](=O)[O-])I)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C21H36IN3O8Si2/c1-12(2)34(13(3)4)30-11-16-19(32-35(33-34,14(5)6)15(7)8)18(22)20(31-16)23-10-9-17(26)24(21(23)27)25(28)29/h9-10,12-16,18-20H,11H2,1-8H3/t16-,18+,19-,20-/m1/s1
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C37H61N11O13S/c1-19(2)13-20(14-28(51)48-61)34(57)44-22(10-11-26(38)49)36(59)45-23(15-31(54)55)35(58)42-16-29(52)41-17-30(53)43-21(33(39)56)7-5-6-12-40-27(50)9-4-3-8-25-32-24(18-62-25)46-37(60)47-32/h19-25,32,61H,3-18H2,1-2H3,(H2,38,49)(H2,39,56)(H,40,50)(H,41,52)(H,42,58)(H,43,53)(H,44,57)(H,45,59)(H,48,51)(H,54,55)(H2,46,47,60)/t20?,21-,22-,23-,24-,25-,32-/m0/s1
SMILES: C[C@@H]1CN(C[C@@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O
InChI: InChI=1S/C18H23FN4O3.CH4O3S/c1-9-6-22(8-13(9)20)16-12(19)5-10-14(24)11(17(25)26)7-23(15(10)21-16)18(2,3)4;1-5(2,3)4/h5,7,9,13H,6,8,20H2,1-4H3,(H,25,26);1H3,(H,2,3,4)/t9-,13+;/m1./s1
SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2N[C@H]([C@H](N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H26Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-25,28-29H,1-3H3/t23-,24+,25?
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)Cl
InChI: InChI=1S/C35H27BrCl2N2O7/c1-39-32(45)34(37)16-24-21(27(35(34,38)33(39)46)23-14-19(36)15-25(47-2)29(23)42)12-13-22-26(24)31(44)40(30(22)43)20-10-8-18(9-11-20)28(41)17-6-4-3-5-7-17/h3-12,14-15,22,24,26-27,42H,13,16H2,1-2H3/t22-,24+,26-,27+,34+,35-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H24FN5OS/c1-11-4-3-5-15(12(11)2)21-16(25)10-26-18-23-22-17(24(18)20)13-6-8-14(19)9-7-13/h6-9,11-12,15H,3-5,10,20H2,1-2H3,(H,21,25)/t11-,12-,15-/m1/s1
SMILES: CCO[C@]1([C@@H](CCC1=O)N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C30H31NO5/c1-2-35-30(21-34-20-22-12-6-3-7-13-22)25(18-19-26(30)32)31-27(23-14-8-4-9-15-23)28(36-29(31)33)24-16-10-5-11-17-24/h3-17,25,27-28H,2,18-21H2,1H3/t25-,27-,28+,30+/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CO[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)O
InChI: InChI=1S/C19H24O4/c1-11(20)16-7-8-17-15-5-3-12-9-13(22-2)4-6-14(12)18(15)23-10-19(16,17)21/h4,6,9,15-18,21H,3,5,7-8,10H2,1-2H3/t15-,16-,17-,18+,19-/m0/s1
SMILES: CCCC[C@@H](C)[C@H]1CC(=O)[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C31H56O2Si/c1-10-11-12-21(2)26-20-27(32)28-24-14-13-22-19-23(33-34(8,9)29(3,4)5)15-17-30(22,6)25(24)16-18-31(26,28)7/h21-26,28H,10-20H2,1-9H3/t21-,22+,23+,24-,25+,26-,28-,30+,31-/m1/s1
SMILES: COC(=O)C1=CC=CC=C1NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H17NO5/c1-22-16(21)12-8-4-5-9-13(12)17-14(18)10-6-2-3-7-11(10)15(19)20/h2-5,8-11H,6-7H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[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)CCCC(=O)O)O
InChI: InChI=1S/C39H35ClFN3O7/c1-2-5-21-6-3-7-28(34(21)47)33-26-17-18-27-32(37(50)43(35(27)48)19-4-8-31(45)46)29(26)20-30-36(49)44(42-25-15-13-24(41)14-16-25)38(51)39(30,33)22-9-11-23(40)12-10-22/h2-3,6-7,9-17,27,29-30,32-33,42,47H,1,4-5,8,18-20H2,(H,45,46)/t27-,29+,30-,32-,33+,39+/m0/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCC4=CC=CC=N4
InChI: InChI=1S/C21H28N2O2/c1-14-6-5-8-21(2)11-19-16(10-18(14)21)17(20(24)25-19)13-22-12-15-7-3-4-9-23-15/h3-4,7,9,16-19,22H,1,5-6,8,10-13H2,2H3/t16-,17+,18-,19-,21-/m1/s1
SMILES: CCCCCCCCCCCC(CC(=O)O[C@H]1CN(C(C(=O)N(C1C(=O)OC)C)[C@H](C2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)OC4[C@@H]([C@@H]([C@H](O4)CN)O)O)C)OC(=O)CC(C)CC(=O)OC5C(C(C(C(O5)C)OC)OC)OC
InChI: InChI=1S/C52H85N5O22/c1-10-11-12-13-14-15-16-17-18-19-29(74-33(59)22-27(2)23-34(60)77-51-46(71-8)45(70-7)42(69-6)28(3)73-51)24-35(61)75-31-26-55(4)37(47(66)56(5)36(31)49(67)72-9)43(79-50-41(65)38(62)30(25-53)76-50)44-39(63)40(64)48(78-44)57-21-20-32(58)54-52(57)68/h20-21,27-31,36-46,48,50-51,62-65H,10-19,22-26,53H2,1-9H3,(H,54,58,68)/t27?,28?,29?,30-,31+,36?,37?,38-,39+,40-,41-,42?,43-,44?,45?,46?,48?,50?,51?/m1/s1
SMILES: C1=NC(=C2C(=N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H](O2)C(=O)C3=CC=CC=C3OCC4=CC=CC=C4
InChI: InChI=1S/C23H20O3/c1-16-11-13-18(14-12-16)22-23(26-22)21(24)19-9-5-6-10-20(19)25-15-17-7-3-2-4-8-17/h2-14,22-23H,15H2,1H3/t22-,23+/m1/s1
SMILES: C(CCl)N(C(=O)NC1[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N=O
InChI: InChI=1S/C8H14ClN3O6/c9-1-2-12(11-18)8(17)10-3-4(13)6(15)7(16)5(3)14/h3-7,13-16H,1-2H2,(H,10,17)/t3?,4-,5+,6-,7-/m0/s1
SMILES: COC1=CC2=C(C(=C1)O)C(=O)[C@@]3(C(=O)[C@H]4[C@H]([C@@H]5[C@@]3(C2=O)[C@@H]6[C@H]([C@H]5C47C(=C(C8=C(C7=O)C=C(C=C8O)OC)O)C6=O)O)O)O
InChI: InChI=1S/C30H22O13/c1-42-7-3-9-13(11(31)5-7)20(33)17-23(36)18-21(34)15-16-22(35)19(28(15,17)24(9)37)27(40)30(41)26(39)14-10(25(38)29(16,18)30)4-8(43-2)6-12(14)32/h3-6,15-16,18-19,21-22,31-35,41H,1-2H3/t15-,16+,18+,19+,21-,22-,28?,29-,30-/m0/s1
SMILES: C1=C(C(=N)N=C2N1[C@@H]3[C@H](O2)[C@H]([C@@H](O3)CO)O)F
InChI: InChI=1S/C9H10FN3O4/c10-3-1-13-8-6(5(15)4(2-14)16-8)17-9(13)12-7(3)11/h1,4-6,8,11,14-15H,2H2/t4-,5-,6+,8-/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)CCCCCNC(=O)C)CN4CCOCC4
InChI: InChI=1S/C31H43N3O6/c1-22-28(20-34-16-18-38-19-17-34)39-31(40-30(22)25-9-7-24(21-35)8-10-25)26-11-13-27(14-12-26)33-29(37)6-4-3-5-15-32-23(2)36/h7-14,22,28,30-31,35H,3-6,15-21H2,1-2H3,(H,32,36)(H,33,37)/t22-,28+,30+,31+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C41H33ClFN3O7/c1-21(47)22-3-13-27(14-4-22)45-37(49)31-18-17-29-32(35(31)39(45)51)20-33-38(50)46(44-26-11-9-25(43)10-12-26)40(52)41(33,23-5-7-24(42)8-6-23)36(29)30-16-15-28(53-2)19-34(30)48/h3-17,19,31-33,35-36,44,48H,18,20H2,1-2H3/t31-,32+,33-,35-,36+,41+/m0/s1
SMILES: CCCCCC(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O[Si](CC)(CC)CC
InChI: InChI=1S/C21H36O4Si/c1-5-9-10-11-16(22)12-13-17-18-14-21(23)24-19(18)15-20(17)25-26(6-2,7-3)8-4/h12-13,17-20H,5-11,14-15H2,1-4H3/b13-12+/t17-,18-,19+,20-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C
InChI: InChI=1S/C42H56O8/c1-24(16-17-31-26(3)15-12-18-38(31,7)8)13-11-14-25(2)19-34(45)49-37-28(5)41(48)32(35-39(9,10)42(35,37)50-29(6)44)21-30(23-43)22-40(47)33(41)20-27(4)36(40)46/h11,13-14,16-17,19-21,28,32-33,35,37,43,47-48H,12,15,18,22-23H2,1-10H3/t28-,32+,33-,35-,37-,40-,41-,42-/m1/s1
SMILES: C[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C
InChI: InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13?,14-,15-,16-,17+/m0/s1
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO
InChI: InChI=1S/C24H32O6/c1-4-20(29)30-24(19(28)13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)21(16)18(27)12-23(17,24)3/h7,9,11,16-18,21,25,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,21+,22-,23-,24-/m0/s1
SMILES: CCCCCCN(C[C@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C)O)C(=O)C(CC)CCCC
InChI: InChI=1S/C34H59NO3/c1-6-9-11-12-22-35(31(37)25(8-3)13-10-7-2)24-34(38)21-20-32(4)26(23-34)14-15-27-28-16-17-30(36)33(28,5)19-18-29(27)32/h25-29,38H,6-24H2,1-5H3/t25?,26-,27-,28-,29-,32-,33-,34+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](O2)C(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C14H16O4/c1-14(2)16-8-10(18-14)12-13(17-12)11(15)9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3/t10-,12-,13-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1OC)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)Cl)OC(=O)N(C)C
InChI: InChI=1S/C27H38ClNO5Si/c1-19-24(34-26(30)29(5)6)23(28)22(33-25(19)31-7)18-32-35(27(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-25H,18H2,1-7H3/t19-,22-,23+,24+,25+/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC)N(C)C)O)CC=O)C)\C)CO
InChI: InChI=1S/C32H53NO10/c1-9-26-23(17-35)14-18(2)10-11-24(36)19(3)15-22(12-13-34)30(20(4)25(37)16-27(38)42-26)43-32-29(39)28(33(6)7)31(40-8)21(5)41-32/h10-11,13-14,19-23,25-26,28-32,35,37,39H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22+,23-,25-,26-,28-,29-,30-,31-,32+/m1/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)SC5=NC=CC=N5
InChI: InChI=1S/C22H17N3O2S2/c26-29(27,16-9-2-1-3-10-16)25-20-17-11-4-7-15-8-5-12-18(19(15)17)21(20)28-22-23-13-6-14-24-22/h1-14,20-21,25H/t20-,21-/m0/s1
SMILES: CCO[C@H]1CC2=CC=CC=C2[C@H]1NC3=C(N=C(N(C3=O)C)C4=C(C=C(C=C4)OC)C)C
InChI: InChI=1S/C25H29N3O3/c1-6-31-21-14-17-9-7-8-10-20(17)23(21)27-22-16(3)26-24(28(4)25(22)29)19-12-11-18(30-5)13-15(19)2/h7-13,21,23,27H,6,14H2,1-5H3/t21-,23+/m0/s1
SMILES: CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C20H21N3O5/c1-12-5-4-8-16-21-13(9-17(24)23(12)16)11-28-18(25)10-22-19(26)14-6-2-3-7-15(14)20(22)27/h4-5,8-9,14-15H,2-3,6-7,10-11H2,1H3/t14-,15+
SMILES: COC(=O)C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H32O8/c1-34-25(31)17-24-26(35-18-21-11-5-2-6-12-21)27(36-19-22-13-7-3-8-14-22)28(29(38-24)30(32)33)37-20-23-15-9-4-10-16-23/h2-16,24,26-29H,17-20H2,1H3,(H,32,33)/t24-,26-,27+,28-,29-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)I)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C26H15IN2O7/c27-14-7-5-13(6-8-14)21-19-20(26(36-21)22(30)17-3-1-2-4-18(17)23(26)31)25(33)28(24(19)32)15-9-11-16(12-10-15)29(34)35/h1-12,19-21H/t19-,20+,21+/m1/s1
SMILES: C1CC[C@@]2(CN(C(=O)C2(Cl)Cl)NC(=O)C3=CC=CC=C3)[C@H](C1)Cl
InChI: InChI=1S/C16H17Cl3N2O2/c17-12-8-4-5-9-15(12)10-21(14(23)16(15,18)19)20-13(22)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,20,22)/t12-,15+/m0/s1
SMILES: COC1=CC=CC=C1CN2C(=O)[C@H]3[C@@H](N[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)N
InChI: InChI=1S/C24H24N4O5/c1-33-17-9-5-2-6-13(17)12-28-21(30)19-16(10-11-18(25)29)27-24(20(19)22(28)31)14-7-3-4-8-15(14)26-23(24)32/h2-9,16,19-20,27H,10-12H2,1H3,(H2,25,29)(H,26,32)/t16-,19-,20-,24-/m0/s1
SMILES: CCC1=CC=C(C=C1)CC2=C3C(=CC(=CC3=NN2)C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C23H28N2O6/c1-3-13-4-6-14(7-5-13)10-16-19-15(24-25-16)8-12(2)9-17(19)30-23-22(29)21(28)20(27)18(11-26)31-23/h4-9,18,20-23,26-29H,3,10-11H2,1-2H3,(H,24,25)/t18-,20-,21+,22-,23?/m1/s1
SMILES: CC1([C@H]2[C@H]([C@@H]3[C@H]2OC4=NC5=C(C=CC(=C5OC)OC)C(=C34)OC)C6=C(O1)C7=CC=CC=C7NC6=O)C
InChI: InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC6=CC=CC=C65)O)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl
InChI: InChI=1S/C32H19Cl2F5N2O7/c1-48-30(47)41-26(43)14-8-7-13-15(17(14)27(41)44)10-31(33)28(45)40(25-23(38)21(36)20(35)22(37)24(25)39)29(46)32(31,34)19(13)18-12-5-3-2-4-11(12)6-9-16(18)42/h2-7,9,14-15,17,19,42H,8,10H2,1H3/t14-,15+,17-,19+,31+,32-/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(CC(=O)C3C2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18?,19?,22?,23+,24+,25+/m1/s1
SMILES: CC1([C@@H]([C@@H](C2=C3C(=C(C=C2O1)OC)C(=O)C4=CC5=CC=CC=C5C=C4N3C)OC(=O)CCC=C)OC(=O)CCC=C)C
InChI: InChI=1S/C34H35NO7/c1-7-9-15-26(36)40-32-29-25(42-34(3,4)33(32)41-27(37)16-10-8-2)19-24(39-6)28-30(29)35(5)23-18-21-14-12-11-13-20(21)17-22(23)31(28)38/h7-8,11-14,17-19,32-33H,1-2,9-10,15-16H2,3-6H3/t32-,33-/m1/s1
SMILES: C1[C@@H]2[C@H]3C2(CN1C3)C4=NSN=C4SCC#CC5=CC=C(C=C5)Cl
InChI: InChI=1S/C17H14ClN3S2/c18-12-5-3-11(4-6-12)2-1-7-22-16-15(19-23-20-16)17-10-21-8-13(17)14(17)9-21/h3-6,13-14H,7-10H2/t13-,14+,17?
SMILES: CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3([C@@H](CC2C1(C)C)OC(=O)C)C)O5)C6=COC=C6)C)C
InChI: InChI=1S/C30H40O8/c1-16(31)35-21-9-11-27(5)19-8-12-28(6)23(18-10-13-34-15-18)37-25(33)24-30(28,38-24)29(19,7)22(36-17(2)32)14-20(27)26(21,3)4/h10,13,15,19-24H,8-9,11-12,14H2,1-7H3/t19?,20?,21-,22+,23-,24+,27+,28-,29-,30+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4
InChI: InChI=1S/C24H28N2O3S/c27-22(13-15-26-23(28)20-10-4-5-11-21(20)24(26)29)25(17-19-9-6-16-30-19)14-12-18-7-2-1-3-8-18/h1-3,6-9,16,20-21H,4-5,10-15,17H2/t20-,21-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)C(C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC5=CC=CC=C5N=C4)C)C)C(=C)CO2)C
InChI: InChI=1S/C44H59FN2O9/c1-12-34-44(9)35(26(3)24-53-44)28(5)36(48)25(2)22-42(7,52-19-15-16-30-21-31-17-13-14-18-32(31)46-23-30)39(29(6)38(50)43(8,45)41(51)55-34)56-40-37(49)33(47(10)11)20-27(4)54-40/h13-14,17-18,21,23,25,27-29,33-35,37,39-40,49H,3,12,19-20,22,24H2,1-2,4-11H3/t25?,27-,28?,29+,33+,34-,35+,37-,39-,40+,42-,43?,44-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C23H33N3O4/c1-16-7-6-10-20(17(16)2)25-21(27)15-30-22(28)18-11-13-26(14-12-18)23(29)24-19-8-4-3-5-9-19/h3-5,8-9,16-18,20H,6-7,10-15H2,1-2H3,(H,24,29)(H,25,27)/t16-,17-,20-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@@]1(C4=CC(=O)O[C@@]([C@@]4(CC3)C)(C5=COC=C5)O)C)([C@@H]6[C@@H](O6)C(=O)C2(C)C)C
InChI: InChI=1S/C28H34O8/c1-14(29)34-19-11-17-24(2,3)22(31)21-23(35-21)27(17,6)16-7-9-25(4)18(26(16,19)5)12-20(30)36-28(25,32)15-8-10-33-13-15/h8,10,12-13,16-17,19,21,23,32H,7,9,11H2,1-6H3/t16-,17-,19+,21-,23-,25+,26+,27+,28+/m0/s1
SMILES: C1CC1C(=O)[C@@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18N4O3/c25-13-24(14-26)20-11-10-15-4-1-2-7-19(15)27(20)22(23(29)16-8-9-16)21(24)17-5-3-6-18(12-17)28(30)31/h1-7,10-12,16,20-22H,8-9H2/t20-,21+,22+/m1/s1
SMILES: COC1=C(C=C(C=C1)Br)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C20H18BrNO3/c1-25-18-8-6-12(21)10-16(18)19-14-4-2-3-13(14)15-9-11(20(23)24)5-7-17(15)22-19/h2-3,5-10,13-14,19,22H,4H2,1H3,(H,23,24)/t13-,14+,19-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)NC3=CC=CC=C3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC6=CC=CC=C6S5)C
InChI: InChI=1S/C42H50N2O5S/c1-29-11-9-21-41(2)36(20-22-42(41,48)28-44(23-10-24-49-3)40(47)43-32-13-5-4-6-14-32)34-19-17-30(25-33(45)18-16-29)26-35(34)39(46)38-27-31-12-7-8-15-37(31)50-38/h4-8,11-15,17,19,26-27,33,36,45,48H,9-10,16,18,20-25,28H2,1-3H3,(H,43,47)/t33-,36-,41-,42+/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H](C[C@@]([C@@H]([C@@H]1C2=CC(=CC=C2)Br)C(=O)C3=CC=CC4=CC=CC=C43)(C5=CC=CC6=CC=CC=C65)O)C7=CC(=CC=C7)Br)C#N
InChI: InChI=1S/C43H33Br2NO4/c1-2-50-41(48)42(26-46)37(29-15-7-17-31(44)23-29)25-43(49,36-22-10-14-28-12-4-6-20-34(28)36)39(38(42)30-16-8-18-32(45)24-30)40(47)35-21-9-13-27-11-3-5-19-33(27)35/h3-24,37-39,49H,2,25H2,1H3/t37-,38+,39+,42-,43+/m1/s1
SMILES: C[C@H]1CC2=C(C[C@H]1C[NH+]3CC[NH+](CC3)C)C(CCC2)(C)C
InChI: InChI=1S/C19H34N2/c1-15-12-16-6-5-7-19(2,3)18(16)13-17(15)14-21-10-8-20(4)9-11-21/h15,17H,5-14H2,1-4H3/p+2/t15-,17-/m0/s1
SMILES: CC(=O)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)OC)C)OC(=O)C
InChI: InChI=1S/C22H28O5/c1-13(23)16-11-15-7-8-19-21(3,17(15)12-18(16)27-14(2)24)9-6-10-22(19,4)20(25)26-5/h11-12,19H,6-10H2,1-5H3/t19-,21-,22+/m1/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl
InChI: InChI=1S/C15H13ClFNO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)9-3-5-13(17)12(16)7-9/h2-3,5,7,10-11H,4,6H2,1H3/t10-,11+/m0/s1
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C21H25NO7/c1-27-20(25)14-5-6-16(21(26)28-2)17(9-14)22-18(23)11-29-19(24)10-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,22,23)/t12-,13-,15-/m0/s1
SMILES: C/C=C/[C@@H]([C@@H](/C=C/C(=O)OC[C@@H]1COC(=O)[C@H]1O)O)O
InChI: InChI=1S/C13H18O7/c1-2-3-9(14)10(15)4-5-11(16)19-6-8-7-20-13(18)12(8)17/h2-5,8-10,12,14-15,17H,6-7H2,1H3/b3-2+,5-4+/t8-,9+,10-,12+/m1/s1
SMILES: C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)NCCCl)O
InChI: InChI=1S/C12H23ClN2O6S/c1-5(16)6(15-12(20)14-4-3-13)10-8(18)7(17)9(19)11(21-10)22-2/h5-11,16-19H,3-4H2,1-2H3,(H2,14,15,20)/t5-,6-,7+,8-,9-,10-,11-/m1/s1
SMILES: C1CC=C2[C@H](C1)[C@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H15ClN4/c20-13-7-5-12(6-8-13)17-15-4-2-1-3-14(15)16(9-21)18(24)19(17,10-22)11-23/h3,5-8,15-17,24H,1-2,4H2/t15-,16-,17+/m0/s1
SMILES: COC1([C@]2([C@H]3[C@@H]([C@@]1(C(=C2Br)Br)Br)OC(=O)O3)Br)OC
InChI: InChI=1S/C10H8Br4O5/c1-16-10(17-2)8(13)3(11)4(12)9(10,14)6-5(8)18-7(15)19-6/h5-6H,1-2H3/t5-,6+,8+,9-
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C23[C@H]([C@@H](O1)N4C(=CC(=O)NC4=O)NC2=CS(=O)(=O)O3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H39N3O8SSi2/c1-21(2,3)36(7,8)31-12-15-23-14(13-35(29,30)34-23)24-16-11-17(27)25-20(28)26(16)19(32-15)18(23)33-37(9,10)22(4,5)6/h11,13,15,18-19,24H,12H2,1-10H3,(H,25,27,28)/t15-,18+,19-,23?/m1/s1
SMILES: C/C/1=C/[C@H]2[C@]3([C@@H]([C@@H]4[C@](C=C[C@H]([C@]4(C)O)OC(=O)C)([C@H](CC1)OC(=O)C)C)OC(=O)C)[C@@](O3)(C(=O)O2)C
InChI: InChI=1S/C26H34O10/c1-13-8-9-17(32-14(2)27)23(5)11-10-18(33-15(3)28)24(6,31)20(23)21(34-16(4)29)26-19(12-13)35-22(30)25(26,7)36-26/h10-12,17-21,31H,8-9H2,1-7H3/b13-12-/t17-,18+,19-,20+,21+,23+,24-,25-,26-/m0/s1
SMILES: CCCC[C@@]1([C@@H](CCC1=O)N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI: InChI=1S/C25H29NO4/c1-3-4-17-25(29-2)20(15-16-21(25)27)26-22(18-11-7-5-8-12-18)23(30-24(26)28)19-13-9-6-10-14-19/h5-14,20,22-23H,3-4,15-17H2,1-2H3/t20-,22-,23+,25+/m1/s1
SMILES: C[C@@H]1[C@@H](N(C2=C(N1C(=O)C)C=CC(=C2)[N+](=O)[O-])C(=O)C)C
InChI: InChI=1S/C14H17N3O4/c1-8-9(2)16(11(4)19)14-7-12(17(20)21)5-6-13(14)15(8)10(3)18/h5-9H,1-4H3/t8-,9+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C14H16N2O5/c17-13(11-3-1-2-4-12(11)14(18)19)15-9-5-7-10(8-6-9)16(20)21/h5-8,11-12H,1-4H2,(H,15,17)(H,18,19)/t11-,12-/m1/s1