EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCC[C@]3([C@@H]1C([C@@H]4[C@]5(C2=CC(=O)OC5O)O4)OC3=O)C
InChI: InChI=1S/C16H18O6/c1-14-4-3-5-15(2)10(14)9(21-12(15)18)11-16(22-11)7(14)6-8(17)20-13(16)19/h6,9-11,13,19H,3-5H2,1-2H3/t9?,10-,11-,13?,14-,15+,16+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)NC[C@@H](C5=CC=CC=C5)O)C6=C(C=CC(=C6)C#CCCO)N(C4=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)OCCO)C9=CC=CC=C9
InChI: InChI=1S/C55H48N4O12/c60-29-11-10-12-35-21-28-44-43(32-35)55(53(65)57(44)54(66)70-34-36-19-24-41(25-20-36)59(67)68)46(51(63)56-33-45(62)37-13-4-1-5-14-37)48-52(64)71-49(39-17-8-3-9-18-39)47(38-15-6-2-7-16-38)58(48)50(55)40-22-26-42(27-23-40)69-31-30-61/h1-9,13-28,32,45-50,60-62H,11,29-31,33-34H2,(H,56,63)/t45-,46+,47+,48+,49-,50-,55+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)N)C5=CC=CC=C5NC4=O)C6=CC(=CC=C6)OCCO)C7=CC=CC=C7
InChI: InChI=1S/C35H31N3O6/c36-32(40)27-29-33(41)44-30(22-12-5-2-6-13-22)28(21-10-3-1-4-11-21)38(29)31(23-14-9-15-24(20-23)43-19-18-39)35(27)25-16-7-8-17-26(25)37-34(35)42/h1-17,20,27-31,39H,18-19H2,(H2,36,40)(H,37,42)/t27-,28-,29-,30+,31+,35-/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)O)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)OC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C49H52N4O14/c1-2-23-64-49-45(51(28-32-11-19-43-44(24-32)63-30-62-43)48(57)66-37-17-14-35(15-18-37)53(60)61)27-41(50-65-29-31-9-12-34(13-10-31)52(58)59)39-25-33(7-3-5-21-54)38(8-4-6-22-55)46(47(39)49)40-26-36(56)16-20-42(40)67-49/h2,9-20,24-26,33,38,45-47,54-56H,1,3-8,21-23,27-30H2/t33-,38+,45-,46+,47+,49+/m0/s1
SMILES: CC(C)(C)CC(=O)N1CC[C@@H]2[C@H]1C(=O)N(C(=O)N2)C3=CC=CC=C3
InChI: InChI=1S/C18H23N3O3/c1-18(2,3)11-14(22)20-10-9-13-15(20)16(23)21(17(24)19-13)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3,(H,19,24)/t13-,15+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2C=C([C@@H](C[C@H]3[C@](C1=O)(CCCC3(C)C)C)O)C(=O)C2=C
InChI: InChI=1S/C22H30O5/c1-12-14-9-15(19(12)25)16(24)11-18-21(3,4)7-6-8-22(18,5)20(26)17(10-14)27-13(2)23/h9,14,16-18,24H,1,6-8,10-11H2,2-5H3/t14-,16+,17-,18+,22+/m0/s1
SMILES: CCOC(=O)N1CCC(CC1)N(C[C@@H]2C[C@H]3C[C@@H]2C=C3)C(=O)[C@@H]4CCCO4
InChI: InChI=1S/C21H32N2O4/c1-2-26-21(25)22-9-7-18(8-10-22)23(20(24)19-4-3-11-27-19)14-17-13-15-5-6-16(17)12-15/h5-6,15-19H,2-4,7-14H2,1H3/t15-,16+,17+,19+/m1/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(=O)C)(COC5=O)C)C(=O)C2=C)OC(=O)C
InChI: InChI=1S/C26H32O9/c1-12-16-9-17(33-13(2)27)20-25-8-6-7-24(5,11-32-23(25)31)18(25)10-19(34-14(3)28)26(20,21(12)30)22(16)35-15(4)29/h16-20,22H,1,6-11H2,2-5H3/t16-,17-,18+,19+,20-,22+,24-,25-,26?/m0/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C18H26N2O3S/c1-23-16-4-6-17(7-5-16)24(21,22)20-10-8-19(9-11-20)18-13-14-2-3-15(18)12-14/h4-7,14-15,18H,2-3,8-13H2,1H3/t14-,15-,18+/m0/s1
SMILES: CC(C)CC=C[C@@H](C1=CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4O)C)C)C(=O)O
InChI: InChI=1S/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/t19-,20-,21-,22+,23-,24-,26-,27-/m0/s1
SMILES: C[C@@H]([C@@H](C)OCC1=CC=CC=C1)[C@@H](CC(=O)[C@@H](C(=O)N([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OC)OC)OC)C(=O)OCC[Si](C)(C)C)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C45H73NO12Si2/c1-31(32(2)55-28-33-21-17-15-18-22-33)36(58-60(13,14)45(3,4)5)27-35(47)38(56-29-34-23-19-16-20-24-34)42(48)46(44(49)54-25-26-59(10,11)12)43-41(53-9)40(52-8)39(51-7)37(57-43)30-50-6/h15-24,31-32,36-41,43H,25-30H2,1-14H3/t31-,32+,36+,37+,38-,39+,40-,41+,43+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H](C=C1C)C=C(C)C)C(=O)[O-])C(=O)OCC[NH+](C)C
InChI: InChI=1S/C18H29NO4/c1-11(2)9-14-10-12(3)13(4)15(16(14)17(20)21)18(22)23-8-7-19(5)6/h9-10,13-16H,7-8H2,1-6H3,(H,20,21)/t13-,14+,15+,16+/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C
InChI: InChI=1S/C21H27N3O4S/c1-15-7-8-17(13-16(15)2)29(27,28)23-11-9-22(10-12-23)14-24-20(25)18-5-3-4-6-19(18)21(24)26/h3-4,7-8,13,18-19H,5-6,9-12,14H2,1-2H3/p+1/t18-,19-/m1/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C2CC2)C(=O)CC3=NOC4=CC=CC=C43)C(=O)C5=CC(=C(C=C5)OC)OCCCOC
InChI: InChI=1S/C33H44N4O6/c1-22(2)36(33(39)23-10-13-30(41-4)31(16-23)42-15-7-14-40-3)20-24-18-34-19-25(24)21-37(26-11-12-26)32(38)17-28-27-8-5-6-9-29(27)43-35-28/h5-6,8-10,13,16,22,24-26,34H,7,11-12,14-15,17-21H2,1-4H3/t24-,25-/m0/s1
SMILES: COC1=C(C=C2CN3CC[C@]4([C@@H]3C[C@H](C=C4)O)C2=C1)O
InChI: InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15-,16-/m0/s1
SMILES: C/C(=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)N4C)C)/Cl
InChI: InChI=1S/C20H30ClNO/c1-12(21)16-6-7-17-14-4-8-18-15(5-9-19(23)22(18)3)13(14)10-11-20(16,17)2/h13-15,17-18H,4-11H2,1-3H3/b16-12+/t13-,14+,15+,17-,18+,20+/m0/s1
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2CCCC)O)O
InChI: InChI=1S/C25H42O2/c1-5-7-9-10-16-25(3,4)20-13-15-22(24(27)17-20)23-18-21(26)14-12-19(23)11-8-6-2/h13,15,17,19,21,23,26-27H,5-12,14,16,18H2,1-4H3/t19-,21-,23-/m1/s1
SMILES: CC[C@H](C)[C@H]1C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]3CCN([C@@H]3C(=O)N1)C(=O)CN(C)C
InChI: InChI=1S/C23H32N4O4/c1-5-15(2)20-22(29)24-12-10-16-6-8-17(9-7-16)31-18-11-13-27(19(28)14-26(3)4)21(18)23(30)25-20/h6-10,12,15,18,20-21H,5,11,13-14H2,1-4H3,(H,24,29)(H,25,30)/b12-10-/t15-,18-,20-,21-/m0/s1
SMILES: C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C[C@@H]3[C@H]4CC5=C(CCC[C@@]5(C[C@H]4OC3=O)C)C
InChI: InChI=1S/C27H38N2O2/c1-18-7-5-9-21(13-18)29-12-11-28(16-20(29)3)17-23-22-14-24-19(2)8-6-10-27(24,4)15-25(22)31-26(23)30/h5,7,9,13,20,22-23,25H,6,8,10-12,14-17H2,1-4H3/t20-,22+,23+,25+,27+/m0/s1
SMILES: C=CCN1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2CCC4)C(=O)NC1=S
InChI: InChI=1S/C18H18N4O4S/c1-2-7-21-16(24)18(15(23)19-17(21)27)10-11-9-12(22(25)26)5-6-13(11)20-8-3-4-14(18)20/h2,5-6,9,14H,1,3-4,7-8,10H2,(H,19,23,27)/t14-,18-/m1/s1
SMILES: CCCC[Sn](CCCC)CCCC.CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C=CO[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)O)O)O)O
InChI: InChI=1S/C30H60O9Si2.3C4H9.Sn/c1-17(2)40(18(3)4,19(5)6)36-15-24-26(32)27(33)28(34)30(38-24)39-29-23(31)13-14-35-25(29)16-37-41(20(7)8,21(9)10)22(11)12;3*1-3-4-2;/h13-14,17-34H,15-16H2,1-12H3;3*1,3-4H2,2H3;/t23-,24-,25-,26+,27+,28-,29+,30+;;;;/m1..../s1
SMILES: CC(=O)OC[C@H]([C@]1(CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCCC4)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H42O6/c1-17(28)31-16-24(32-18(2)29)27(33-19(3)30)15-12-23-21-10-9-20-8-6-7-13-25(20,4)22(21)11-14-26(23,27)5/h20-24H,6-16H2,1-5H3/t20-,21?,22?,23?,24-,25+,26+,27+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3(CC[C@@H]([C@]([C@H]3[C@H]4[C@@](C2(C)C)(CC1=O)OC(=O)O4)(CO[Si](C)(C)C(C)(C)C)O)O)C)OC(=O)C
InChI: InChI=1S/C29H44O10Si/c1-15-17(31)13-29-23(38-24(34)39-29)21-27(8,22(33)20(37-16(2)30)19(15)26(29,6)7)12-11-18(32)28(21,35)14-36-40(9,10)25(3,4)5/h18,20-21,23,32,35H,11-14H2,1-10H3/t18-,20+,21-,23-,27+,28-,29+/m0/s1
SMILES: C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CCCO)NC4=O)C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C46H47N3O7/c50-26-13-10-15-31-22-23-37-36(29-31)46(45(54)47-37)38(43(52)48-24-11-2-1-3-12-25-48)40-44(53)56-41(33-18-8-5-9-19-33)39(32-16-6-4-7-17-32)49(40)42(46)34-20-14-21-35(30-34)55-28-27-51/h4-9,14,16-23,29-30,38-42,50-51H,1-3,11-13,24-28H2,(H,47,54)/t38-,39-,40-,41+,42+,46-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N4[C@@H]5C[C@H](O4)C=C5)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H24N6O8/c1-9(28)31-7-14-16(32-10(2)29)17(33-11(3)30)20(34-14)26-8-23-15-18(22)24-21(25-19(15)26)27-12-4-5-13(6-12)35-27/h4-5,8,12-14,16-17,20H,6-7H2,1-3H3,(H2,22,24,25)/t12-,13+,14+,16+,17+,20+/m0/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)CCCC(=O)O)N2C3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H17ClN2O5S2/c17-10-4-6-11(7-5-10)19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)2-1-3-15(21)22/h4-7,12-13H,1-3,8-9H2,(H,21,22)/t12-,13+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23C[C@@H](CN2[C@H]([C@H]([C@H]1C3)O)CC4=CC=C(C=C4)OC)N(C)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C34H50N2O5Si/c1-33(2,3)42(6,7)41-30-17-18-34-20-26(35(4)32(38)40-23-25-11-9-8-10-12-25)22-36(34)29(31(37)28(30)21-34)19-24-13-15-27(39-5)16-14-24/h8-16,26,28-31,37H,17-23H2,1-7H3/t26-,28-,29-,30-,31-,34+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C39H73NO12/c1-15-28-39(12,46)32(42)22(5)16-21(4)18-37(10,45)34(52-36-30(41)27(17-23(6)48-36)40(13)20(2)3)24(7)31(25(8)35(44)50-28)51-29-19-38(11,47-14)33(43)26(9)49-29/h20-34,36,41-43,45-46H,15-19H2,1-14H3/t21-,22-,23+,24-,25+,26-,27-,28+,29-,30+,31-,32+,33-,34+,36-,37+,38+,39+/m0/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C19H18N2O5/c1-19(18(24)25-2)14-13(15(20-19)12-9-6-10-26-12)16(22)21(17(14)23)11-7-4-3-5-8-11/h3-10,13-15,20H,1-2H3/t13-,14+,15-,19-/m0/s1
SMILES: CCOC(=O)/C(=C/[C@H]1C=C([C@H](C[C@]1(C(=O)OC)O)C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C
InChI: InChI=1S/C32H42O6Si/c1-8-37-29(33)23(2)19-26-20-25(24(3)21-32(26,35)30(34)36-7)22-38-39(31(4,5)6,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-20,24,26,35H,8,21-22H2,1-7H3/b23-19+/t24-,26-,32-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CN2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC=C(C=C4)OCC=C)O
InChI: InChI=1S/C27H34N2O4/c1-3-18-33-23-11-7-20(8-12-23)26-24-6-4-5-15-27(24,31)16-17-29(26)19-25(30)28-21-9-13-22(32-2)14-10-21/h3,7-14,24,26,31H,1,4-6,15-19H2,2H3,(H,28,30)/t24-,26-,27-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CC[C@@]2([C@H]3[C@@]14CO[C@@](O4)(O[C@@H]3[C@@H]5CC(=O)C(=C(C5(C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H50O9Si/c1-11-42(12-2,13-3)40-23-14-15-30(9)27-25(39-31(10)36-17-32(23,27)41-31)21-16-22(35)18(4)24(29(21,7)8)26(37-19(5)33)28(30)38-20(6)34/h21,23,25-28H,11-17H2,1-10H3/t21-,23-,25+,26+,27-,28-,30+,31+,32+/m0/s1
SMILES: CCCOC(=O)CSC1=C([C@@H]([C@H](C(=O)N1)C#N)C2=CC=CC=C2OCC)C#N
InChI: InChI=1S/C20H21N3O4S/c1-3-9-27-17(24)12-28-20-15(11-22)18(14(10-21)19(25)23-20)13-7-5-6-8-16(13)26-4-2/h5-8,14,18H,3-4,9,12H2,1-2H3,(H,23,25)/t14-,18-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)CCl)O)O
InChI: InChI=1S/C10H17ClO5S/c1-3-17-10-8(14)7(13)9(5(2)15-10)16-6(12)4-11/h5,7-10,13-14H,3-4H2,1-2H3/t5-,7-,8+,9-,10-/m0/s1
SMILES: CC(C)C(=O)OCC[C@H]1[C@@H](C=C([C@H]1COC(=O)C(C)C)COC(=O)C(C)C)O
InChI: InChI=1S/C21H34O7/c1-12(2)19(23)26-8-7-16-17(11-28-21(25)14(5)6)15(9-18(16)22)10-27-20(24)13(3)4/h9,12-14,16-18,22H,7-8,10-11H2,1-6H3/t16-,17-,18-/m1/s1
SMILES: CC[NH+]1CC=C2[C@H](C1)[C@@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3F
InChI: InChI=1S/C20H18FN5/c1-2-26-8-7-16-15(10-26)18(13-5-3-4-6-17(13)21)14(9-22)19(25)20(16,11-23)12-24/h3-7,14-15,18,25H,2,8,10H2,1H3/p+1/t14-,15+,18-/m1/s1
SMILES: CC(=O)[C@@H]1C[C@]23C=C[C@]1([C@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)C)OC(=O)C
InChI: InChI=1S/C25H30O4/c1-15(26)22-14-24-11-12-25(22,29-16(2)27)23(24,3)10-9-20-19-7-6-18(28-4)13-17(19)5-8-21(20)24/h6-7,11-13,20-22H,5,8-10,14H2,1-4H3/t20-,21-,22+,23+,24+,25+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C21H26N2O6/c1-14-5-3-4-6-17(14)22-21(27)23-18(24)13-29-19(25)12-9-15-7-10-16(11-8-15)20(26)28-2/h7-12,14,17H,3-6,13H2,1-2H3,(H2,22,23,24,27)/b12-9+/t14-,17+/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)COCC2=CC=CC=C2)CC3(SCCCS3)CC4=CC5=C(C=C4)OCO5)C
InChI: InChI=1S/C26H32O5S2/c1-25(2)30-23(24(31-25)17-27-16-19-7-4-3-5-8-19)15-26(32-11-6-12-33-26)14-20-9-10-21-22(13-20)29-18-28-21/h3-5,7-10,13,23-24H,6,11-12,14-18H2,1-2H3/t23-,24-/m1/s1
SMILES: CCOC1=CC2=C(C[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@]4(C(=O)CF)OC(=O)C)C)CN(C)C
InChI: InChI=1S/C28H42FNO4/c1-7-33-20-8-11-26(3)22-9-12-27(4)23(10-13-28(27,25(32)16-29)34-18(2)31)21(22)14-19(17-30(5)6)24(26)15-20/h15,21-23H,7-14,16-17H2,1-6H3/t21-,22+,23+,26-,27+,28+/m1/s1
SMILES: CC[NH+](CC)CC.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OP(=O)([O-])OCC4C5=CC=CC=C5C6=CC=CC=C46)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C43H40NO11P.C6H15N/c1-28(45)44-38-40(54-42(47)31-19-9-4-10-20-31)39(55-56(48,49)52-26-36-34-23-13-11-21-32(34)33-22-12-14-24-35(33)36)37(27-50-41(46)30-17-7-3-8-18-30)53-43(38)51-25-29-15-5-2-6-16-29;1-4-7(5-2)6-3/h2-24,36-40,43H,25-27H2,1H3,(H,44,45)(H,48,49);4-6H2,1-3H3/t37-,38-,39-,40-,43+;/m1./s1
SMILES: CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC=C)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
InChI: InChI=1S/C35H36O4/c1-4-5-26-37-35(29-22-14-8-15-23-29,30-24-16-9-17-25-30)32-31(38-33(2,3)39-32)34(36,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h4,6-25,31-32,36H,1,5,26H2,2-3H3/t31-,32-/m1/s1
SMILES: CC(=O)OC1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=C[C@H](C=C[C@]34C)OC(=O)C(C)(C)C)O)C
InChI: InChI=1S/C26H36O6/c1-14(27)31-22-20(29)13-18-21-17(8-10-26(18,22)6)25(5)9-7-16(11-15(25)12-19(21)28)32-23(30)24(2,3)4/h7,9,11,16-19,21-22,28H,8,10,12-13H2,1-6H3/t16-,17-,18-,19-,21+,22?,25-,26-/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C21H26N2O2S/c24-26(25,20-8-7-17-3-1-2-4-18(17)15-20)23-11-9-22(10-12-23)21-14-16-5-6-19(21)13-16/h1-4,7-8,15-16,19,21H,5-6,9-14H2/t16-,19-,21-/m0/s1
SMILES: CCNC(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C13H19N7O4/c1-2-15-13(23)16-3-6-8(21)9(22)12(24-6)20-5-19-7-10(14)17-4-18-11(7)20/h4-6,8-9,12,21-22H,2-3H2,1H3,(H2,14,17,18)(H2,15,16,23)/t6-,8-,9-,12-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@H](C)OC(=O)C)CN4[C@@H]5CCCC[C@@H]5CC[C@@H]4C(=O)NC(C)(C)C
InChI: InChI=1S/C38H53N3O7/c1-23-33(21-41-31-13-8-7-10-27(31)18-19-32(41)36(45)40-38(4,5)6)47-37(48-34(23)28-16-14-26(22-42)15-17-28)29-11-9-12-30(20-29)39-35(44)24(2)46-25(3)43/h9,11-12,14-17,20,23-24,27,31-34,37,42H,7-8,10,13,18-19,21-22H2,1-6H3,(H,39,44)(H,40,45)/t23-,24-,27+,31+,32+,33+,34+,37+/m0/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=NC=C3
InChI: InChI=1S/C20H20N6/c1-13(2)26-8-5-15-16(9-21)19(24)20(11-22,12-23)18(17(15)10-26)14-3-6-25-7-4-14/h3-7,13,16-18,24H,8,10H2,1-2H3/t16?,17-,18+/m0/s1
SMILES: CCNC(=O)CNC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C16H21N3O6/c1-2-17-12(20)7-18-13(21)9-25-14(22)8-19-15(23)10-5-3-4-6-11(10)16(19)24/h3-4,10-11H,2,5-9H2,1H3,(H,17,20)(H,18,21)/t10-,11+
SMILES: CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C24H21NO5/c1-13(26)18-4-2-3-5-19(18)30-24(29)14-8-10-17(11-9-14)25-22(27)20-15-6-7-16(12-15)21(20)23(25)28/h2-5,8-11,15-16,20-21H,6-7,12H2,1H3/t15-,16-,20-,21-/m0/s1
SMILES: CC[S@](=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N
InChI: InChI=1S/C29H29NO8S/c1-2-39(34)29-23(30)25(38-28(33)21-16-10-5-11-17-21)24(37-27(32)20-14-8-4-9-15-20)22(36-29)18-35-26(31)19-12-6-3-7-13-19/h3-17,22-25,29H,2,18,30H2,1H3/t22-,23-,24-,25-,29+,39+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)O)C)O)OC(=O)C
InChI: InChI=1S/C26H38O8/c1-12-18(30)9-10-26(8)21(12)22(33-15(4)28)17-11-19(32-14(3)27)13(2)20(25(17,6)7)23(24(26)31)34-16(5)29/h17-19,21-24,30-31H,1,9-11H2,2-8H3/t17-,18-,19-,21-,22+,23+,24-,26+/m0/s1
SMILES: CC(C)OC(=O)NCCC(C)(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=CC(=C4)N
InChI: InChI=1S/C33H48N4O9S/c1-22(2)45-31(39)35-15-14-33(3,4)21-37(47(41,42)25-12-8-11-24(34)18-25)19-28(38)27(17-23-9-6-5-7-10-23)36-32(40)46-29-20-44-30-26(29)13-16-43-30/h5-12,18,22,26-30,38H,13-17,19-21,34H2,1-4H3,(H,35,39)(H,36,40)/t26-,27-,28+,29-,30+/m0/s1
SMILES: C1[C@H]([C@]2(C[C@@]1([C@H]2OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)CN
InChI: InChI=1S/C29H33NO3/c30-17-26-16-28(22-31-18-23-10-4-1-5-11-23)21-29(26,33-20-25-14-8-3-9-15-25)27(28)32-19-24-12-6-2-7-13-24/h1-15,26-27H,16-22,30H2/t26-,27+,28+,29-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]
InChI: InChI=1S/C20H27N10O16P3/c1-9-5-29(19(33)23-17(9)31)15-3-11(25-27-21)13(43-15)7-41-47(35,36)45-49(39,40)46-48(37,38)42-8-14-12(26-28-22)4-16(44-14)30-6-10(2)18(32)24-20(30)34/h5-6,11-16H,3-4,7-8H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,23,31,33)(H,24,32,34)/t11-,12-,13+,14+,15-,16-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC(C)C
InChI: InChI=1S/C22H31N3O2S/c1-13(2)23-20(26)16(5)28-22-24-18-11-7-6-10-17(18)21(27)25(22)19-12-8-9-14(3)15(19)4/h6-7,10-11,13-16,19H,8-9,12H2,1-5H3,(H,23,26)/t14-,15+,16-,19+/m0/s1
SMILES: CC[NH+]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H18ClN5/c1-2-26-8-7-15-16(9-22)19(25)20(11-23,12-24)18(17(15)10-26)13-3-5-14(21)6-4-13/h3-7,16-18,25H,2,8,10H2,1H3/p+1/t16?,17-,18-/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC=C5OC
InChI: InChI=1S/C23H20N2O4/c1-13(26)20-18-19(21-15-8-4-3-7-14(15)11-12-24(20)21)23(28)25(22(18)27)16-9-5-6-10-17(16)29-2/h3-12,18-21H,1-2H3/t18-,19+,20-,21-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)C=O)O)O)C)C)(C)C(=O)O
InChI: InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4
InChI: InChI=1S/C24H27N3O3/c1-17-9-7-8-14-24(17)22(29)27(23(30)26-24)16-21(28)25-20-13-6-5-12-19(20)15-18-10-3-2-4-11-18/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,25,28)(H,26,30)/t17-,24-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2CCCC[C@H]2NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)O)O
InChI: InChI=1S/C21H23Cl2NO4/c1-28-19-11-12(7-9-18(19)25)14-4-2-3-5-17(14)24-21(27)20(26)13-6-8-15(22)16(23)10-13/h6-11,14,17,20,25-26H,2-5H2,1H3,(H,24,27)/t14-,17+,20?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)C4=CC(=C(C=C4)C)Cl
InChI: InChI=1S/C23H27ClN2O3S/c1-15-3-9-20(10-4-15)30(28,29)26(19-8-5-16(2)21(24)13-19)14-23(27)25-22-12-17-6-7-18(22)11-17/h3-5,8-10,13,17-18,22H,6-7,11-12,14H2,1-2H3,(H,25,27)/t17-,18+,22-/m1/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3([C@H]1C(=O)N(C3)C4=CC=CC=C4Br)O2
InChI: InChI=1S/C18H18BrNO4/c1-10(2)23-17(22)14-13-7-8-18(24-13)9-20(16(21)15(14)18)12-6-4-3-5-11(12)19/h3-8,10,13-15H,9H2,1-2H3/t13-,14+,15+,18-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@H](O[C@H]2O)C(=O)OC)N=[N+]=[N-]
InChI: InChI=1S/C13H15N3O7S/c1-7-3-5-8(6-4-7)24(19,20)23-11-9(15-16-14)10(12(17)21-2)22-13(11)18/h3-6,9-11,13,18H,1-2H3/t9-,10-,11+,13+/m0/s1
SMILES: C1[C@H]([C@@H]1C(=O)N/N=C\C2=CC=C(O2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C21H17ClN2O2/c22-16-8-4-7-15(11-16)20-10-9-17(26-20)13-23-24-21(25)19-12-18(19)14-5-2-1-3-6-14/h1-11,13,18-19H,12H2,(H,24,25)/b23-13-/t18-,19+/m0/s1
SMILES: CCC1/C=C(/C[C@@H](CC([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H](C(CC1=O)O)C)C(=C[C@@H]4CC[C@@H]([C@@H](C4)OC)OC(=O)NNC(=O)N)C)O)C)OC)OC)C)\C
InChI: InChI=1S/C45H72N4O14/c1-10-30-18-24(2)17-25(3)19-36(59-8)39-37(60-9)21-27(5)45(57,63-39)40(52)41(53)49-16-12-11-13-31(49)42(54)62-38(28(6)32(50)23-33(30)51)26(4)20-29-14-15-34(35(22-29)58-7)61-44(56)48-47-43(46)55/h18,20,25,27-32,34-39,50,57H,10-17,19,21-23H2,1-9H3,(H,48,56)(H3,46,47,55)/b24-18+,26-20?/t25-,27+,28+,29-,30?,31-,32?,34-,35+,36?,37-,38+,39+,45+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)O
InChI: InChI=1S/C41H26Cl2F5N3O7/c1-2-57-26-15-18(9-14-24(26)52)28-20-12-13-21-27(37(54)50(36(21)53)19-10-7-17(8-11-19)35-49-23-5-3-4-6-25(23)58-35)22(20)16-40(42)38(55)51(39(56)41(28,40)43)34-32(47)30(45)29(44)31(46)33(34)48/h3-12,14-15,21-22,27-28,52H,2,13,16H2,1H3/t21-,22+,27-,28-,40+,41-/m0/s1
SMILES: COC1=CC=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O)O
InChI: InChI=1S/C42H33NO8/c1-51-33-17-9-16-32(44)36(33)37-27-18-19-28-35(40(48)43(39(28)47)26-15-8-12-24(20-26)41(49)50)30(27)21-31-38(46)29(23-10-4-2-5-11-23)22-34(45)42(31,37)25-13-6-3-7-14-25/h2-18,20,22,28,30-31,35,37,44H,19,21H2,1H3,(H,49,50)/t28-,30+,31-,35-,37+,42-/m0/s1
SMILES: CCCN1C(=O)[C@@H]2[C@@H](CCN2S(=O)(=O)C)N(C1=O)CC3=CC=CS3
InChI: InChI=1S/C15H21N3O4S2/c1-3-7-16-14(19)13-12(6-8-18(13)24(2,21)22)17(15(16)20)10-11-5-4-9-23-11/h4-5,9,12-13H,3,6-8,10H2,1-2H3/t12-,13+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N=C(O2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)CO
InChI: InChI=1S/C28H24NO2P/c30-20-25-27(21-12-4-1-5-13-21)31-28(29-25)24-18-10-11-19-26(24)32(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,25,27,30H,20H2/t25-,27-/m1/s1
SMILES: C1CN2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC(=CC=C4)N)C(=O)NC5=CC(=CC=C5)O
InChI: InChI=1S/C23H26N6O2/c24-17-4-1-3-16(9-17)22-14-29(27-26-22)12-19-10-15-7-8-28(19)13-21(15)23(31)25-18-5-2-6-20(30)11-18/h1-6,9,11,14-15,19,21,30H,7-8,10,12-13,24H2,(H,25,31)/t15-,19+,21-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC)C
InChI: InChI=1S/C26H24N2O4/c1-16-12-13-20(14-17(16)2)27-25(29)22-23(18-8-7-11-21(15-18)31-3)28(32-24(22)26(27)30)19-9-5-4-6-10-19/h4-15,22-24H,1-3H3/t22-,23-,24-/m0/s1
SMILES: CC(C)CCCC(C)CCCC1(O[C@H]([C@@H](O1)C(=O)OC(C)C)C(=O)OC(C)C)C
InChI: InChI=1S/C23H42O6/c1-15(2)11-9-12-18(7)13-10-14-23(8)28-19(21(24)26-16(3)4)20(29-23)22(25)27-17(5)6/h15-20H,9-14H2,1-8H3/t18?,19-,20-/m1/s1
SMILES: C[C@@H]([C@@]1(CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C)O)O
InChI: InChI=1S/C22H28N2O5/c1-13(25)22(27)12-24-9-7-15(22)10-20(24)21(29-14(2)26)17-6-8-23-19-5-4-16(28-3)11-18(17)19/h4-6,8,11,13,15,20-21,25,27H,7,9-10,12H2,1-3H3/t13-,15-,20+,21-,22+/m0/s1
SMILES: C1C[C@@H](C[NH+](C1)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=NC5=CC=CC=C5S4
InChI: InChI=1S/C21H23N3O2S/c25-20-15-7-1-2-8-16(15)21(26)24(20)13-23-11-5-6-14(12-23)19-22-17-9-3-4-10-18(17)27-19/h1-4,9-10,14-16H,5-8,11-13H2/p+1/t14-,15-,16+/m0/s1
SMILES: C1C[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C(=C2)OCC3=CC=CC=C3)C4=NNC(=O)C5=C4C(=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)NC(=O)C8=CC=C(C=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C55H47N3O8/c59-53(41-27-29-43(30-28-41)62-33-37-15-5-1-6-16-37)56-45-24-14-25-46(45)66-55(61)42-31-48(64-35-39-19-9-3-10-20-39)51(49(32-42)65-36-40-21-11-4-12-22-40)52-50-44(54(60)58-57-52)23-13-26-47(50)63-34-38-17-7-2-8-18-38/h1-13,15-23,26-32,45-46H,14,24-25,33-36H2,(H,56,59)(H,58,60)/t45-,46-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)[Si](C)(C)C)OC(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H33NO4Si2/c1-11(21-23(9,10)16(3,4)5)13-14(19)17(22(6,7)8)15(13)20-12(2)18/h11,13,15H,1-10H3/t11-,13+,15-/m1/s1
SMILES: CC(=O)C1=CN=NN1[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H42N4O7SSi2/c1-15(28)16-12-25-26-27(16)20-19(33-37(10,11)22(5,6)7)23(17(24)14-35(29,30)34-23)18(32-20)13-31-36(8,9)21(2,3)4/h12,14,18-20H,13,24H2,1-11H3/t18-,19+,20-,23-/m1/s1
SMILES: CC(=CCC/C(=C/[C@@H]1[C@@]2(C[C@@H](C=CC2=O)OC(=O)C3=C(C(=CC=C3)F)F)CC(=O)O1)/C)C
InChI: InChI=1S/C25H26F2O5/c1-15(2)6-4-7-16(3)12-21-25(14-22(29)32-21)13-17(10-11-20(25)28)31-24(30)18-8-5-9-19(26)23(18)27/h5-6,8-12,17,21H,4,7,13-14H2,1-3H3/b16-12+/t17-,21-,25+/m1/s1
SMILES: CC1=CC=C(C=C1)C(O)OP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-])OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)N=[N+]=[N-]
InChI: InChI=1S/C28H33N10O11P/c1-14-4-6-17(7-5-14)26(41)49-50(44,45-12-20-18(33-35-29)8-22(47-20)37-10-15(2)24(39)31-27(37)42)46-13-21-19(34-36-30)9-23(48-21)38-11-16(3)25(40)32-28(38)43/h4-7,10-11,18-23,26,41H,8-9,12-13H2,1-3H3,(H,31,39,42)(H,32,40,43)/t18-,19-,20+,21+,22+,23+,26?/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3[C@@H](C(=N2)C(=O)C)C(=O)N(C3=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C20H16ClN3O3/c1-11-7-9-13(10-8-11)24-18-16(17(22-24)12(2)25)19(26)23(20(18)27)15-6-4-3-5-14(15)21/h3-10,16,18H,1-2H3/t16-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)C2=CC=CC(=C2)C(=O)C
InChI: InChI=1S/C16H23NO3S/c1-11-6-4-9-16(12(11)2)17-21(19,20)15-8-5-7-14(10-15)13(3)18/h5,7-8,10-12,16-17H,4,6,9H2,1-3H3/t11-,12-,16+/m1/s1
SMILES: C[C@]12[C@@H](C(=O)CC1)C(=C)/C=C\CC[C@@]3([C@H](C(=O)CC3)C(=C)/C=C\CC2)C
InChI: InChI=1S/C24H32O2/c1-17-9-5-7-14-24(4)16-12-20(26)22(24)18(2)10-6-8-13-23(3)15-11-19(25)21(17)23/h5-6,9-10,21-22H,1-2,7-8,11-16H2,3-4H3/b9-5-,10-6-/t21-,22+,23-,24+