EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@H]([C@H](O6)C)N=[N+]=[N-]
InChI: InChI=1S/C39H59N3O10/c1-8-24-10-9-11-32(52-34-15-14-31(41-42-40)21(3)48-34)20(2)35(44)30-18-28-26(29(30)19-33(43)50-24)13-12-23-16-25(17-27(23)28)51-39-38(47-7)37(46-6)36(45-5)22(4)49-39/h12-13,18,20-29,31-32,34,36-39H,8-11,14-17,19H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31-,32+,34+,36+,37-,38-,39+/m1/s1
SMILES: CC(=O)C1=CC2=C(O1)C[C@@H]3CC[C@@H]4[C@@H]([C@H]3C2)CC[C@]5([C@H]4CC[C@]5(C#C)O)C
InChI: InChI=1S/C24H30O3/c1-4-24(26)10-8-20-18-6-5-15-12-22-16(13-21(27-22)14(2)25)11-19(15)17(18)7-9-23(20,24)3/h1,13,15,17-20,26H,5-12H2,2-3H3/t15-,17-,18+,19-,20-,23-,24-/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H]4[C@H]3C(=NO4)C5=CC=CC=C5OCC#N
InChI: InChI=1S/C22H23N3O4/c1-22(2,3)25-20(26)15-12-10-13(16(15)21(25)27)19-17(12)18(24-29-19)11-6-4-5-7-14(11)28-9-8-23/h4-7,12-13,15-17,19H,9-10H2,1-3H3/t12-,13+,15+,16-,17+,19+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)CC2=CC=CC=C2)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C18H26O9/c19-7-12-13(21)15(23)16(24)18(26-12)27-17-10(20)8-25-11(14(17)22)6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11+,12-,13+,14+,15+,16-,17+,18+/m1/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)C4=CC=CC(=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CSCCO
InChI: InChI=1S/C37H37N3O5S/c1-24-34(23-46-18-17-41)44-37(45-35(24)28-11-9-25(22-42)10-12-28)29-15-13-27(14-16-29)30-6-4-5-26(19-30)20-39-36(43)33-21-38-31-7-2-3-8-32(31)40-33/h2-16,19,21,24,34-35,37,41-42H,17-18,20,22-23H2,1H3,(H,39,43)/t24-,34+,35+,37+/m1/s1
SMILES: CCN1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2COCC4)C(=O)N(C1=S)C
InChI: InChI=1S/C18H20N4O5S/c1-3-20-16(24)18(15(23)19(2)17(20)28)9-11-8-12(22(25)26)4-5-13(11)21-6-7-27-10-14(18)21/h4-5,8,14H,3,6-7,9-10H2,1-2H3/t14-,18+/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@H]3OC)OC4CC5=CC[C@@H]6[C@@H]([C@]5(C[C@H]4O)C)CCC(C6=O)C7=C(OC=C7)C)C)C)OC)O
InChI: InChI=1S/C40H60O13/c1-19-24(12-13-47-19)25-10-11-27-26(37(25)44)9-8-23-14-30(29(42)18-40(23,27)5)51-34-17-32(46-7)39(22(4)50-34)53-33-15-28(41)38(21(3)49-33)52-35-16-31(45-6)36(43)20(2)48-35/h8,12-13,20-22,25-36,38-39,41-43H,9-11,14-18H2,1-7H3/t20-,21+,22+,25?,26+,27-,28-,29+,30?,31+,32+,33-,34-,35-,36-,38+,39+,40-/m0/s1
SMILES: C=C1[C@H]([C@H](CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3
InChI: InChI=1S/C22H21Cl2NO3/c1-14-21(22(27)28-11-5-8-15-6-3-2-4-7-15)17(13-20(26)25-14)16-9-10-18(23)19(24)12-16/h2-4,6-7,9-10,12,17,21H,1,5,8,11,13H2,(H,25,26)/t17-,21-/m1/s1
SMILES: C[C@@]12CC[C@H](C[C@]13[C@@]([C@H](O3)C[Se]C4=CC=CC=C4)(OC2)C)C(C)(C)O
InChI: InChI=1S/C21H30O3Se/c1-18(2,22)15-10-11-19(3)14-23-20(4)17(24-21(19,20)12-15)13-25-16-8-6-5-7-9-16/h5-9,15,17,22H,10-14H2,1-4H3/t15-,17-,19+,20-,21-/m1/s1
SMILES: C1CC[C@]23CCN([C@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5.Br
InChI: InChI=1S/C24H29NO.BrH/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18;/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2;1H/t21-,23-,24-;/m0./s1
SMILES: C[C@@H](C1CC[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
InChI: InChI=1S/C23H38O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,24H,5-13H2,1-4H3/t14-,16-,17-,18-,19?,20-,21-,22-,23+/m0/s1
SMILES: C=CCNC(=S)N1[C@H]([C@H]2CCC3=CC=CC=C3C2=N1)C4=CC=CS4
InChI: InChI=1S/C19H19N3S2/c1-2-11-20-19(23)22-18(16-8-5-12-24-16)15-10-9-13-6-3-4-7-14(13)17(15)21-22/h2-8,12,15,18H,1,9-11H2,(H,20,23)/t15-,18+/m0/s1
SMILES: C/C=C/O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1F)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H33FO5/c1-2-18-33-29-28(35-21-25-16-10-5-11-17-25)27(34-20-24-14-8-4-9-15-24)26(36-30(29)31)22-32-19-23-12-6-3-7-13-23/h2-18,26-30H,19-22H2,1H3/b18-2+/t26-,27-,28+,29+,30+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=CC(=C(C=C43)F)F)O)OP(=O)(O1)O
InChI: InChI=1S/C12H11F2N2O6P/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-10(17)11-9(21-12)3-20-23(18,19)22-11/h1-2,4,9-12,17H,3H2,(H,18,19)/t9-,10-,11-,12-/m1/s1
SMILES: CC1(OC[C@H](O1)[C@H]([C@H]2[C@@H](OC(O2)(C)C)C=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C19H26O6/c1-18(2)22-12-15(24-18)16(21-11-13-8-6-5-7-9-13)17-14(10-20)23-19(3,4)25-17/h5-10,14-17H,11-12H2,1-4H3/t14-,15-,16+,17+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)[C@@H]2[C@H](C(=CN3CCC4=CC=CC=C43)NC(=O)N2)C(=O)OC
InChI: InChI=1S/C23H25N3O3/c1-14-8-9-15(2)17(12-14)21-20(22(27)29-3)18(24-23(28)25-21)13-26-11-10-16-6-4-5-7-19(16)26/h4-9,12-13,20-21H,10-11H2,1-3H3,(H2,24,25,28)/t20-,21+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11,13-14,17H,3-10H2,1-2H3/t11-,13-,14+,17+,18+,19-/m1/s1
SMILES: C[C@@]12[C@H]3C4=CC=CC=C4[C@@H]([C@@]1(C(=O)OC2=O)C)O3
InChI: InChI=1S/C14H12O4/c1-13-9-7-5-3-4-6-8(7)10(17-9)14(13,2)12(16)18-11(13)15/h3-6,9-10H,1-2H3/t9-,10+,13+,14-
SMILES: C1C[C@@H]2C[C@@H]3C(=O)N[C@@]2(C1)C(=O)N3CC4=CC=CC=C4
InChI: InChI=1S/C16H18N2O2/c19-14-13-9-12-7-4-8-16(12,17-14)15(20)18(13)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,19)/t12-,13-,16-/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2CC(=O)NC4=NC5=C(N4)C=CC=N5)CC6(CC6)C7[C@@]3(CCC(=O)N7)C
InChI: InChI=1S/C28H37N5O2/c1-26-9-7-19-17(15-28(11-12-28)24-27(19,2)10-8-21(34)31-24)18(26)6-5-16(26)14-22(35)32-25-30-20-4-3-13-29-23(20)33-25/h3-4,13,16-19,24H,5-12,14-15H2,1-2H3,(H,31,34)(H2,29,30,32,33,35)/t16-,17?,18+,19?,24?,26-,27-/m1/s1
SMILES: CCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H25NO4/c1-2-3-4-12-18(22)25-15-9-7-8-14(13-15)21-19(23)16-10-5-6-11-17(16)20(21)24/h7-9,13,16-17H,2-6,10-12H2,1H3/t16-,17-/m1/s1
SMILES: CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H28N4O4/c1-24(15-26-21(28)18-4-2-3-5-19(18)22(26)29)14-20(27)23-16-6-8-17(9-7-16)25-10-12-30-13-11-25/h2-3,6-9,18-19H,4-5,10-15H2,1H3,(H,23,27)/t18-,19-/m0/s1
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H19ClN2O4/c1-29-19-11-10-13(23)12-17(19)24-20(26)16-8-4-5-9-18(16)25-21(27)14-6-2-3-7-15(14)22(25)28/h2-5,8-12,14-15H,6-7H2,1H3,(H,24,26)/t14-,15-/m0/s1
SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)C[C@@H]4[C@H]([C@@H](OC(O4)C5=CC(=CC=C5)NS(=O)(=O)C6=CC=CC=C6)C7=CC=C(C=C7)CO)C8=CC=CC=C8
InChI: InChI=1S/C42H42N4O6S/c47-28-29-18-20-31(21-19-29)40-39(30-10-3-1-4-11-30)38(27-45-24-22-34(23-25-45)46-37-17-8-7-16-36(37)43-42(46)48)51-41(52-40)32-12-9-13-33(26-32)44-53(49,50)35-14-5-2-6-15-35/h1-21,26,34,38-41,44,47H,22-25,27-28H2,(H,43,48)/t38-,39-,40+,41?/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)[O-])SC4=C(C=NC=C4)CSC[C@@H](C(=O)N)[NH3+]
InChI: InChI=1S/C21H21ClN8O6S4/c22-15-11(28-21(25)40-15)12(29-36)17(32)27-13-18(33)30-14(20(34)35)10(6-38-19(13)30)39-9-1-2-26-3-7(9)4-37-5-8(23)16(24)31/h1-3,8,13,19,36H,4-6,23H2,(H2,24,31)(H2,25,28)(H,27,32)(H,34,35)/b29-12-/t8-,13+,19+/m0/s1
SMILES: C[C@H]1[C@H](CC2CC1C2(C)C)NC(=O)[C@@H]3[C@@H]([C@@H](ON3CC4=CC(=CC=C4)CN(CC5CCCC5)[C@@H](CC(C)C)CN(C)C)CO)[C@H](C)O
InChI: InChI=1S/C39H66N4O4/c1-25(2)16-32(23-41(7)8)42(20-28-12-9-10-13-28)21-29-14-11-15-30(17-29)22-43-37(36(27(4)45)35(24-44)47-43)38(46)40-34-19-31-18-33(26(34)3)39(31,5)6/h11,14-15,17,25-28,31-37,44-45H,9-10,12-13,16,18-24H2,1-8H3,(H,40,46)/t26-,27+,31?,32+,33?,34+,35+,36-,37+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C=C[C@H](O1)SC2=CC=CC=C2)O
InChI: InChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)20-13-16-15(19)11-12-17(21-16)22-14-9-7-6-8-10-14/h6-12,15-17,19H,13H2,1-5H3/t15-,16-,17-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)SC(=O)CN(C)CC(=O)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H31N3O4SSi/c1-10(23-25(6,7)16(2,3)4)13-14(22)18-15(13)24-12(21)9-19(5)8-11(17)20/h10,13,15H,8-9H2,1-7H3,(H2,17,20)(H,18,22)/t10-,13+,15-/m1/s1
SMILES: C[C@@]12CC[C@H]3C[C@@H]1[C@@H]([C@H](C4=C2NC5=CC=CC=C54)O)NC3(C)C
InChI: InChI=1S/C20H26N2O/c1-19(2)11-8-9-20(3)13(10-11)16(22-19)17(23)15-12-6-4-5-7-14(12)21-18(15)20/h4-7,11,13,16-17,21-23H,8-10H2,1-3H3/t11-,13+,16-,17-,20+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C61H103NO15/c1-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-38-43-55(73-49(6)65)60(69)62-53(54(72-48(5)64)42-39-35-37-41-46(3)40-36-33-31-17-15-13-11-2)44-71-61-59(76-52(9)68)58(75-51(8)67)57(74-50(7)66)56(77-61)45-70-47(4)63/h36,39-42,53-59,61H,10-35,37-38,43-45H2,1-9H3,(H,62,69)/b40-36+,42-39+,46-41+/t53-,54+,55+,56+,57+,58-,59+,61+/m0/s1
SMILES: CC(C)(C)[P@]1(=O)CC2=CC=CC=C2[C@@H]1[C@H]3C4=CC=CC=C4C[P@@]3(=O)C(C)(C)C
InChI: InChI=1S/C24H32O2P2/c1-23(2,3)27(25)15-17-11-7-9-13-19(17)21(27)22-20-14-10-8-12-18(20)16-28(22,26)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21-,22-,27+,28+/m1/s1
SMILES: COC1=C(C=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C18H21N5O6/c1-28-11-3-2-9(4-10(11)25)5-19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(6-24)29-18/h2-4,7-8,12,14-15,18,24-27H,5-6H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
SMILES: C[C@@H]1CC[C@H](/C(=C/[Si](C)(C)C)/[C@H]1CCC2(OCC(CO2)(C)C)C)CC(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C29H47NO3Si/c1-22-13-14-24(17-27(31)30-18-23-11-9-8-10-12-23)26(19-34(5,6)7)25(22)15-16-29(4)32-20-28(2,3)21-33-29/h8-12,19,22,24-25H,13-18,20-21H2,1-7H3,(H,30,31)/b26-19-/t22-,24+,25+/m1/s1
SMILES: CCCC[C@@]12[C@H](C[C@H](C(=O)N1CCC3=C2NC4=CC=CC=C34)C)C(=O)C5=CC=CS5
InChI: InChI=1S/C25H28N2O2S/c1-3-4-12-25-19(22(28)21-10-7-14-30-21)15-16(2)24(29)27(25)13-11-18-17-8-5-6-9-20(17)26-23(18)25/h5-10,14,16,19,26H,3-4,11-13,15H2,1-2H3/t16-,19-,25+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)C)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C21H32N2O2S/c1-7-10-23(6)20(25)12(2)15-8-9-21(5)11-16-18(22-14(4)26-16)13(3)17(21)19(15)24/h7,12-13,15,17,19,24H,1,8-11H2,2-6H3/t12-,13-,15-,17+,19-,21-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](C(=O)N2CC3=CC=CC=C3)O[C@@H]4C=C[C@@H]([C@H](O4)CO)O)C
InChI: InChI=1S/C21H27NO7/c1-21(2)26-12-16(29-21)18-19(28-17-9-8-14(24)15(11-23)27-17)20(25)22(18)10-13-6-4-3-5-7-13/h3-9,14-19,23-24H,10-12H2,1-2H3/t14-,15+,16+,17+,18-,19+/m0/s1
SMILES: COCO[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCOC)CN=[N+]=[N-])CC=C
InChI: InChI=1S/C20H29N3O6/c1-4-8-16-18(27-13-24-2)20(26-12-15-9-6-5-7-10-15)19(28-14-25-3)17(29-16)11-22-23-21/h4-7,9-10,16-20H,1,8,11-14H2,2-3H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
InChI: InChI=1S/C36H54N2O4/c1-33(2,3)21-17-23(29(39)25(19-21)35(7,8)9)31(41)37-27-15-13-14-16-28(27)38-32(42)24-18-22(34(4,5)6)20-26(30(24)40)36(10,11)12/h17-20,27-28,39-40H,13-16H2,1-12H3,(H,37,41)(H,38,42)/t27-,28-/m1/s1
SMILES: CCCCCCCCCC(=O)C[C@@H]([C@@H]1[C@H](OC(=O)N1C)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H47NO4Si/c1-8-9-10-11-12-13-17-20-23(30)21-24(33-34(6,7)28(2,3)4)25-26(32-27(31)29(25)5)22-18-15-14-16-19-22/h14-16,18-19,24-26H,8-13,17,20-21H2,1-7H3/t24-,25+,26+/m0/s1
SMILES: CCCN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)C)C(=O)NC5=CC=C(C=C5)F
InChI: InChI=1S/C25H28FN3O/c1-3-11-29-14-16(25(30)28-18-9-7-17(26)8-10-18)12-21-19-5-4-6-22-24(19)20(13-23(21)29)15(2)27-22/h4-10,16,21,23,27H,3,11-14H2,1-2H3,(H,28,30)/t16-,21-,23-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](C)[C@H](C(=O)C=CC(=O)CCCCCCCCCCO)OC(=O)C)C2=CC=CC=C2
InChI: InChI=1S/C30H41NO8/c1-21(29(36)31-22(2)28(39-30(31)37)24-15-11-10-12-16-24)27(38-23(3)33)26(35)19-18-25(34)17-13-8-6-4-5-7-9-14-20-32/h10-12,15-16,18-19,21-22,27-28,32H,4-9,13-14,17,20H2,1-3H3/t21-,22-,27-,28-/m1/s1
SMILES: C1CC1C2(O[C@@H]3C=C(C[C@H]([C@@H]3O2)OC(=O)C4=CC=C(C=C4)C=CC(=O)OCC(F)(F)F)C(=O)NCC5=CC(=CC=C5)C(=O)NCCO)C6CC6
InChI: InChI=1S/C36H37F3N2O9/c37-35(38,39)20-47-30(43)13-6-21-4-7-23(8-5-21)34(46)48-28-17-25(18-29-31(28)50-36(49-29,26-9-10-26)27-11-12-27)33(45)41-19-22-2-1-3-24(16-22)32(44)40-14-15-42/h1-8,13,16,18,26-29,31,42H,9-12,14-15,17,19-20H2,(H,40,44)(H,41,45)/t28-,29-,31+/m1/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C49H62N2O9/c1-4-27-56-37-23-24-43-41(31-37)46-39(21-10-13-26-53)35(17-9-12-25-52)30-40-42(50-60-45-22-11-14-29-57-45)32-44(49(59-43,47(40)46)58-28-5-2)51(48(54)55-6-3)33-36-19-15-18-34-16-7-8-20-38(34)36/h4-5,7-8,15-16,18-20,23-24,30-31,35,39,44-47,52-53H,1-2,6,9-14,17,21-22,25-29,32-33H2,3H3/t35-,39+,44-,45?,46+,47+,49+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@]4(CC(=NO4)C5=CC=CC=C5)C)O
InChI: InChI=1S/C26H25N3O7/c1-15(30)22-21-12-19(26(2)13-20(27-36-26)17-6-4-3-5-7-17)23(28(21)24(22)31)25(32)35-14-16-8-10-18(11-9-16)29(33)34/h3-11,15,21-22,30H,12-14H2,1-2H3/t15-,21-,22-,26-/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-])C
InChI: InChI=1S/C16H18FNO3/c1-9-7-13(14(16(20)21)8-10(9)2)15(19)18-12-5-3-11(17)4-6-12/h3-6,13-14H,7-8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-,14-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C20H31N3O5/c1-13-7-3-4-9-15(13)21-16(24)12-28-17(25)11-23-18(26)20(22-19(23)27)10-6-5-8-14(20)2/h13-15H,3-12H2,1-2H3,(H,21,24)(H,22,27)/t13-,14-,15-,20-/m0/s1
SMILES: C1C[C@@H]2[C@@H](C1)C3=C(C(=CC=C3)N)N[C@H]2C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H19ClN2/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(20)18(15)21-17/h2,5-10,13-14,17,21H,1,3-4,20H2/t13-,14-,17+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@H](O[C@@H]1C[C@@H](C)C2(OCCO2)CCC=O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C36H56O6Si2/c1-8-43(9-2,10-3)42-34-27-30(41-33(34)26-29(4)36(22-17-23-37)38-24-25-39-36)28-40-44(35(5,6)7,31-18-13-11-14-19-31)32-20-15-12-16-21-32/h11-16,18-21,23,29-30,33-34H,8-10,17,22,24-28H2,1-7H3/t29-,30+,33-,34-/m1/s1
SMILES: COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@]2(C3=CC=CC=C3[C@H]1C(=O)O2)C4=CC=CC=C4)C=O
InChI: InChI=1S/C19H16O3/c1-12-16(11-20)19(13-7-3-2-4-8-13)15-10-6-5-9-14(15)17(12)18(21)22-19/h2-12,16-17H,1H3/t12-,16-,17+,19+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C15H18N2O4S/c1-10-6-8-11(9-7-10)22(20,21)16-17-14(18)12-4-2-3-5-13(12)15(17)19/h6-9,12-13,16H,2-5H2,1H3/t12-,13-/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)[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)CCC8=CC=C(C=C8)O)O
InChI: InChI=1S/C44H39NO8/c1-52-29-21-35(47)39(36(22-29)53-2)40-30-17-18-31-38(43(51)45(42(31)50)20-19-25-13-15-28(46)16-14-25)33(30)23-34-41(49)32(26-9-5-3-6-10-26)24-37(48)44(34,40)27-11-7-4-8-12-27/h3-17,21-22,24,31,33-34,38,40,46-47H,18-20,23H2,1-2H3/t31-,33+,34-,38-,40+,44-/m0/s1
SMILES: CC(=O)O[C@]12CO[C@@H]([C@H]1CO[C@H]2OC3=C(C=C4C(=C3)OCO4)OC)C5=CC6=C(C=C5OC)OCO6
InChI: InChI=1S/C24H24O11/c1-12(25)35-24-9-29-22(13-4-17-18(31-10-30-17)5-15(13)26-2)14(24)8-28-23(24)34-21-7-20-19(32-11-33-20)6-16(21)27-3/h4-7,14,22-23H,8-11H2,1-3H3/t14-,22-,23+,24-/m1/s1
SMILES: C[C@@H](CCOCC1=CC=CC=C1)/C(=C/C(=C)C[C@@H](C)C[C@@H]2[C@H](O2)CO)/C
InChI: InChI=1S/C23H34O3/c1-17(12-18(2)14-22-23(15-24)26-22)13-20(4)19(3)10-11-25-16-21-8-6-5-7-9-21/h5-9,13,18-19,22-24H,1,10-12,14-16H2,2-4H3/b20-13+/t18-,19+,22-,23-/m1/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OC
InChI: InChI=1S/C19H20N2O6S/c1-4-27-13-8-6-5-7-11(13)15-12(9-20)18(28-10-14(22)25-2)21-17(23)16(15)19(24)26-3/h5-8,15-16H,4,10H2,1-3H3,(H,21,23)/t15-,16-/m1/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H](N3[C@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C35H26ClNO4/c1-2-41-28-14-8-6-12-26(28)30-31(32(38)22-15-18-23(36)19-16-22)37-27-13-7-3-9-21(27)17-20-29(37)35(30)33(39)24-10-4-5-11-25(24)34(35)40/h3-20,29-31H,2H2,1H3/t29-,30+,31-/m0/s1
SMILES: C[C@H]1[C@@H](OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)/C=N/N(C)C
InChI: InChI=1S/C18H21N3O3S/c1-13-16-11-14(20-25(22,23)15-7-5-4-6-8-15)9-10-17(16)24-18(13)12-19-21(2)3/h4-13,18,20H,1-3H3/b19-12+/t13-,18+/m1/s1
SMILES: CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@H]2CC[C@]3(C)O)C
InChI: InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C)C5=CC(=C(C=C5)O)F
InChI: InChI=1S/C24H20FNO5/c1-10-7-18(28)15-9-14-12(4-5-13-20(14)24(31)26(2)23(13)30)19(21(15)22(10)29)11-3-6-17(27)16(25)8-11/h3-4,6-8,13-14,19-20,27H,5,9H2,1-2H3/t13-,14+,19-,20-/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]
InChI: InChI=1S/C25H22N2O7/c1-14-9-10-16(12-20(14)27(32)33)21(28)13-34-25(31)17-6-4-7-18(11-17)26-23(29)19-8-3-5-15(2)22(19)24(26)30/h3-7,9-12,15,19,22H,8,13H2,1-2H3/t15-,19-,22+/m0/s1
SMILES: CCOC(=O)/C=C(\COCC1=CC=C(C=C1)OC)/[C@@H]2[C@@H](C[C@H](O2)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C26H32O7/c1-4-31-24(27)14-21(18-30-16-20-10-12-22(28-2)13-11-20)26-23(15-25(29-3)33-26)32-17-19-8-6-5-7-9-19/h5-14,23,25-26H,4,15-18H2,1-3H3/b21-14+/t23-,25+,26-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@@H]2C(=O)NNC(=O)NC3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C23H29N3O4/c1-23(2,3)15-8-6-14(7-9-15)17-13-18(17)21(27)25-26-22(28)24-19-11-10-16(29-4)12-20(19)30-5/h6-12,17-18H,13H2,1-5H3,(H,25,27)(H2,24,26,28)/t17-,18+/m1/s1
SMILES: CC1=C(C=CC(=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H22N2O4/c1-13-11-17(9-10-18(13)25-21(26)14-5-3-2-4-6-14)24-22(27)19-15-7-8-16(12-15)20(19)23(28)29/h2-11,15-16,19-20H,12H2,1H3,(H,24,27)(H,25,26)(H,28,29)/p-1/t15-,16+,19-,20+/m1/s1
SMILES: CCNC1=CC=CC(=C1)C2=CC=C(O2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4
InChI: InChI=1S/C19H23N3O2/c1-2-20-13-5-3-4-12(10-13)17-8-9-18(24-17)19(23)22-16-11-14-6-7-15(16)21-14/h3-5,8-10,14-16,20-21H,2,6-7,11H2,1H3,(H,22,23)/t14-,15+,16-/m1/s1
SMILES: C[C@]1\2CCCC(=O)[C@@H]1CC/C2=C/C3=CC(=CC=C3)C(=O)OC
InChI: InChI=1S/C19H22O3/c1-19-10-4-7-17(20)16(19)9-8-15(19)12-13-5-3-6-14(11-13)18(21)22-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3/b15-12-/t16-,19+/m0/s1
SMILES: CCCCCCCC(=O)N(CCCCCC)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO
InChI: InChI=1S/C31H48N2O7/c1-4-6-8-10-11-13-26(36)33(15-12-9-7-5-2)24-19-23(31(38)32-14-16-34)27-22-17-21(20-35)18-25(39-3)29(22)40-30(27)28(24)37/h17-19,24,27-28,30,34-35,37H,4-16,20H2,1-3H3,(H,32,38)/t24-,27+,28+,30+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)C
InChI: InChI=1S/C24H29N3OS/c1-16-11-13-19(14-12-16)27-22-10-5-4-8-21(22)26-24(27)29-15-23(28)25-20-9-6-7-17(2)18(20)3/h4-5,8,10-14,17-18,20H,6-7,9,15H2,1-3H3,(H,25,28)/t17-,18-,20+/m0/s1
SMILES: C[C@H](/C=C/[C@@H]1[C@@]2(C[C@@H](C[C@]1(OC2)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O
InChI: InChI=1S/C19H32O8/c1-10(21)4-5-13-18(2)6-11(7-19(13,3)25-9-18)26-17-16(24)15(23)14(22)12(8-20)27-17/h4-5,10-17,20-24H,6-9H2,1-3H3/b5-4+/t10-,11+,12-,13-,14-,15+,16-,17-,18-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)NC3=O)SC4=C2SC(=O)N4
InChI: InChI=1S/C15H12N2O4S2/c1-21-7-4-2-6(3-5-7)8-9-10(13(19)16-12(9)18)22-14-11(8)23-15(20)17-14/h2-5,8-10H,1H3,(H,17,20)(H,16,18,19)/t8-,9-,10+/m0/s1
SMILES: CC(C)(CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=CS4)CC(=O)O
InChI: InChI=1S/C21H26N4O5S/c1-21(2,9-17(27)28)8-16(26)23-13-10-29-19-14(11-30-18(13)19)25-20-22-6-5-12(24-20)15-4-3-7-31-15/h3-7,13-14,18-19H,8-11H2,1-2H3,(H,23,26)(H,27,28)(H,22,24,25)/t13-,14-,18+,19+/m0/s1
SMILES: CC(=CCOC(=O)C)C(=O)O[C@@H]1C[C@]2(CO2)[C@H]3[C@@H]([C@@H]4C1C(=C)C(=O)O4)[C@]5([C@@H]([C@H]3O)O5)C
InChI: InChI=1S/C22H26O9/c1-9(5-6-27-11(3)23)19(25)29-12-7-22(8-28-22)14-15(21(4)18(31-21)16(14)24)17-13(12)10(2)20(26)30-17/h5,12-18,24H,2,6-8H2,1,3-4H3/t12-,13?,14+,15+,16+,17+,18-,21+,22+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@H]([C@]3([C@@H]1[C@]45CCC[C@]([C@H]4C[C@@H]3OC)(COC5)C)C(=O)C2=C)OC(=O)C
InChI: InChI=1S/C25H34O7/c1-13-16-9-17(31-14(2)26)20-24-8-6-7-23(4,11-30-12-24)18(24)10-19(29-5)25(20,21(13)28)22(16)32-15(3)27/h16-20,22H,1,6-12H2,2-5H3/t16-,17-,18+,19-,20-,22+,23-,24-,25+/m0/s1
SMILES: C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O
InChI: InChI=1S/C46H57NO7/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)47-37(48)28-12-8-9-13-29(28)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-54-40(53)31-15-11-10-14-30(31)39(51)52/h8-17,34-36H,18-27H2,1-7H3,(H,47,48)(H,49,50)(H,51,52)/t34-,35+,36-,42-,43+,44-,45+,46+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)CCC=C3NC4=CC=CC=C4S2
InChI: InChI=1S/C20H19NOS/c1-13-9-11-14(12-10-13)20-19-16(6-4-7-17(19)22)21-15-5-2-3-8-18(15)23-20/h2-3,5-6,8-12,19-21H,4,7H2,1H3/t19-,20-/m1/s1
SMILES: CC12[C@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)NC3=O
InChI: InChI=1S/C19H15NO2/c1-19-12-8-4-2-6-10(12)14(11-7-3-5-9-13(11)19)15-16(19)18(22)20-17(15)21/h2-9,14-16H,1H3,(H,20,21,22)/t14?,15-,16-,19?/m0/s1
SMILES: CN[N+]1=CC=C(C=C1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)[O-]
InChI: InChI=1S/C19H19N7O5S3/c1-21-25-4-2-10(3-5-25)32-6-9-7-33-17-13(16(28)26(17)14(9)18(29)30)23-15(27)12(24-31)11-8-34-19(20)22-11/h2-5,8,13,17,21H,6-7H2,1H3,(H4-,20,22,23,27,29,30,31)/t13-,17-/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NC3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C19H30N4S/c1-4-14-13-23-10-9-15(14)11-18(23)12-20-19(24)21-16-5-7-17(8-6-16)22(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3,(H2,20,21,24)/t14-,15-,18+/m0/s1
SMILES: CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)C3[C@@H]([C@@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H29NO4/c1-2-38-33(37)30(24-16-10-5-11-17-24)34-32(36)26-20-18-25(19-21-26)31(35)29-27(22-12-6-3-7-13-22)28(29)23-14-8-4-9-15-23/h3-21,27-30H,2H2,1H3,(H,34,36)/t27-,28+,29?,30-/m0/s1
SMILES: C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=C(SC(=N3)C)Cl)/C
InChI: InChI=1S/C26H38ClNO6S/c1-13-8-7-9-18-20(33-18)11-19(14(2)10-17-25(27)35-16(4)28-17)34-22(30)12-21(29)26(5,6)24(32)15(3)23(13)31/h10,13,15,18-21,23,29,31H,7-9,11-12H2,1-6H3/b14-10+/t13-,15+,18+,19-,20-,21-,23-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC4=C(C=CC(=C4)OC)OC)C)[C@H](C)C(=O)NCCN5CCOCC5)O
InChI: InChI=1S/C30H44N4O5S/c1-18(28(36)31-10-11-34-12-14-39-15-13-34)21-8-9-30(3)17-24-26(19(2)25(30)27(21)35)33-29(40-24)32-22-16-20(37-4)6-7-23(22)38-5/h6-7,16,18-19,21,25,27,35H,8-15,17H2,1-5H3,(H,31,36)(H,32,33)/t18-,19-,21+,25+,27-,30-/m0/s1
SMILES: C[C@@H]1N([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H](O1)C(=C)C)C
InChI: InChI=1S/C18H22N2O/c1-10(2)18-17-13-6-5-7-14-16(13)12(9-19-14)8-15(17)20(4)11(3)21-18/h5-7,9,11,15,17-19H,1,8H2,2-4H3/t11-,15-,17-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C18H27N3O4S2/c1-14-4-2-3-5-16(14)20-17(22)13-26-18-7-6-15(12-19-18)27(23,24)21-8-10-25-11-9-21/h6-7,12,14,16H,2-5,8-11,13H2,1H3,(H,20,22)/t14-,16-/m1/s1
SMILES: CCCCCC[C@@H](CCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C53H86O17/c1-8-9-10-20-24-41(59)25-22-27-43(69-53-51(66-39(7)58)50(65-38(6)57)49(64-37(5)56)48(70-53)33-61-35(3)54)45-29-31-47(68-45)46-30-28-44(67-46)42(63-36(4)55)26-21-18-16-14-12-11-13-15-17-19-23-40-32-34(2)62-52(40)60/h32,34,41-51,53,59H,8-31,33H2,1-7H3/t34-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50-,51+,53+/m0/s1
SMILES: C1[C@H]([C@@H](O[C@@H]([C@H]1O)CN)O[C@@H]2[C@H](C[C@H](C([C@H]2O)O[C@@H]3C[C@H]([C@@H]([C@H](O3)CO)O)N)N)N)N
InChI: InChI=1S/C18H37N5O8/c19-4-11-10(25)2-9(23)18(29-11)31-17-8(22)1-7(21)16(15(17)27)30-13-3-6(20)14(26)12(5-24)28-13/h6-18,24-27H,1-5,19-23H2/t6-,7-,8+,9-,10+,11-,12-,13-,14+,15-,16?,17-,18+/m1/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)O[C@@H]([C@H]([C@@H]3OCCOC)OC(=O)C4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5)C
InChI: InChI=1S/C30H30N2O7/c1-18-19(2)32-15-14-23-25(37-17-16-35-3)27(39-30(34)22-12-10-21(11-13-22)29(33)36-4)24(20-8-6-5-7-9-20)38-26(23)28(32)31-18/h5-15,24-25,27H,16-17H2,1-4H3/t24-,25-,27-/m1/s1