EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=NC=CC=N7
InChI: InChI=1S/C42H40N4O7S/c1-27-36(26-54-41-43-18-7-19-44-41)52-40(53-38(27)31-16-14-28(24-47)15-17-31)34-13-6-12-33(21-34)32-11-5-10-30(20-32)23-46-37(48)22-35(39(46)49)45-42(50)51-25-29-8-3-2-4-9-29/h2-21,27,35-36,38,40,47H,22-26H2,1H3,(H,45,50)/t27-,35?,36+,38+,40+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](C[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)OCOC)OC
InChI: InChI=1S/C42H58N2O10S/c1-29-19-23-35(24-20-29)55(45,46)44-43-31(3)22-21-30(2)38(48-6)32(4)36(53-28-47-5)25-37-39(49-7)40(51-26-33-15-11-9-12-16-33)41(42(50-8)54-37)52-27-34-17-13-10-14-18-34/h9-24,30,32,36-42,44H,25-28H2,1-8H3/b22-21+,43-31+/t30-,32-,36+,37+,38+,39-,40-,41+,42-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@H](O2)C[C@@H]3CCC[C@@H](O3)CI)O[C@H]1CO
InChI: InChI=1S/C17H29IO4/c1-12-5-7-17(22-16(12)11-19)8-6-14(21-17)9-13-3-2-4-15(10-18)20-13/h12-16,19H,2-11H2,1H3/t12-,13+,14+,15-,16+,17+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C(=O)OC)OC(=O)C
InChI: InChI=1S/C20H21NO13/c1-9(23)30-15-16(31-10(2)24)18(32-11(3)25)20(34-17(15)19(26)29-4)33-14-6-5-13(21(27)28)7-12(14)8-22/h5-8,15-18,20H,1-4H3/t15-,16-,17-,18+,20+/m0/s1
SMILES: CC1=C(C=CC(=C1)CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)CC3=C(NN=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C
InChI: InChI=1S/C32H49N5O8/c1-18(2)25-22(29(36-35-25)45-30-28(42)27(41)26(40)23(17-38)44-30)16-21-10-9-20(15-19(21)3)7-6-8-24(39)34-32(4,5)31(43)37-13-11-33-12-14-37/h9-10,15,18,23,26-28,30,33,38,40-42H,6-8,11-14,16-17H2,1-5H3,(H,34,39)(H,35,36)/t23-,26-,27+,28-,30+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=CC(=C(C=C6)O)OCC)C(=O)N(C5=O)C7=CC=C(C=C7)CC
InChI: InChI=1S/C38H38N2O6/c1-4-21-7-12-24(13-8-21)39-35(42)27-17-16-26-28(33(27)37(39)44)20-29-34(32(26)23-11-18-30(41)31(19-23)46-6-3)38(45)40(36(29)43)25-14-9-22(5-2)10-15-25/h7-16,18-19,27-29,32-34,41H,4-6,17,20H2,1-3H3/t27-,28+,29+,32-,33-,34+/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+,18+,19+/m1/s1
SMILES: CN(C)C=NC(=O)[C@@H]1[C@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)N=CN(C)C
InChI: InChI=1S/C24H26N4O2/c1-27(2)13-25-23(29)21-19-15-9-5-7-11-17(15)20(18-12-8-6-10-16(18)19)22(21)24(30)26-14-28(3)4/h5-14,19-22H,1-4H3/t19?,20?,21-,22-/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C16H17NO3/c1-8-3-2-4-10(5-8)17-15(18)13-9-6-11-12(7-9)20-16(19)14(11)13/h2-5,9,11-14H,6-7H2,1H3,(H,17,18)/t9-,11+,12-,13-,14+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]([C@@H]1C/C=C\CCO)CC(=O)OC
InChI: InChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-17-12-11-15(14-18(21)22-4)16(17)10-8-7-9-13-20/h7-8,15-17,20H,9-14H2,1-6H3/b8-7-/t15-,16+,17-/m1/s1
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC(=CC=C4)C#N)CC5=CC(=CC=C5)C#N)CC6=CC=CC=C6)C
InChI: InChI=1S/C38H36N4O3/c1-38(2)44-35-33(21-27-11-5-3-6-12-27)41(25-31-17-9-15-29(19-31)23-39)37(43)42(26-32-18-10-16-30(20-32)24-40)34(36(35)45-38)22-28-13-7-4-8-14-28/h3-20,33-36H,21-22,25-26H2,1-2H3/t33-,34-,35+,36+/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@H]3[C@H]2CC[C@]4([C@@H]3CC[C@H]4[NH2+]CC#N)C)O
InChI: InChI=1S/C21H34N2O/c1-20-9-7-15(24)13-14(20)3-4-16-17-5-6-19(23-12-11-22)21(17,2)10-8-18(16)20/h14-19,23-24H,3-10,12-13H2,1-2H3/p+1/t14-,15+,16+,17+,18+,19+,20-,21-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)N2CCOCC2)C3=CC(=CC=C3)OC
InChI: InChI=1S/C20H25NO5/c1-3-26-20(23)19-17(14-5-4-6-16(11-14)24-2)12-15(13-18(19)22)21-7-9-25-10-8-21/h4-6,11,13,17,19H,3,7-10,12H2,1-2H3/t17-,19+/m0/s1
SMILES: C[C@@H]1[C@@H](C[C@H](O[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C
InChI: InChI=1S/C20H23NO2/c1-14-18(21-15(2)22)13-19(16-9-5-3-6-10-16)23-20(14)17-11-7-4-8-12-17/h3-12,14,18-20H,13H2,1-2H3,(H,21,22)/t14-,18-,19+,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=CC=CC\2=C1C(=O)O[C@H]([C@H](/C=C\C=C/C=C2)OCOC)CCO
InChI: InChI=1S/C25H36O6Si/c1-25(2,3)32(5,6)31-22-15-11-13-19-12-9-7-8-10-14-20(29-18-28-4)21(16-17-26)30-24(27)23(19)22/h7-15,20-21,26H,16-18H2,1-6H3/b8-7-,12-9+,14-10-/t20-,21-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC5=CC=C(C=C5)F)C
InChI: InChI=1S/C22H29FO5/c1-13-4-9-18-14(2)19(24-12-15-5-7-16(23)8-6-15)25-20-22(18)17(13)10-11-21(3,26-20)27-28-22/h5-8,13-14,17-20H,4,9-12H2,1-3H3/t13-,14-,17+,18+,19+,20-,21-,22-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H]2C(=O)OCC3=COC(=C3)CC4=CC=CC=C4
InChI: InChI=1S/C19H18O3/c20-19(18-16-7-4-8-17(16)18)22-12-14-10-15(21-11-14)9-13-5-2-1-3-6-13/h1-7,10-11,16-18H,8-9,12H2/t16-,17+,18+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCCCC(=O)OC)CO)O)O[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O
InChI: InChI=1S/C24H43NO12/c1-14(28)25-19-22(37-24-20(31)16(29)11-15(12-26)35-24)21(32)17(13-27)36-23(19)34-10-8-6-4-3-5-7-9-18(30)33-2/h15-17,19-24,26-27,29,31-32H,3-13H2,1-2H3,(H,25,28)/t15-,16-,17+,19+,20+,21+,22+,23+,24-/m0/s1
SMILES: C1=CC=C2C(=C1)N(C(=O)[C@H](O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=CC(=C(C=C4N=C3Br)Cl)Cl)O)O)N
InChI: InChI=1S/C21H20BrCl2N3O5/c22-21-26-14-7-11(23)12(24)8-15(14)27(21)19-18(29)17(28)16(32-19)9-31-20(30)13(25)6-10-4-2-1-3-5-10/h1-5,7-8,13,16-19,28-29H,6,9,25H2/t13-,16+,17+,18+,19+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=C(C=CS1)C(=O)N)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H19N3O6S/c1-9(21-16(24)10-4-2-3-5-11(10)17(21)25)18(26)27-8-13(22)20-15-12(14(19)23)6-7-28-15/h2-3,6-7,9-11H,4-5,8H2,1H3,(H2,19,23)(H,20,22)/t9-,10-,11+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=NN2C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H27N5O2S/c1-12-6-5-7-17(13(12)2)20-18(25)14(3)27-19-21-22-23-24(19)15-8-10-16(26-4)11-9-15/h8-14,17H,5-7H2,1-4H3,(H,20,25)/t12-,13-,14-,17+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)SCC3=CC(=CC=C3)F)C(=O)OC
InChI: InChI=1S/C22H19FN2O4S/c1-28-16-8-6-14(7-9-16)18-17(11-24)21(25-20(26)19(18)22(27)29-2)30-12-13-4-3-5-15(23)10-13/h3-10,18-19H,12H2,1-2H3,(H,25,26)/t18-,19-/m1/s1
SMILES: C1C[C@@H]2CN(C[C@@H]2NC1)C3=NC(=NC(=C3)C4=CC=CC(=C4)CO)N.Cl
InChI: InChI=1S/C18H23N5O.ClH/c19-18-21-15(13-4-1-3-12(7-13)11-24)8-17(22-18)23-9-14-5-2-6-20-16(14)10-23;/h1,3-4,7-8,14,16,20,24H,2,5-6,9-11H2,(H2,19,21,22);1H/t14-,16+;/m1./s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3C(=O)C4=CC=CC=C4N=N3
InChI: InChI=1S/C17H19N5O3/c1-11-6-4-5-9-17(11)15(24)21(16(25)18-17)10-22-14(23)12-7-2-3-8-13(12)19-20-22/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,25)/t11-,17+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CC(=O)N4CC[N+](CC4)(C)C)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C22H34N4O5S/c1-12-18-17(13(2)27)21(29)25(18)19(22(30)31)20(12)32-15-9-14(23-11-15)10-16(28)24-5-7-26(3,4)8-6-24/h12-15,17-18,23,27H,5-11H2,1-4H3/t12-,13-,14+,15+,17-,18-/m1/s1
SMILES: C[C@H](/C=C/[C@@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25+,26+,27-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)[O-]
InChI: InChI=1S/C16H15NO5/c18-14(19)9-22-11-7-5-10(6-8-11)17-15(20)12-3-1-2-4-13(12)16(17)21/h1-2,5-8,12-13H,3-4,9H2,(H,18,19)/p-1/t12-,13+
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=NC(=NN2)C(=O)N)O)O)O
InChI: InChI=1S/C8H12N4O5/c9-6(16)8-10-7(11-12-8)5-4(15)3(14)2(1-13)17-5/h2-5,13-15H,1H2,(H2,9,16)(H,10,11,12)/t2-,3-,4-,5-/m1/s1
SMILES: CCC[C@@H](C(=O)C(=O)N[C@@H](C)CC)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H](C(C)(C)C)NC(=O)C3=NC=CN=C3
InChI: InChI=1S/C35H55N7O6/c1-10-13-23(26(43)31(46)38-20(3)11-2)39-30(45)25-22-15-12-14-21(22)19-42(25)33(48)28(35(7,8)9)41-32(47)27(34(4,5)6)40-29(44)24-18-36-16-17-37-24/h16-18,20-23,25,27-28H,10-15,19H2,1-9H3,(H,38,46)(H,39,45)(H,40,44)(H,41,47)/t20-,21-,22-,23-,25-,27-,28-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC(=O)[C@]3(C)CCC(=O)O
InChI: InChI=1S/C19H28O5/c1-18-9-7-13-11(12(18)4-5-14(18)17(23)24)3-6-15(20)19(13,2)10-8-16(21)22/h11-14H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12-,13-,14+,18-,19+/m0/s1
SMILES: CC1([C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C=C3)O
InChI: InChI=1S/C20H25NO4/c1-20(23)18-14-6-5-13(11-14)17(18)19(22)21(20)9-8-12-4-7-15(24-2)16(10-12)25-3/h4-7,10,13-14,17-18,23H,8-9,11H2,1-3H3/t13-,14+,17-,18+,20?/m0/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2C(=O)[C@@H]([C@H]4[C@@]3(CCCC4)C)Br)C
InChI: InChI=1S/C25H39BrO3/c1-15(8-11-20(27)29-4)16-9-10-17-21-18(12-14-25(16,17)3)24(2)13-6-5-7-19(24)22(26)23(21)28/h15-19,21-22H,5-14H2,1-4H3/t15-,16+,17+,18-,19-,21+,22+,24+,25+/m0/s1
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3C(=O)CN(C)C)C=C(C=C4)O
InChI: InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H18N2O3S/c1-12-16(18(23)14-6-4-3-5-7-14)17(22-20(26)21-12)13-8-10-15(11-9-13)19(24)25-2/h3-11,16-17H,1H2,2H3,(H2,21,22,26)/t16-,17+/m0/s1
SMILES: C[C@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C
InChI: InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14-,16+,18-,19-,20+,21+,22-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@@H]2C(=O)OC)NC3=CC=C(C=C3)F
InChI: InChI=1S/C21H20FNO4/c1-26-17-9-3-13(4-10-17)18-11-16(12-19(24)20(18)21(25)27-2)23-15-7-5-14(22)6-8-15/h3-10,12,18,20,23H,11H2,1-2H3/t18-,20-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C20H21F3N2O2S/c1-13-3-8-18-16(11-13)17-12-24(2)10-9-19(17)25(18)28(26,27)15-6-4-14(5-7-15)20(21,22)23/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCOP(=O)(OC1[C@H]2[C@H](C([C@@H]3[C@H]1OC(O3)(C)C)O)OC(O2)(C)C)OC4=CC=CC=C4
InChI: InChI=1S/C40H69O9P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-43-50(42,48-32-29-26-25-27-30-32)49-38-36-34(44-39(2,3)46-36)33(41)35-37(38)47-40(4,5)45-35/h25-27,29-30,33-38,41H,6-24,28,31H2,1-5H3/t33?,34-,35+,36-,37-,38?,50?/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)SC5=C2SC(=O)N5
InChI: InChI=1S/C22H15F3N2O4S2/c1-31-13-7-5-10(6-8-13)14-15-17(32-18-16(14)33-21(30)26-18)20(29)27(19(15)28)12-4-2-3-11(9-12)22(23,24)25/h2-9,14-15,17H,1H3,(H,26,30)/t14-,15-,17+/m0/s1
SMILES: CCCCNC(=O)C1[C@@H]([C@H](CN1C(=O)C2=CC(=CC=C2)N(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H55N3O4Si2/c1-14-15-19-31-27(34)25-26(37-39(12,13)30(5,6)7)24(36-38(10,11)29(2,3)4)21-33(25)28(35)22-17-16-18-23(20-22)32(8)9/h16-18,20,24-26H,14-15,19,21H2,1-13H3,(H,31,34)/t24-,25?,26+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
InChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4CCCN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H23ClN2O3/c1-2-14-5-11-17(12-6-14)27-23(29)19-18-4-3-13-26(18)21(20(19)24(27)30)22(28)15-7-9-16(25)10-8-15/h5-12,18-21H,2-4,13H2,1H3/t18-,19-,20-,21+/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)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=CC=C(C=C7)NC(=O)C
InChI: InChI=1S/C39H47N3O5S/c1-24-35(23-48-34-13-11-33(12-14-34)41-25(2)44)46-37(47-36(24)31-7-5-27(22-43)6-8-31)32-9-3-26(4-10-32)21-40-38(45)42-39-18-28-15-29(19-39)17-30(16-28)20-39/h3-14,24,28-30,35-37,43H,15-23H2,1-2H3,(H,41,44)(H2,40,42,45)/t24-,28?,29?,30?,35+,36+,37+,39?/m1/s1
SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@@H]3CCN(C[C@@H]3C4=CC=CC=C4)C(=O)C5CCN(CC5)S(=O)(=O)C
InChI: InChI=1S/C28H34F3N7O4S/c1-42-25-9-8-22(38-27(28(29,30)31)33-34-35-38)16-21(25)17-32-24-12-13-36(18-23(24)19-6-4-3-5-7-19)26(39)20-10-14-37(15-11-20)43(2,40)41/h3-9,16,20,23-24,32H,10-15,17-18H2,1-2H3/t23-,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC
InChI: InChI=1S/C19H27NO6/c1-12-7-5-6-8-14(12)20-16(21)11-26-19(22)13-9-10-15(23-2)18(25-4)17(13)24-3/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,21)/t12-,14+/m1/s1
SMILES: CC1=C(C=CC(=C1Cl)Br)NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C18H16BrClN2O3/c1-8-12(5-4-11(19)16(8)20)21-13(23)7-22-17(24)14-9-2-3-10(6-9)15(14)18(22)25/h2-5,9-10,14-15H,6-7H2,1H3,(H,21,23)/t9-,10+,14-,15-/m1/s1
SMILES: C1CCC(C1)C(=O)N(CC2=CC=CC=C2F)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO
InChI: InChI=1S/C28H32FIN2O5/c29-21-10-4-3-9-19(21)17-32(28(36)18-7-1-2-8-18)23-15-20(27(35)31-13-14-33)16-25(26(23)34)37-24-12-6-5-11-22(24)30/h3-6,9-12,16,18,23,25-26,33-34H,1-2,7-8,13-15,17H2,(H,31,35)/t23-,25+,26+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3(CC(C=C3)OS(=O)(=O)O)C#N)O)O)O)O)O)O
InChI: InChI=1S/C18H27NO14S/c1-7-10(20)12(22)14(24)16(30-7)29-5-9-11(21)13(23)15(25)17(31-9)32-18(6-19)3-2-8(4-18)33-34(26,27)28/h2-3,7-17,20-25H,4-5H2,1H3,(H,26,27,28)/t7-,8?,9-,10-,11-,12+,13+,14+,15-,16-,17+,18?/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H33N5O10/c1-36-25(33(44)39(35(36)46)18-8-6-5-7-9-18)17-24-21(30(36)22-11-10-20(51-4)16-28(22)42)12-13-23-29(24)34(45)38(32(23)43)19-14-26(40(47)48)31(37(2)3)27(15-19)41(49)50/h5-12,14-16,23-25,29-30,42H,13,17H2,1-4H3/t23-,24+,25-,29-,30+,36+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](N3CC[C@@H]([C@@H]3[C@@H]2O1)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H47NO4Si2/c1-21(2,3)29(9,10)25-15-16-19-20(27-23(7,8)26-19)18-17(13-14-24(16)18)28-30(11,12)22(4,5)6/h16-20H,13-15H2,1-12H3/t16-,17+,18-,19-,20+/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)OC5=CC(=C(C=C5)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCC(C)(C)C
InChI: InChI=1S/C48H68N2O10/c1-10-22-50(45(54)56-31-46(3,4)5)42-29-39(49-60-47(6,7)8)37-27-32(16-12-14-23-51)36(17-13-15-24-52)43-38-28-35(58-34-18-20-40(55-9)33(26-34)30-53)19-21-41(38)59-48(42,44(37)43)57-25-11-2/h11,18-21,26-28,30,32,36,42-44,51-52H,2,10,12-17,22-25,29,31H2,1,3-9H3/t32-,36+,42-,43+,44+,48+/m0/s1
SMILES: CC(C)C[C@H]1[C@@H](OC(N1C(=O)OC(C)(C)C)(C)C)C2=NC=CS2
InChI: InChI=1S/C17H28N2O3S/c1-11(2)10-12-13(14-18-8-9-23-14)21-17(6,7)19(12)15(20)22-16(3,4)5/h8-9,11-13H,10H2,1-7H3/t12-,13+/m0/s1
SMILES: CC(C)OC[C@@H]1[C@@H]2[C@@H]([C@@H]([C@@H](O1)OCC(=O)O)OCC3=CC=CC=C3)O[C@]4(CCCC[C@@]4(O2)OC)OC
InChI: InChI=1S/C26H38O10/c1-17(2)31-15-19-21-22(36-26(30-4)13-9-8-12-25(26,29-3)35-21)23(24(34-19)33-16-20(27)28)32-14-18-10-6-5-7-11-18/h5-7,10-11,17,19,21-24H,8-9,12-16H2,1-4H3,(H,27,28)/t19-,21-,22+,23+,24-,25+,26+/m1/s1
SMILES: CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C39H70O4Si2/c1-15-41-36(40)20-16-18-28(2)33-23-24-34-30(19-17-25-39(33,34)10)21-22-31-26-32(42-44(11,12)37(4,5)6)27-35(29(31)3)43-45(13,14)38(7,8)9/h21-22,28,32-35H,3,15-20,23-27H2,1-2,4-14H3/b30-21+,31-22+/t28-,32-,33-,34+,35+,39-/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)C4=CC=CC=C4)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C35H42N2O6/c1-23-30(21-37-19-9-14-29(37)33(40)43-35(2,3)4)41-34(42-31(23)25-17-15-24(22-38)16-18-25)27-12-8-13-28(20-27)36-32(39)26-10-6-5-7-11-26/h5-8,10-13,15-18,20,23,29-31,34,38H,9,14,19,21-22H2,1-4H3,(H,36,39)/t23-,29+,30+,31+,34+/m1/s1
SMILES: C[C@]1(CC[C@@H]2[C@]3(CCC[C@@]([C@@H]3CC[C@]24[C@H]1O4)(C)C(=O)OC)C)C=C
InChI: InChI=1S/C21H32O3/c1-6-18(2)12-8-15-19(3)10-7-11-20(4,17(22)23-5)14(19)9-13-21(15)16(18)24-21/h6,14-16H,1,7-13H2,2-5H3/t14-,15-,16+,18-,19+,20-,21-/m1/s1
SMILES: C[C@@]12[C@@H]3[C@@H]([C@@H]3C(=O)N1[C@H](CO2)C(C)(C)C)C=C
InChI: InChI=1S/C14H21NO2/c1-6-8-10-11(8)14(5)15(12(10)16)9(7-17-14)13(2,3)4/h6,8-11H,1,7H2,2-5H3/t8-,9-,10+,11-,14-/m1/s1
SMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3.CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChI: InChI=1S/C25H38O5.C19H20N2O3S/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCSC
InChI: InChI=1S/C18H24N2O4S/c1-4-9-23-14-8-6-5-7-13(14)16-15(12(2)19-18(22)20-16)17(21)24-10-11-25-3/h5-8,15-16H,2,4,9-11H2,1,3H3,(H2,19,20,22)/t15-,16-/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)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NN=NN5C6=CC=CC=C6
InChI: InChI=1S/C34H28F5N5O4S/c1-18-24(17-49-34-41-42-43-44(34)23-5-3-2-4-6-23)47-33(48-31(18)21-11-9-20(16-45)10-12-21)22-13-7-19(8-14-22)15-40-32(46)25-26(35)28(37)30(39)29(38)27(25)36/h2-14,18,24,31,33,45H,15-17H2,1H3,(H,40,46)/t18-,24+,31+,33+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]([C@@H]3CC=C2C1)CCC4=NNC(=O)N)C)C
InChI: InChI=1S/C22H33N3O3/c1-13(26)28-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(24-25-20(23)27)22(17,3)11-9-18(16)21/h4,15-18H,5-12H2,1-3H3,(H3,23,25,27)/t15-,16-,17+,18-,21-,22-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)CN(C)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C22H35N3O2/c1-14-10-16(3)22(17(4)11-14)24-21(27)13-25(6)12-20(26)23-19-9-7-8-15(2)18(19)5/h10-11,15,18-19H,7-9,12-13H2,1-6H3,(H,23,26)(H,24,27)/t15-,18-,19-/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1C[C@H](C2)O)CC[C@@H]4[C@@]3(CCCC4)C
InChI: InChI=1S/C19H32O/c1-18-10-8-16-15(17(18)11-14(20)12-18)7-6-13-5-3-4-9-19(13,16)2/h13-17,20H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CC(=C)C(=O)N)C
InChI: InChI=1S/C35H35N6O3P/c1-23(32(36)42)19-24-20-28(31-30(24)43-35(2,3)44-31)41-22-39-29-33(37-21-38-34(29)41)40-45(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,21-22,24,28,30-31H,1,19-20H2,2-3H3,(H2,36,42)/t24-,28+,30+,31-/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O
InChI: InChI=1S/C21H25N7O5/c1-32-13-5-3-2-4-12(13)26-6-8-27(9-7-26)20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(22)23-10-24-19(14)28/h2-5,10-11,15-17,21,29-30H,6-9H2,1H3,(H2,22,23,24)/t15-,16+,17-,21+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3CN4CCCC4)NC(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl
InChI: InChI=1S/C35H36ClN3O2/c36-29-16-13-25-21-27(12-11-26(25)22-29)34(40)38-33-10-4-3-9-32(33)35(41)37-30-17-14-24(15-18-30)31-8-2-1-7-28(31)23-39-19-5-6-20-39/h1-2,7-8,11-18,21-22,32-33H,3-6,9-10,19-20,23H2,(H,37,41)(H,38,40)/t32-,33+/m0/s1
SMILES: C[C@H](CSC1=NC2=CC=CC=C2O1)NC3=C4C(=NC(=N3)Cl)N([14CH]=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C20H21ClN6O5S/c1-9(7-33-20-24-10-4-2-3-5-11(10)32-20)23-16-13-17(26-19(21)25-16)27(8-22-13)18-15(30)14(29)12(6-28)31-18/h2-5,8-9,12,14-15,18,28-30H,6-7H2,1H3,(H,23,25,26)/t9-,12-,14-,15-,18-/m1/s1/i8+2
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N5CCCC5=N4
InChI: InChI=1S/C23H27N3O4/c27-21(25-11-3-6-15-5-1-2-7-19(15)25)14-30-23(29)16-9-10-17-18(13-16)24-20-8-4-12-26(20)22(17)28/h9-10,13,15,19H,1-8,11-12,14H2/t15-,19+/m0/s1
SMILES: C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CCC(CCCC3=COC=C3)COS(=O)(=O)O)CCCC2=C)C
InChI: InChI=1S/C25H40O5S/c1-19-7-5-10-23-24(19,3)14-11-20(2)25(23,4)15-12-21(18-30-31(26,27)28)8-6-9-22-13-16-29-17-22/h13,16-17,20-21,23H,1,5-12,14-15,18H2,2-4H3,(H,26,27,28)/t20-,21?,23+,24-,25+/m1/s1
SMILES: C[C@@]12CCCC([C@H]1C[C@@H]([C@]3([C@]24[C@H](O4)C[C@H]3C5=CC=CC=C5)C)O)(C)C
InChI: InChI=1S/C23H32O2/c1-20(2)11-8-12-21(3)17(20)14-18(24)22(4)16(13-19-23(21,22)25-19)15-9-6-5-7-10-15/h5-7,9-10,16-19,24H,8,11-14H2,1-4H3/t16-,17+,18-,19+,21+,22-,23-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC[C@H]1[C@@H](C[C@H]2[C@@H]1C(=O)C=C2)/C=C\CCC3=CC(=O)OC(O3)(C)C
InChI: InChI=1S/C29H46O5Si/c1-19(2)35(20(3)4,21(5)6)32-16-15-25-22(17-23-13-14-26(30)28(23)25)11-9-10-12-24-18-27(31)34-29(7,8)33-24/h9,11,13-14,18-23,25,28H,10,12,15-17H2,1-8H3/b11-9-/t22-,23+,25+,28+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CN(C(=O)C)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H34N3O13PS/c1-14(30)27-23-25(40-17(4)33)24(39-16(3)32)21(41-26(23)42-43(34,35)36)13-29(15(2)31)44(37,38)22-12-8-9-18-19(22)10-7-11-20(18)28(5)6/h7-12,21,23-26H,13H2,1-6H3,(H,27,30)(H2,34,35,36)/t21-,23-,24-,25-,26-/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@@H]([C@H](C2=CC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H42O3Si2/c1-15-16-12-13-19(24-26(8,9)21(2,3)4)20(17(16)14-18(15)23)25-27(10,11)22(5,6)7/h14-16,19-20H,12-13H2,1-11H3/t15-,16-,19-,20-/m0/s1
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)O)C
InChI: InChI=1S/C19H17Cl2N3O5S.C19H23N3O4S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);5-9,11-13,16,20H,1-4H3,(H,25,26)/t13-,14+,17-;11?,12-,13+,16-/m11/s1
SMILES: CC(C)CO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C18H29NO9/c1-9(2)7-25-18-15(19-10(3)20)17(27-13(6)23)16(26-12(5)22)14(28-18)8-24-11(4)21/h9,14-18H,7-8H2,1-6H3,(H,19,20)/t14-,15-,16+,17-,18-/m0/s1
SMILES: CC[C@@H]1C[C@H]2[C@@]3(CCN2)C4=CC=CC=C4NC3=C1C(=O)OC
InChI: InChI=1S/C18H22N2O2/c1-3-11-10-14-18(8-9-19-14)12-6-4-5-7-13(12)20-16(18)15(11)17(21)22-2/h4-7,11,14,19-20H,3,8-10H2,1-2H3/t11-,14+,18-/m1/s1
SMILES: C[C@H]1[C@@H]2CN(C3=C([C@@H]2N(O1)C)C(=O)OC4=CC=CC=C43)CC5=CC=CC=C5
InChI: InChI=1S/C22H22N2O3/c1-14-17-13-24(12-15-8-4-3-5-9-15)21-16-10-6-7-11-18(16)26-22(25)19(21)20(17)23(2)27-14/h3-11,14,17,20H,12-13H2,1-2H3/t14-,17-,20+/m0/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+]CC[NH+]4CCOCC4
InChI: InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)26-19)14-22-6-7-23-8-10-25-11-9-23/h16-19,22H,1,3-14H2,2H3/p+2/t16-,17-,18+,19-,21-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CC(=O)NC(CC(=O)O)[C@@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)OC)NC(=O)OC(C)(C)C)OC)C
InChI: InChI=1S/C27H44N2O13/c1-25(2,3)42-24(33)29-12(16-18(34-8)20-22(36-16)40-26(4,5)38-20)10-14(30)28-13(11-15(31)32)17-19(35-9)21-23(37-17)41-27(6,7)39-21/h12-13,16-23H,10-11H2,1-9H3,(H,28,30)(H,29,33)(H,31,32)/t12?,13?,16-,17-,18+,19+,20-,21-,22-,23-/m1/s1
SMILES: C[C@@H]1[C@@H](OP2(O1)(O[C@@H]([C@@H](O2)C)C)CN3CCCCC3)C
InChI: InChI=1S/C14H28NO4P/c1-11-12(2)17-20(16-11,18-13(3)14(4)19-20)10-15-8-6-5-7-9-15/h11-14H,5-10H2,1-4H3/t11-,12+,13-,14+
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(CCCC4)C)C
InChI: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22-,23+,24-,25-,26-,27+/m0/s1
SMILES: C\1C/C=C\CC[C@H]2[C@H](C2C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)CC/C=C1
InChI: InChI=1S/C20H24N2O4/c23-18-13-14(22(25)26)11-12-17(18)21-20(24)19-15-9-7-5-3-1-2-4-6-8-10-16(15)19/h3-6,11-13,15-16,19,23H,1-2,7-10H2,(H,21,24)/b5-3-,6-4+/t15-,16+,19?/m0/s1
SMILES: C1CC2CCC1[C@@H]([C@@H]2C(=O)[O-])C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H25FN2O5S/c21-15-5-7-16(8-6-15)29(27,28)23-11-9-22(10-12-23)19(24)17-13-1-3-14(4-2-13)18(17)20(25)26/h5-8,13-14,17-18H,1-4,9-12H2,(H,25,26)/p-1/t13?,14?,17-,18+/m0/s1