EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC=C(C7=CC=CC=C67)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=C)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C45H35Cl2N3O6/c1-3-24-8-13-27(14-9-24)49-41(52)33-18-17-32-34(39(33)43(49)54)23-35-42(53)50(48-37-20-12-26(46)22-36(37)47)44(55)45(35,25-10-15-28(56-2)16-11-25)40(32)31-19-21-38(51)30-7-5-4-6-29(30)31/h3-17,19-22,33-35,39-40,48,51H,1,18,23H2,2H3/t33-,34+,35-,39-,40-,45+/m0/s1
SMILES: C[C@]1([C@H](CC[C@@H]([C@@H]1CO[Si](C)(C)C(C)(C)C)OCOC)OC(C)(C)C)CC=O
InChI: InChI=1S/C22H44O5Si/c1-20(2,3)27-19-12-11-18(25-16-24-8)17(22(19,7)13-14-23)15-26-28(9,10)21(4,5)6/h14,17-19H,11-13,15-16H2,1-10H3/t17-,18-,19-,22-/m0/s1
SMILES: CCCCCCCCCCCCCCCCOCCCCOP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C54H77O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-38-56-39-28-29-40-60-63(55,61-44-50-36-25-18-26-37-50)46-52-54(59-43-49-34-23-17-24-35-49)53(58-42-48-32-21-16-22-33-48)51(62-52)45-57-41-47-30-19-15-20-31-47/h15-26,30-37,51-54H,2-14,27-29,38-46H2,1H3/t51-,52+,53-,54-,63?/m1/s1
SMILES: CC(=O)C1=CC(=CC=C1)N2C(=S)N(N=N2)[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4
InChI: InChI=1S/C15H14N4O4S/c1-8(20)9-3-2-4-10(5-9)18-15(24)19(17-16-18)11-6-12(21)14-22-7-13(11)23-14/h2-5,11,13-14H,6-7H2,1H3/t11-,13+,14+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)[C@H](C(=O)O)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H31N3O7/c1-35-29-27(38-19-22-15-9-4-10-16-22)26(37-18-21-13-7-3-8-14-21)25(36-17-20-11-5-2-6-12-20)24(39-29)23(28(33)34)31-32-30/h2-16,23-27,29H,17-19H2,1H3,(H,33,34)/t23-,24-,25-,26+,27-,29+/m1/s1
SMILES: CCC1=NC2=CC=CC=C2N1CC(=O)NNC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C20H26N4O2/c1-2-18-21-16-5-3-4-6-17(16)24(18)12-20(26)23-22-19(25)11-15-10-13-7-8-14(15)9-13/h3-6,13-15H,2,7-12H2,1H3,(H,22,25)(H,23,26)/t13-,14+,15-/m0/s1
SMILES: C1CC12CN(C[C@@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F
InChI: InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13-/m0/s1
SMILES: CC(=O)OC[C@@H]1C[C@H](C[C@@H]1CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C15H30O4Si/c1-11(16)18-9-12-7-14(17)8-13(12)10-19-20(5,6)15(2,3)4/h12-14,17H,7-10H2,1-6H3/t12-,13+,14+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)N(C)CC1=CC=CC=C1)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C21H26N2O5/c1-14(23-19(25)16-10-6-7-11-17(16)20(23)26)21(27)28-13-18(24)22(2)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3/t14-,16+,17+/m0/s1
SMILES: CC(=C)[C@@H]1CO[C@H]([C@@H]2[C@H]1OC(O2)(C)C)[C@@H](CCCC=C)O
InChI: InChI=1S/C17H28O4/c1-6-7-8-9-13(18)15-16-14(20-17(4,5)21-16)12(10-19-15)11(2)3/h6,12-16,18H,1-2,7-10H2,3-5H3/t12-,13+,14-,15-,16-/m0/s1
SMILES: COC1=CC=CC=C1CC2=N[C@@H]3[C@H]4CC[C@@H]([C@@H]3C(O2)(C5=CC=CC=C5)C6=CC=CC=C6)O4
InChI: InChI=1S/C28H27NO3/c1-30-22-15-9-8-10-19(22)18-25-29-27-24-17-16-23(31-24)26(27)28(32-25,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,23-24,26-27H,16-18H2,1H3/t23-,24+,26-,27+/m0/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)O)C)C)C(C)C
InChI: InChI=1S/C29H51O4P/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(33-34(30,31)32)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3,(H2,30,31,32)/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: C1C[C@H]([C@@H]2[C@@H]([C@@H](C[NH+]2C1)O)O)O.[Cl-]
InChI: InChI=1S/C8H15NO3.ClH/c10-5-2-1-3-9-4-6(11)8(12)7(5)9;/h5-8,10-12H,1-4H2;1H/t5-,6-,7-,8-;/m1./s1
SMILES: CCN1C(=O)C(=O)N(C1=O)CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C
InChI: InChI=1S/C15H22N4O5/c1-3-18-12(21)13(22)19(15(18)24)8-11(20)17-14(23)16-10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3,(H2,16,17,20,23)/t9-,10+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O)C)OC(=O)C)C)OC(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C42H53NO14Si/c1-9-58(10-2,11-3)57-30-21-31-41(23-52-31,56-38(48)54-28-19-17-27(18-20-28)43(50)51)34-36(55-37(47)26-15-13-12-14-16-26)42(49)22-29(45)24(4)32(39(42,6)7)33(53-25(5)44)35(46)40(30,34)8/h12-20,29-31,33-34,36,45,49H,9-11,21-23H2,1-8H3/t29-,30-,31+,33+,34-,36-,40+,41-,42+/m0/s1
SMILES: CN1[C@@H]2CC3(C[C@H]1[C@@H]([C@@H]2O)O)C(=O)NC(=O)N3
InChI: InChI=1S/C10H15N3O4/c1-13-4-2-10(8(16)11-9(17)12-10)3-5(13)7(15)6(4)14/h4-7,14-15H,2-3H2,1H3,(H2,11,12,16,17)/t4-,5+,6-,7+,10?
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)N[C@H](CC4=CC=CC=C4)C(=O)C)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C43H49N5O6/c1-29-38(26-47-22-20-43(21-23-47)41(51)44-28-48(43)36-14-7-4-8-15-36)53-40(54-39(29)33-18-16-32(27-49)17-19-33)34-12-9-13-35(25-34)45-42(52)46-37(30(2)50)24-31-10-5-3-6-11-31/h3-19,25,29,37-40,49H,20-24,26-28H2,1-2H3,(H,44,51)(H2,45,46,52)/t29-,37+,38+,39+,40?/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2
InChI: InChI=1S/C23H31NO4/c1-16-6-2-5-9-20(16)24-22(26)15-28-23(27)13-12-21(25)19-11-10-17-7-3-4-8-18(17)14-19/h10-11,14,16,20H,2-9,12-13,15H2,1H3,(H,24,26)/t16-,20+/m0/s1
SMILES: [B-]12([C@@H]3CCCN3C(=O)[C@@H](N1)C)O[C@@H]4C[C@@H]5C[C@H]([C@@]4(O2)C)C5(C)C
InChI: InChI=1S/C17H28BN2O3/c1-10-15(21)20-7-5-6-14(20)18(19-10)22-13-9-11-8-12(16(11,2)3)17(13,4)23-18/h10-14,19H,5-9H2,1-4H3/q-1/t10-,11-,12-,13+,14-,17-,18?/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](N[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)CN5C6=CC=CC=C6N=N5)C
InChI: InChI=1S/C42H65N9O10/c1-11-32-42(7)36(50(40(56)61-42)19-15-14-18-49-21-28(44-46-49)22-51-30-17-13-12-16-29(30)45-47-51)27(5)43-24(2)20-41(6,57-10)37(25(3)34(53)26(4)38(55)59-32)60-39-35(54)33(48(8)9)31(52)23-58-39/h12-13,16-17,21,24-27,31-33,35-37,39,43,52,54H,11,14-15,18-20,22-23H2,1-10H3/t24-,25+,26-,27-,31-,32-,33-,35-,36-,37-,39+,41+,42-/m1/s1
SMILES: CO[C@@H]1[C@@H]2[C@@H]3[C@@H](CC[C@@H]([C@@H]3[C@H]([C@@H]1OC)O2)O)O
InChI: InChI=1S/C12H20O5/c1-15-11-9-7-5(13)3-4-6(14)8(7)10(17-9)12(11)16-2/h5-14H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11-,12+
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)O)/C)/C
InChI: InChI=1S/C41H65N3O7Si2/c1-26(2)52(27(3)4)48-25-34-38(50-53(51-52,28(5)6)29(7)8)37(46)39(49-34)44-23-21-35(43-40(44)47)42-36(45)24-31(10)17-14-16-30(9)19-20-33-32(11)18-15-22-41(33,12)13/h14,16-17,19-21,23-24,26-29,34,37-39,46H,15,18,22,25H2,1-13H3,(H,42,43,45,47)/b17-14+,20-19+,30-16+,31-24+/t34-,37+,38-,39-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C(C3=CC=CC=C32)O)O)O)O)O
InChI: InChI=1S/C15H16O7/c16-9-5-11(7-3-1-2-4-8(7)12(9)18)22-15-14(20)13(19)10(17)6-21-15/h1-5,10,13-20H,6H2/t10-,13+,14-,15+/m1/s1
SMILES: C[C@]12CC[C@]3(CC(=O)OC3)O[C@]1([C@H]([C@@H]([C@@]4([C@@H]2CCCC4=C)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C34H38O7/c1-22-12-11-17-25-31(2)18-19-34(20-26(35)38-21-34)41-33(31,4)28(40-30(37)24-15-9-6-10-16-24)27(32(22,25)3)39-29(36)23-13-7-5-8-14-23/h5-10,13-16,25,27-28H,1,11-12,17-21H2,2-4H3/t25-,27+,28+,31-,32+,33+,34-/m1/s1
SMILES: C/C=C\1/CN2[C@H](C[C@@]34C5=C(C=CC(=C5)OC)N=C3C2C[C@@H]1[C@@]4(COC(=O)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)OC)OC
InChI: InChI=1S/C33H38N2O9/c1-8-18-16-35-24-14-21(18)33(31(37)43-7,17-44-30(36)19-11-25(39-3)28(42-6)26(12-19)40-4)32(15-27(35)41-5)22-13-20(38-2)9-10-23(22)34-29(24)32/h8-13,21,24,27H,14-17H2,1-7H3/b18-8-/t21-,24?,27-,32+,33-/m0/s1
SMILES: CC1=C(C2=CC=CC=C2N1)[C@@H]3[C@@H](C3(C)C)CCNC(=S)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C24H29N3OS/c1-15-21(18-7-5-6-8-20(18)26-15)22-19(24(22,2)3)13-14-25-23(29)27-16-9-11-17(28-4)12-10-16/h5-12,19,22,26H,13-14H2,1-4H3,(H2,25,27,29)/t19-,22-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C53H56O9/c1-39-47(55-33-41-22-10-3-11-23-41)49(57-35-43-26-14-5-15-27-43)51(59-37-45-30-18-7-19-31-45)53(61-39)62-52-50(58-36-44-28-16-6-17-29-44)48(56-34-42-24-12-4-13-25-42)46(38-60-52)54-32-40-20-8-2-9-21-40/h2-31,39,46-53H,32-38H2,1H3/t39-,46+,47-,48-,49+,50+,51+,52-,53+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)N[C@H](C(=O)N2)CC(=O)N3CCC4=CC=CC=C4C3
InChI: InChI=1S/C19H25N3O2/c23-18(22-10-9-13-5-1-2-6-14(13)12-22)11-17-19(24)21-16-8-4-3-7-15(16)20-17/h1-2,5-6,15-17,20H,3-4,7-12H2,(H,21,24)/t15-,16+,17+/m1/s1
SMILES: CC1=C(C=CC(=C1)OC)C2=CC3=C4C(=C2)NCCCN4[C@@H]5[C@H]3CNCC5
InChI: InChI=1S/C22H27N3O/c1-14-10-16(26-2)4-5-17(14)15-11-18-19-13-23-8-6-21(19)25-9-3-7-24-20(12-15)22(18)25/h4-5,10-12,19,21,23-24H,3,6-9,13H2,1-2H3/t19-,21-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4CCC(C4)C5=CC=C(C=C5)Cl)CCC6[C@@]3(C=CC(=O)N6)C
InChI: InChI=1S/C30H39ClN2O2/c1-29-15-13-24-22(9-12-26-30(24,2)16-14-27(34)33-26)23(29)10-11-25(29)28(35)32-21-8-5-19(17-21)18-3-6-20(31)7-4-18/h3-4,6-7,14,16,19,21-26H,5,8-13,15,17H2,1-2H3,(H,32,35)(H,33,34)/t19?,21?,22-,23-,24-,25+,26?,29-,30+/m0/s1
SMILES: C[C@@H]1CC(=CC[C@@H]1CN(CCC[NH+](C)C)C(=O)C)CCC=C(C)C
InChI: InChI=1S/C21H38N2O/c1-17(2)9-7-10-20-11-12-21(18(3)15-20)16-23(19(4)24)14-8-13-22(5)6/h9,11,18,21H,7-8,10,12-16H2,1-6H3/p+1/t18-,21-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)O[C@@H]2[C@H]3C=C[C@H](O3)CC2=O
InChI: InChI=1S/C15H16O3/c1-10(11-5-3-2-4-6-11)17-15-13(16)9-12-7-8-14(15)18-12/h2-8,10,12,14-15H,9H2,1H3/t10-,12-,14+,15-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C2=CC=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H30N4O10/c1-16(36)41-15-25-27(42-17(2)37)28(43-18(3)38)29(44-19(4)39)31(45-25)32-30(40)21-9-12-22(13-10-21)35-33-24-14-11-20-7-5-6-8-23(20)26(24)34-35/h5-14,25,27-29,31H,15H2,1-4H3,(H,32,40)/t25-,27-,28+,29-,31-/m1/s1
SMILES: C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)[Se]CC3=CC=CC=C3)O)O
InChI: InChI=1S/C23H32O4Se/c1-16-8-4-2-7-11-18-12-19(24)13-20(18)23(26)21(14-22(25)27-16)28-15-17-9-5-3-6-10-17/h3,5-7,9-11,16,18-21,23-24,26H,2,4,8,12-15H2,1H3/b11-7+/t16-,18+,19-,20+,21+,23-/m0/s1
SMILES: C#CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C16H13N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h1,5,10,14H,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)NCCC(=O)O
InChI: InChI=1S/C24H24N2O5/c1-31-24(30)15-7-5-14(6-8-15)22-18-4-2-3-17(18)19-13-16(9-10-20(19)26-22)23(29)25-12-11-21(27)28/h2-3,5-10,13,17-18,22,26H,4,11-12H2,1H3,(H,25,29)(H,27,28)/t17-,18-,22-/m0/s1
SMILES: C[C@]1([C@H](CCC(O1)(C)C)OCC2=CC=CC=C2)[C@@H](CO)I
InChI: InChI=1S/C17H25IO3/c1-16(2)10-9-15(17(3,21-16)14(18)11-19)20-12-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14-,15+,17-/m1/s1
SMILES: COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3)OC
InChI: InChI=1S/C20H27NO5/c1-24-15-9-10-16(18(12-15)25-2)20(23)26-13-19(22)21-11-5-7-14-6-3-4-8-17(14)21/h9-10,12,14,17H,3-8,11,13H2,1-2H3/t14-,17+/m1/s1
SMILES: CC(=C=CO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C32H34O5/c1-23(2)20-21-33-28-27(35-30-29(28)36-31(3,4)37-30)22-34-32(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,21,27-30H,22H2,1-4H3/t27-,28+,29-,30-/m1/s1
SMILES: CC(=O)O[C@H]\1C[C@H]2[C@@H]3[C@H](/C1=C\[Si](C)(C)C)CCN3CC4=CC5=C(C=C24)OCO5
InChI: InChI=1S/C22H29NO4Si/c1-13(24)27-19-9-17-16-8-21-20(25-12-26-21)7-14(16)10-23-6-5-15(22(17)23)18(19)11-28(2,3)4/h7-8,11,15,17,19,22H,5-6,9-10,12H2,1-4H3/b18-11+/t15-,17+,19-,22-/m0/s1
SMILES: CC(=C)[C@@H]1C[C@H]2CC=C[C@]2(C(=C1)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H32OSi/c1-14(2)15-12-16-10-9-11-19(16,6)17(13-15)20-21(7,8)18(3,4)5/h9,11,13,15-16H,1,10,12H2,2-8H3/t15-,16-,19-/m1/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)C)Cl)Cl)C(=O)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C29H32Cl2N2O8/c1-3-41-20-13-15(8-11-19(20)34)23-16-9-10-17-22(25(38)33(24(17)37)12-6-4-5-7-21(35)36)18(16)14-28(30)26(39)32(2)27(40)29(23,28)31/h8-9,11,13,17-18,22-23,34H,3-7,10,12,14H2,1-2H3,(H,35,36)/t17-,18+,22-,23-,28+,29-/m0/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O3/c1-2-17-15-25-13-12-18(17)14-20(25)16-27-23(26)24-19-8-10-22(11-9-19)28-21-6-4-3-5-7-21/h3-11,17-18,20H,2,12-16H2,1H3,(H,24,26)/t17-,18-,20+/m0/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)CN5CC6(CC5CC(C6)(C)C)C
InChI: InChI=1S/C36H44N2O4/c1-24-31(20-38-23-36(4)19-30(38)18-35(2,3)22-36)41-34(42-32(24)26-15-13-25(21-39)14-16-26)28-11-8-12-29(17-28)37-33(40)27-9-6-5-7-10-27/h5-17,24,30-32,34,39H,18-23H2,1-4H3,(H,37,40)/t24-,30?,31+,32+,34+,36?/m1/s1
SMILES: C[C@H]1[C@@H]([C@@](C[C@H]([C@@]2(C(CC[C@@]13C2C(=O)CC3)C)C)OC(=O)CC(=O)C4=CC=NC=C4)(C)C=C)O
InChI: InChI=1S/C28H37NO5/c1-6-26(4)16-22(34-23(32)15-21(31)19-9-13-29-14-10-19)27(5)17(2)7-11-28(18(3)25(26)33)12-8-20(30)24(27)28/h6,9-10,13-14,17-18,22,24-25,33H,1,7-8,11-12,15-16H2,2-5H3/t17?,18-,22+,24?,25-,26-,27-,28-/m0/s1
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)CC[C@@H](O3)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-20-34-25-16-12-23(13-17-25)29-35-21-28-27(37-29)19-18-26(36-28)22-10-14-24(15-11-22)30(31,32)33/h10-17,26-29H,2-9,18-21H2,1H3/t26-,27+,28-,29-/m1/s1
SMILES: C[C@@H]1[C@@H](O1)C(=O)N(CC(=O)C2CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H23NO3/c1-15-21(26-15)22(25)23(14-19(24)16-12-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,15-16,20-21H,12-14H2,1H3/t15-,21-/m1/s1
SMILES: C1CC(C1)CN2CC[C@]34[C@@H]5C(=O)C=C[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)OCCCC7=CC=CC=C7
InChI: InChI=1S/C30H33NO4/c32-23-12-11-22-18-25-30(34-17-5-10-20-6-2-1-3-7-20)14-13-24(33)28-29(30,26(22)27(23)35-28)15-16-31(25)19-21-8-4-9-21/h1-3,6-7,11-14,21,25,28,32H,4-5,8-10,15-19H2/t25-,28+,29+,30-/m1/s1
SMILES: C[C@H]1CCC[C@]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=CSC(=N3)CN=[N+]=[N-])/C)C
InChI: InChI=1S/C27H40N4O6S/c1-15-8-7-9-27(6)21(37-27)11-19(16(2)10-18-14-38-22(30-18)13-29-31-28)36-23(33)12-20(32)26(4,5)25(35)17(3)24(15)34/h10,14-15,17,19-21,24,32,34H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21+,24-,27-/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C46H41N3O8S/c1-29-38(28-58-46-48-40(32-13-7-3-8-14-32)42(57-46)33-15-9-4-10-16-33)55-44(56-41(29)34-19-17-30(26-50)18-20-34)35-21-23-36(24-22-35)49-39(51)25-37(43(49)52)47-45(53)54-27-31-11-5-2-6-12-31/h2-24,29,37-38,41,44,50H,25-28H2,1H3,(H,47,53)/t29-,37?,38+,41+,44+/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H]([C@H](C4=C3C=C(C=C4OC(=O)C)OC(=O)C)C5=CC(=CC(=C5)OC(=O)C)OC(=O)C)C6=C(O2)C=C(C=C6)OC(=O)C
InChI: InChI=1S/C40H34O13/c1-19(41)47-27-9-7-25(8-10-27)40-39-33-16-31(51-23(5)45)18-35(52-24(6)46)37(33)36(26-13-29(49-21(3)43)15-30(14-26)50-22(4)44)38(39)32-12-11-28(48-20(2)42)17-34(32)53-40/h7-18,36,38-40H,1-6H3/t36-,38+,39+,40-/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)CNC(=O)C4=CN=CC=C4)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C33H32N6O5S/c1-21-29(20-45-33-36-37-38-39(33)27-12-14-28(41)15-13-27)43-32(44-30(21)24-8-6-23(19-40)7-9-24)25-10-4-22(5-11-25)17-35-31(42)26-3-2-16-34-18-26/h2-16,18,21,29-30,32,40-41H,17,19-20H2,1H3,(H,35,42)/t21-,29+,30+,32+/m1/s1
SMILES: CCCN(C[C@@H](CO)O)C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC=CC=C6)C)O
InChI: InChI=1S/C35H49NO5/c1-4-18-36(21-26(39)22-37)23-34(41)15-12-29-32(34,3)14-11-28-31(2)13-10-25(38)19-33(31)16-17-35(28,29)27(20-33)30(40)24-8-6-5-7-9-24/h5-9,16-17,20,25-26,28-29,37-39,41H,4,10-15,18-19,21-23H2,1-3H3/t25?,26-,28+,29+,31+,32-,33-,34+,35+/m0/s1
SMILES: CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O2S/c1-2-12-8-9-14-17(10-12)26-21(18(14)19(22)24)23-20(25)16-11-15(16)13-6-4-3-5-7-13/h3-7,12,15-16H,2,8-11H2,1H3,(H2,22,24)(H,23,25)/t12-,15+,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]1(CCC2=O)O)CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C
InChI: InChI=1S/C19H28O4/c1-17-7-5-13-14(19(17,23)8-6-15(17)21)4-3-11-9-12(20)10-16(22)18(11,13)2/h3,12-14,16,20,22-23H,4-10H2,1-2H3/t12-,13+,14-,16+,17-,18+,19-/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2C[C@@H]3[C@H](CC[C@@]3(C2=O)CCCCC=C)OC(=O)OC
InChI: InChI=1S/C25H32O7/c1-4-5-6-7-13-25-14-12-21(32-24(28)30-3)20(25)15-19(22(25)26)23(27)31-16-17-8-10-18(29-2)11-9-17/h4,8-11,19-21H,1,5-7,12-16H2,2-3H3/t19?,20-,21+,25+/m1/s1
SMILES: CC1=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)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C36H28F6N2O5/c1-17-7-6-10-24(29(17)45)28-22-11-12-23-27(25(22)16-26-31(47)44(33(49)34(26,28)2)20-8-4-3-5-9-20)32(48)43(30(23)46)21-14-18(35(37,38)39)13-19(15-21)36(40,41)42/h3-11,13-15,23,25-28,45H,12,16H2,1-2H3/t23-,25+,26-,27-,28+,34+/m0/s1
SMILES: C[C@H]1CC2=NC(=C([C@H](C2C(=O)[C@@H]1C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C
InChI: InChI=1S/C21H22N2O7/c1-10-9-14-18(19(24)15(10)20(25)29-3)17(16(11(2)22-14)21(26)30-4)12-5-7-13(8-6-12)23(27)28/h5-8,10,15,17-18H,9H2,1-4H3/t10-,15+,17+,18?/m0/s1
SMILES: C[C@H](CCC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)O)C2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C
InChI: InChI=1S/C35H51NO8/c1-20(9-12-30(40)36-27(33(42)43)18-31(41)44-19-21-7-5-4-6-8-21)24-10-11-25-32-26(17-29(39)35(24,25)3)34(2)14-13-23(37)15-22(34)16-28(32)38/h4-8,20,22-29,32,37-39H,9-19H2,1-3H3,(H,36,40)(H,42,43)/t20-,22+,23-,24?,25+,26+,27-,28-,29+,32+,34+,35-/m1/s1
SMILES: C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O
InChI: InChI=1S/C28H24O12/c29-15-4-1-12(2-5-15)28(37)38-11-22-24(34)25(35)26(36)27(40-22)14-8-18(32)23-19(33)10-20(39-21(23)9-14)13-3-6-16(30)17(31)7-13/h1-10,22,24-27,29-32,34-36H,11H2/t22-,24-,25+,26-,27+/m1/s1
SMILES: CCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C27H29ClN2O7/c1-3-22(33)30(13-15-4-6-17(28)7-5-15)20-12-19(27(35)29-8-9-31)23-18-10-16(14-32)11-21(36-2)25(18)37-26(23)24(20)34/h4-7,10-12,14,20,23-24,26,31,34H,3,8-9,13H2,1-2H3,(H,29,35)/t20-,23+,24+,26+/m1/s1
SMILES: CO[P@@]1(=O)[C@H]([C@H]([C@@H](CO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C19H23O6P/c1-22-26(21)19(20)18(24-13-16-10-6-3-7-11-16)17(14-25-26)23-12-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19-,26+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)NC2=CC=C(C=C2)C#N)OC(=O)OCC=C)OC(=O)OCC=C
InChI: InChI=1S/C23H26N2O11/c1-4-10-31-22(28)35-18-17(34-21(27)25-15-8-6-14(12-24)7-9-15)16(13-26)33-20(30-3)19(18)36-23(29)32-11-5-2/h4-9,16-20,26H,1-2,10-11,13H2,3H3,(H,25,27)/t16-,17-,18+,19-,20+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CS6)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC(=CC=C8)C(F)(F)F)C
InChI: InChI=1S/C45H54F3NO5S2/c1-29-6-4-15-42(2)39(37-13-11-30(21-36(50)12-10-29)22-38(37)41(51)34-7-3-8-35(23-34)45(46,47)48)14-16-44(42,52)28-49(56(53,54)40-9-5-17-55-40)27-43-24-31-18-32(25-43)20-33(19-31)26-43/h3,5-9,11,13,17,22-23,31-33,36,39,50,52H,4,10,12,14-16,18-21,24-28H2,1-2H3/t31?,32?,33?,36-,39-,42-,43?,44+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)/C=C/C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H27NO3/c1-13-6-5-7-17(14(13)2)20-19(21)11-9-15-8-10-16(22-3)12-18(15)23-4/h8-14,17H,5-7H2,1-4H3,(H,20,21)/b11-9+/t13-,14+,17-/m0/s1
SMILES: CC1=C[C@@H]2[C@](CC1=O)([C@]3(CC([C@H]([C@@]34CO4)O2)O)C)CO
InChI: InChI=1S/C15H20O5/c1-8-3-11-14(6-16,5-9(8)17)13(2)4-10(18)12(20-11)15(13)7-19-15/h3,10-12,16,18H,4-7H2,1-2H3/t10?,11-,12-,13-,14-,15+/m1/s1
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N[C@@H]3[C@H]([C@@H]([C@@H](O[C@@H]3O)CO)O)O
InChI: InChI=1S/C19H22N2O8S2/c1-28-10-4-2-9(3-5-10)6-12-17(26)21(19(30)31-12)7-13(23)20-14-16(25)15(24)11(8-22)29-18(14)27/h2-6,11,14-16,18,22,24-25,27H,7-8H2,1H3,(H,20,23)/b12-6-/t11-,14+,15+,16+,18-/m0/s1
SMILES: CCC(=O)N1CC[C@H]([C@@H](C1)N(C)C2=NC=NC3=C2C(=CN3)F)C
InChI: InChI=1S/C16H22FN5O/c1-4-13(23)22-6-5-10(2)12(8-22)21(3)16-14-11(17)7-18-15(14)19-9-20-16/h7,9-10,12H,4-6,8H2,1-3H3,(H,18,19,20)/t10-,12-/m1/s1
SMILES: C[Si](C)(CC1=CC[C@H]2[C@H](C1)C(=O)OC2=O)C3=CC=CC=C3
InChI: InChI=1S/C17H20O3Si/c1-21(2,13-6-4-3-5-7-13)11-12-8-9-14-15(10-12)17(19)20-16(14)18/h3-8,14-15H,9-11H2,1-2H3/t14-,15-/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)NCC4=CC=CC=C4)CN(C)[C@H](C)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C37H43N3O5/c1-25-33(23-40(3)26(2)34(42)29-12-8-5-9-13-29)44-36(45-35(25)30-16-14-28(24-41)15-17-30)31-18-20-32(21-19-31)39-37(43)38-22-27-10-6-4-7-11-27/h4-21,25-26,33-36,41-42H,22-24H2,1-3H3,(H2,38,39,43)/t25-,26-,33+,34-,35+,36+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl
InChI: InChI=1S/C18H25ClN2O5S/c1-11-5-4-6-16(12(11)2)21-17(22)10-26-18(23)14-9-13(7-8-15(14)19)27(24,25)20-3/h7-9,11-12,16,20H,4-6,10H2,1-3H3,(H,21,22)/t11-,12+,16-/m0/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)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCC8=CC=C(C=C8)O)O
InChI: InChI=1S/C42H37ClFN3O8/c1-54-28-19-33(49)36(34(20-28)55-2)37-29-15-16-30-35(40(52)46(38(30)50)18-17-22-3-13-27(48)14-4-22)31(29)21-32-39(51)47(45-26-11-9-25(44)10-12-26)41(53)42(32,37)23-5-7-24(43)8-6-23/h3-15,19-20,30-32,35,37,45,48-49H,16-18,21H2,1-2H3/t30-,31+,32-,35-,37+,42+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C25H30O3/c1-17(2)21-15-14-18(3)16-22(21)28-25(27)23(19-10-6-4-7-11-19)24(26)20-12-8-5-9-13-20/h4-13,17-18,21-23H,14-16H2,1-3H3/t18-,21+,22-,23+/m1/s1
SMILES: CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H](C[C@@](O1)(C(=O)OC)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O12/c1-8(18)25-7-13(27-10(3)20)15-14(28-11(4)21)12(26-9(2)19)6-17(23,29-15)16(22)24-5/h12-15,23H,6-7H2,1-5H3/t12-,13-,14-,15-,17-/m1/s1
SMILES: CC(C)(C)O[C@@H]1C[C@H]2CC[C@@H]1[C@@H]2C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C19H29NO/c1-19(2,3)21-17-12-14-8-11-16(17)18(14)13-6-9-15(10-7-13)20(4)5/h6-7,9-10,14,16-18H,8,11-12H2,1-5H3/t14-,16+,17-,18-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C27H18Cl2N2O3/c28-21-14-13-18(15-22(21)29)30-26(32)23-24(20-12-6-8-16-7-4-5-11-19(16)20)31(34-25(23)27(30)33)17-9-2-1-3-10-17/h1-15,23-25H/t23-,24+,25+/m0/s1
SMILES: C[C@@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24N2O3/c1-13(23-20(25)16-10-4-5-11-17(16)21(23)26)19(24)22-18-12-6-8-14-7-2-3-9-15(14)18/h2-5,7,9,13,16-18H,6,8,10-12H2,1H3,(H,22,24)/t13-,16-,17-,18-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H](C2=CC=CC=C2)C(C3=CC=NC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)OC6CCCC6
InChI: InChI=1S/C35H36N2O4/c1-40-30-16-15-26(22-31(30)41-27-12-6-7-13-27)32(23-9-3-2-4-10-23)33(24-17-19-36-20-18-24)35(39)37-34-28-14-8-5-11-25(28)21-29(34)38/h2-5,8-11,14-20,22,27,29,32-34,38H,6-7,12-13,21H2,1H3,(H,37,39)/t29-,32-,33?,34+/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C5CCCC5
InChI: InChI=1S/C21H21NO2/c1-12-6-2-5-9-16(12)22-20(23)18-14-10-11-15(19(18)21(22)24)17(14)13-7-3-4-8-13/h2,5-6,9-11,14-15,18-19H,3-4,7-8H2,1H3/t14-,15+,18+,19-
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@@H]3[C@@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19-,21+,23-,24+,25-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OC(=S)N3C=CN=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H34N2O6S/c1-35-31-30(38-21-26-15-9-4-10-16-26)29(37-20-25-13-7-3-8-14-25)28(40-32(41)34-18-17-33-23-34)27(39-31)22-36-19-24-11-5-2-6-12-24/h2-18,23,27-31H,19-22H2,1H3/t27-,28-,29+,30-,31+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@@H](C/C(=N\O)/C4(C)C)OC)C)C
InChI: InChI=1S/C30H53NO2/c1-19(2)10-9-11-20(3)22-13-14-23-21-12-15-25-28(4,5)26(31-32)18-27(33-8)30(25,7)24(21)16-17-29(22,23)6/h19-25,27,32H,9-18H2,1-8H3/b31-26+/t20-,21+,22-,23+,24+,25+,27-,29-,30-/m1/s1
SMILES: CC(=C)[C@@]1(CCCCCCCCCC[C@@H]1CC(OC)OC)O[Si](C)(C)C
InChI: InChI=1S/C22H44O3Si/c1-19(2)22(25-26(5,6)7)17-15-13-11-9-8-10-12-14-16-20(22)18-21(23-3)24-4/h20-21H,1,8-18H2,2-7H3/t20-,22-/m1/s1