EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)[O-])O)O)O)OP(=O)(O)[O-].[Na+].[Na+]
InChI: InChI=1S/C6H14O12P2.2Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2/t3-,4-,5+,6+;;/m1../s1
SMILES: C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)O
InChI: InChI=1S/C15H14ClNO3/c1-8-3-2-4-10-13(8)15(20)17(14(10)19)11-6-5-9(16)7-12(11)18/h2-3,5-8,10,13,18H,4H2,1H3/t8-,10+,13-/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)C4=CC=CC(=C4)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C52H51N3O7/c1-36-47(33-54(30-37-13-5-2-6-14-37)31-38-15-7-3-8-16-38)61-51(62-49(36)42-25-23-39(34-56)24-26-42)45-22-12-21-44(28-45)43-20-11-19-41(27-43)32-55-48(57)29-46(50(55)58)53-52(59)60-35-40-17-9-4-10-18-40/h2-28,36,46-47,49,51,56H,29-35H2,1H3,(H,53,59)/t36-,46?,47+,49+,51+/m0/s1
SMILES: CC(=C[C@@H]1[C@@H](/C(=C\C[C@@H](/C(=C/CC/C(=C\CO)/C)/C)O)/C(=O)O1)O)C
InChI: InChI=1S/C20H30O5/c1-13(2)12-18-19(23)16(20(24)25-18)8-9-17(22)15(4)7-5-6-14(3)10-11-21/h7-8,10,12,17-19,21-23H,5-6,9,11H2,1-4H3/b14-10-,15-7+,16-8+/t17-,18+,19+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CC[C@@H]([C@](C3CC2)(C)CO)O)C
InChI: InChI=1S/C20H30O2/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)10-9-18(22)20(17,4)12-21/h5,7,11,13,17-18,21-22H,6,8-10,12H2,1-4H3/t17?,18-,19+,20+/m0/s1
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC1C([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3N(C)N)N)(C)O)O)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H32ClN8O8P/c1-11(2)37-19(34)12(3)30-41(36,39-14-8-6-13(24)7-9-14)40-20-16(33)23(4,35)21(38-20)32-10-27-15-17(31(5)26)28-22(25)29-18(15)32/h6-12,16,20-21,33,35H,26H2,1-5H3,(H,30,36)(H2,25,28,29)/t12-,16?,20?,21+,23+,41?/m0/s1
SMILES: CC(C)(/C=C/C=C\1/COC(=O)[C@@H]2[C@@H]1CCC(=C)C(CCC2=C)OO)O
InChI: InChI=1S/C20H28O5/c1-13-7-9-16-15(6-5-11-20(3,4)22)12-24-19(21)18(16)14(2)8-10-17(13)25-23/h5-6,11,16-18,22-23H,1-2,7-10,12H2,3-4H3/b11-5+,15-6-/t16-,17?,18+/m1/s1
SMILES: C1C[C@H]2[C@@H](C3=NC4=CC=CC=C4N3[C@]2(C1)[NH+]5CCOCC5)[NH+]6CCOCC6
InChI: InChI=1S/C21H28N4O2/c1-2-6-18-17(5-1)22-20-19(23-8-12-26-13-9-23)16-4-3-7-21(16,25(18)20)24-10-14-27-15-11-24/h1-2,5-6,16,19H,3-4,7-15H2/p+2/t16-,19-,21-/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)C4=CC=CC(=C4)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7CCN(CC7)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C48H49N5O9/c1-32-43(29-50-21-23-51(24-22-50)40-17-19-41(20-18-40)53(58)59)61-47(62-45(32)36-15-13-33(30-54)14-16-36)39-12-6-11-38(26-39)37-10-5-9-35(25-37)28-52-44(55)27-42(46(52)56)49-48(57)60-31-34-7-3-2-4-8-34/h2-20,25-26,32,42-43,45,47,54H,21-24,27-31H2,1H3,(H,49,57)/t32-,42?,43+,45+,47+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CC=C)N(CC=C)CC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C28H35NO4/c1-5-13-23(29(18-6-2)19-21-14-9-7-10-15-21)24-25(30-20-22-16-11-8-12-17-22)26-27(31-24)33-28(3,4)32-26/h5-12,14-17,23-27H,1-2,13,18-20H2,3-4H3/t23-,24-,25+,26-,27-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@@H]3C4=CC=CC=C4N2
InChI: InChI=1S/C20H19NO2/c1-23-20(22)14-11-9-13(10-12-14)19-17-7-4-6-15(17)16-5-2-3-8-18(16)21-19/h2-6,8-12,15,17,19,21H,7H2,1H3/t15-,17-,19-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC(=C3I)C(=O)N)OC(O2)(C)C
InChI: InChI=1S/C14H18IN3O6/c1-6(19)21-4-7-9-10(24-14(2,3)23-9)13(22-7)18-5-17-8(11(18)15)12(16)20/h5,7,9-10,13H,4H2,1-3H3,(H2,16,20)/t7-,9-,10-,13-/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@@H]([C@@H]1NC(=O)C(F)(F)F)OCOC)OCOC)CO
InChI: InChI=1S/C17H29F3N2O8/c1-16(2,3)30-15(25)22-6-10(7-23)11(28-8-26-4)12(29-9-27-5)13(22)21-14(24)17(18,19)20/h10-13,23H,6-9H2,1-5H3,(H,21,24)/t10-,11-,12+,13-/m1/s1
SMILES: C1C[C@@H]([C@H](C1)O)NC(=O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N[C@@H]5CCOC5)O)O
InChI: InChI=1S/C20H28N6O7/c27-12-3-1-2-11(12)25-20(30)32-7-13-15(28)16(29)19(33-13)26-9-23-14-17(21-8-22-18(14)26)24-10-4-5-31-6-10/h8-13,15-16,19,27-29H,1-7H2,(H,25,30)(H,21,22,24)/t10-,11+,12+,13-,15-,16-,19?/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]([C@H]2C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H20N2O2/c24-20(22-16-7-3-1-4-8-16)18-14-11-12-15(13-14)19(18)21(25)23-17-9-5-2-6-10-17/h1-12,14-15,18-19H,13H2,(H,22,24)(H,23,25)/t14-,15+,18-,19+
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)Cl)O)OC)Cl)C)Cl
InChI: InChI=1S/C30H25Cl3N2O7/c1-13(36)14-4-6-16(7-5-14)35-25(38)18-9-8-17-19(22(18)26(35)39)12-29(32)27(40)34(2)28(41)30(29,33)23(17)15-10-20(31)24(37)21(11-15)42-3/h4-8,10-11,18-19,22-23,37H,9,12H2,1-3H3/t18-,19+,22-,23-,29+,30-/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@@H]2[C@@H]4N1C=CC5=CC=CC=C45
InChI: InChI=1S/C18H17NO4/c1-9(20)15-13-12-8-22-18(23-12)17(21)14(13)16-11-5-3-2-4-10(11)6-7-19(15)16/h2-7,12-16,18H,8H2,1H3/t12-,13-,14+,15-,16-,18-/m1/s1
SMILES: CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76
InChI: InChI=1S/C25H24N4O3S2/c1-13(2)24-22(32)29-20-23(15-9-5-7-11-18(15)27-20,16-12-26-17-10-6-4-8-14(16)17)19(30)25(29,34-33-24)21(31)28(24)3/h4-13,19-20,26-27,30H,1-3H3/t19-,20+,23+,24-,25-/m0/s1
SMILES: C[C@@H](C(=O)N1CCNC1=O)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C16H19N3O6/c1-9(13(21)18-7-6-17-16(18)24)25-12(20)8-19-14(22)10-4-2-3-5-11(10)15(19)23/h2-3,9-11H,4-8H2,1H3,(H,17,24)/t9-,10-,11-/m0/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI: InChI=1S/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(50-30-51-45(41)54)53-46(56)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,42-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6OC)OC)O)C)C7=CC(=C(C=C7)F)Cl)(O)O
InChI: InChI=1S/C35H31BClFN2O9/c1-35-23(32(43)40(34(35)45)18-7-10-25(38)24(37)12-18)15-22-20(30(35)29-26(41)13-19(48-2)14-27(29)49-3)8-9-21-28(22)33(44)39(31(21)42)17-6-4-5-16(11-17)36(46)47/h4-8,10-14,21-23,28,30,41,46-47H,9,15H2,1-3H3/t21-,22+,23-,28-,30+,35+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C19H21FN2O5/c20-12-5-7-13(8-6-12)21-16(23)11-27-17(24)9-10-22-18(25)14-3-1-2-4-15(14)19(22)26/h5-8,14-15H,1-4,9-11H2,(H,21,23)/t14-,15+
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)Br)OS(=O)(=O)N
InChI: InChI=1S/C18H24BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14,17,21H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,17-,18-/m0/s1
SMILES: CC1=C2C(=C(C(=C1F)F)N)C(=O)C(=CN2[C@@H]3C[C@@H]3F)C(=O)O
InChI: InChI=1S/C14H11F3N2O3/c1-4-9(16)10(17)11(18)8-12(4)19(7-2-6(7)15)3-5(13(8)20)14(21)22/h3,6-7H,2,18H2,1H3,(H,21,22)/t6-,7+/m0/s1
SMILES: COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCC[C@H]4[C@H]3CCCC4
InChI: InChI=1S/C20H26N4O2S2/c1-26-17-11-5-3-9-15(17)21-19-22-23-20(28-19)27-13-18(25)24-12-6-8-14-7-2-4-10-16(14)24/h3,5,9,11,14,16H,2,4,6-8,10,12-13H2,1H3,(H,21,22)/t14-,16+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@H]([C@@H]2NS(=O)(=O)C3=CC=C(S3)/C=C/C4=CC=CC=C4)C/C=C\CCCC(=O)O
InChI: InChI=1S/C26H31NO4S2/c28-24(29)11-7-2-1-6-10-23-20-13-14-21(18-20)26(23)27-33(30,31)25-17-16-22(32-25)15-12-19-8-4-3-5-9-19/h1,3-6,8-9,12,15-17,20-21,23,26-27H,2,7,10-11,13-14,18H2,(H,28,29)/b6-1-,15-12+/t20-,21+,23+,26+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@](C[C@H]5O)(C)CO)C)C)C)(C)CO)O
InChI: InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21?,22+,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1
SMILES: C[C@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
InChI: InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9-,11-,12+,15-/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)NCC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3
InChI: InChI=1S/C18H17FN2O2/c19-15-8-4-5-9-16(15)21-17(22)11-20-18(23)14-10-13(14)12-6-2-1-3-7-12/h1-9,13-14H,10-11H2,(H,20,23)(H,21,22)/t13-,14+/m0/s1
SMILES: CC(C)C([C@@H]1[C@@H](N(C(=O)O1)CC2=CC=CC=C2)COC(=O)C)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C29H32NO5P/c1-21(2)28(36(33,24-15-9-5-10-16-24)25-17-11-6-12-18-25)27-26(20-34-22(3)31)30(29(32)35-27)19-23-13-7-4-8-14-23/h4-18,21,26-28H,19-20H2,1-3H3/t26-,27-,28?/m0/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[NH+](C)CC#N)C)OC(=O)C[N+](C)(C)C
InChI: InChI=1S/C27H46N3O2/c1-26-13-11-20(32-25(31)18-30(4,5)6)17-19(26)7-8-21-22-9-10-24(29(3)16-15-28)27(22,2)14-12-23(21)26/h19-24H,7-14,16-18H2,1-6H3/q+1/p+1/t19-,20-,21-,22+,23-,24-,26-,27+/m0/s1
SMILES: CC(C)C(=O)OC/C=C/1\[C@@H]([C@@]2([C@H]([C@H]1O)O2)C)COC(=O)C(C)C
InChI: InChI=1S/C17H26O6/c1-9(2)15(19)21-7-6-11-12(8-22-16(20)10(3)4)17(5)14(23-17)13(11)18/h6,9-10,12-14,18H,7-8H2,1-5H3/b11-6+/t12-,13-,14-,17+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C6=C(C4)C7=C(N6)[C@H]8[C@@]91CCN([C@@H]([C@@]9(C7)O)CC2=C1C(=C(C=C2)O)O8)CC1CC1
InChI: InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23+,26+,33-,34-,35-,36-,37+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-29(45-33(31(32)40)38-22-21-30(39)37-34(38)41)23-44-36(24-11-9-8-10-12-24,25-13-17-27(42-4)18-14-25)26-15-19-28(43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/m1/s1
SMILES: C1[C@@H]2[C@@H](SC3=CC=CC=C3N=C2C4=CC=CC=C4O1)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C23H16F3NOS/c24-23(25,26)15-11-9-14(10-12-15)22-17-13-28-19-7-3-1-5-16(19)21(17)27-18-6-2-4-8-20(18)29-22/h1-12,17,22H,13H2/t17-,22-/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)CC5=CC=CC=C5)O)C
InChI: InChI=1S/C32H48O4/c1-20(10-13-28(34)36-4)24-11-12-25-29-26(15-17-31(24,25)2)32(3)16-14-22(33)19-27(32)23(30(29)35)18-21-8-6-5-7-9-21/h5-9,20,22-27,29-30,33,35H,10-19H2,1-4H3/t20-,22-,23-,24-,25+,26+,27+,29+,30-,31-,32-/m1/s1
SMILES: C[C@H]([C]1[CH][CH][CH][C]1[Se][C@H]2CCCC[C@]2(C3=CC=CC=C3)OC)N(C)C
InChI: InChI=1S/C22H30NOSe/c1-17(23(2)3)19-13-10-14-20(19)25-21-15-8-9-16-22(21,24-4)18-11-6-5-7-12-18/h5-7,10-14,17,21H,8-9,15-16H2,1-4H3/t17-,21+,22-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CCC(=O)[O-]
InChI: InChI=1S/C16H17ClN2O5S2/c1-9-10(17)3-2-4-11(9)19-12-7-26(23,24)8-13(12)25-16(19)18-14(20)5-6-15(21)22/h2-4,12-13H,5-8H2,1H3,(H,21,22)/p-1/t12-,13+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](C(=O)N3C4=CC=CC=C42)CCCC5=CC=CC=C5
InChI: InChI=1S/C25H23NO2/c1-28-18-14-15-20-22(16-18)19-11-5-6-13-23(19)26-24(20)21(25(26)27)12-7-10-17-8-3-2-4-9-17/h2-6,8-9,11,13-16,21,24H,7,10,12H2,1H3/t21-,24-/m1/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)/C=C/C=C/[C@@H](C)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C53H57BO5Si/c1-42(41-57-60(51(2,3)4,47-36-21-11-22-37-47)48-38-23-12-24-39-48)27-25-26-40-54-58-49(52(55-5,43-28-13-7-14-29-43)44-30-15-8-16-31-44)50(59-54)53(56-6,45-32-17-9-18-33-45)46-34-19-10-20-35-46/h7-40,42,49-50H,41H2,1-6H3/b27-25+,40-26+/t42-,49-,50-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H30N2O6/c1-14-6-4-5-7-16(14)22-21(26)23-19(24)13-29-20(25)11-9-15-8-10-17(27-2)18(12-15)28-3/h8,10,12,14,16H,4-7,9,11,13H2,1-3H3,(H2,22,23,24,26)/t14-,16-/m1/s1
SMILES: C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)N(C3=CC=CC=C3)S(=O)(=O)C
InChI: InChI=1S/C17H24N2O3S/c1-12(17(20)18-16-11-13-8-9-14(16)10-13)19(23(2,21)22)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)/t12-,13-,14+,16+/m0/s1
SMILES: C[C@@]1(CCC[C@]23[C@@H]1C[C@@H]4[C@]56[C@H]2[C@@](C[C@H](C5OC(O4)(C)C)C(=C)C6=O)(OC3)O)C=O
InChI: InChI=1S/C23H30O6/c1-12-13-9-22(26)18-21(11-27-22)7-5-6-20(4,10-24)14(21)8-15-23(18,16(12)25)17(13)29-19(2,3)28-15/h10,13-15,17-18,26H,1,5-9,11H2,2-4H3/t13-,14+,15+,17?,18+,20+,21-,22+,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1CC=C2CCCC[C@]23CC[C@H]1O3
InChI: InChI=1S/C19H34O2Si/c1-18(2,3)22(4,5)20-14-15-9-10-16-8-6-7-12-19(16)13-11-17(15)21-19/h10,15,17H,6-9,11-14H2,1-5H3/t15-,17+,19-/m0/s1
SMILES: CN1[C@H]([C@]2([C@@H]3C=C[C@]4([C@H]2[C@H]1[C@H]3COC(=O)C5=CC=CC=C5)C6=CC=CC=C6N(C4=O)COC)C=C)C#N
InChI: InChI=1S/C30H29N3O4/c1-4-29-21-14-15-30(22-12-8-9-13-23(22)33(18-36-3)28(30)35)26(29)25(32(2)24(29)16-31)20(21)17-37-27(34)19-10-6-5-7-11-19/h4-15,20-21,24-26H,1,17-18H2,2-3H3/t20-,21+,24-,25+,26-,29+,30+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H22N2O5/c1-26-18-9-12(10-19(27-2)21(18)28-3)20-15-6-4-5-14(15)16-11-13(23(24)25)7-8-17(16)22-20/h4-5,7-11,14-15,20,22H,6H2,1-3H3/t14-,15-,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OCC[C@H]1CN([C@@H]2[C@H]1CCC2=O)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C23H35NO4Si/c1-23(2,3)29(4,5)28-14-13-18-15-24(21-19(18)11-12-20(21)25)22(26)27-16-17-9-7-6-8-10-17/h6-10,18-19,21H,11-16H2,1-5H3/t18-,19-,21+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2)Cl
InChI: InChI=1S/C17H22ClN3O2/c1-10-6-7-11(8-12(10)18)19-16(22)9-15-17(23)21-14-5-3-2-4-13(14)20-15/h6-8,13-15,20H,2-5,9H2,1H3,(H,19,22)(H,21,23)/t13-,14+,15+/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C15H18Cl2N2O3S/c1-10-9-11(10)15(20)18-5-7-19(8-6-18)23(21,22)13-4-2-3-12(16)14(13)17/h2-4,10-11H,5-9H2,1H3/t10-,11+/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C(=CC=C6)OCC)O)C)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C37H34ClFN2O6/c1-4-19-9-11-20(12-10-19)40-33(43)23-15-14-22-25(30(23)35(40)45)18-26-34(44)41(21-13-16-28(39)27(38)17-21)36(46)37(26,3)31(22)24-7-6-8-29(32(24)42)47-5-2/h6-14,16-17,23,25-26,30-31,42H,4-5,15,18H2,1-3H3/t23-,25+,26-,30-,31+,37+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H18ClN3O6/c1-10-6-15(23)13(14(10)8-22(25)26)7-17(24)27-9-16-20-18(21-28-16)11-2-4-12(19)5-3-11/h2-5,10,13-14H,6-9H2,1H3/t10-,13-,14-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCCOC3=CC=CC=C3
InChI: InChI=1S/C22H24N2O5S/c1-14-19(21(25)29-12-11-28-15-7-5-4-6-8-15)20(24-22(30)23-14)17-13-16(26-2)9-10-18(17)27-3/h4-10,13,19-20H,1,11-12H2,2-3H3,(H2,23,24,30)/t19-,20+/m1/s1
SMILES: C1CCOC(C1)O[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C/[C@H](COC4=CC=CC=C4)OC5CCCCO5)CC(O3)O
InChI: InChI=1S/C27H38O7/c28-25-16-22-21(23(17-24(22)33-25)34-27-11-5-7-15-30-27)13-12-20(32-26-10-4-6-14-29-26)18-31-19-8-2-1-3-9-19/h1-3,8-9,12-13,20-28H,4-7,10-11,14-18H2/b13-12+/t20-,21-,22-,23-,24+,25?,26?,27?/m1/s1
SMILES: CC(=CC[C@H]1C[C@]2(C(C(C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)C(=O)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)C[C@@H](CC=C(C)C)C(=C)C)C
InChI: InChI=1S/C44H62O11/c1-23(2)11-13-28(26(7)8)20-43-21-29(15-12-24(3)4)42(9,10)44(41(43)53,18-17-25(5)6)39(52)33(38(43)51)34(47)27-14-16-31(30(46)19-27)54-40-37(50)36(49)35(48)32(22-45)55-40/h11-12,14,16-17,19,28-29,32-33,35-38,40,45-46,48-51H,7,13,15,18,20-22H2,1-6,8-10H3/t28-,29+,32-,33?,35-,36+,37-,38?,40-,43+,44-/m1/s1
SMILES: C[C@@H]([C@H]1[C@H](CN(O1)CC2=CC=CC=C2)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H33NO4Si/c1-15(25-26(6,7)20(2,3)4)18-17(19(22)23-5)14-21(24-18)13-16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t15-,17-,18-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C=CO[C@H]([C@@H]1C)[C@@H]([C@]2(C[C@@H]([C@H]([C@H](O2)CCCCOCC3=CC=CC=C3)C)O[Si](C)(C)C(C)(C)C)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C44H72O7Si2/c1-12-53(13-2,14-3)51-39-28-30-47-41(35(39)5)42(48-33-37-25-19-16-20-26-37)44(45-9)31-40(50-52(10,11)43(6,7)8)34(4)38(49-44)27-21-22-29-46-32-36-23-17-15-18-24-36/h15-20,23-26,28,30,34-35,38-42H,12-14,21-22,27,29,31-33H2,1-11H3/t34-,35+,38+,39-,40-,41+,42-,44+/m0/s1
SMILES: C[C@@]12CC[C@@H]3C4=C(C=C(C=C4)O)C(=O)C[C@@]3([C@@H]1C[C@H]([C@@H]2O)O)C
InChI: InChI=1S/C19H24O4/c1-18-6-5-13-11-4-3-10(20)7-12(11)15(22)9-19(13,2)16(18)8-14(21)17(18)23/h3-4,7,13-14,16-17,20-21,23H,5-6,8-9H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1
SMILES: COC(=O)C1=C[C@@H]([C@H]2CCCC[C@]2(O1)OC)C3=CC=CC=C3
InChI: InChI=1S/C18H22O4/c1-20-17(19)16-12-14(13-8-4-3-5-9-13)15-10-6-7-11-18(15,21-2)22-16/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/t14-,15-,18-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C)C
InChI: InChI=1S/C28H25NO2/c1-16-13-14-18(15-17(16)2)29-25(30)23-24(26(29)31)28(4)21-11-7-5-9-19(21)27(23,3)20-10-6-8-12-22(20)28/h5-15,23-24H,1-4H3/t23-,24-,27?,28?/m0/s1
SMILES: CN(C[C@H]1C2=C([C@@H]3CCCC[C@H]3O1)SC=C2)S(=O)(=O)C
InChI: InChI=1S/C14H21NO3S2/c1-15(20(2,16)17)9-13-11-7-8-19-14(11)10-5-3-4-6-12(10)18-13/h7-8,10,12-13H,3-6,9H2,1-2H3/t10-,12-,13+/m1/s1
SMILES: CC1([C@@H]([C@H]1C(=O)N=C(N)N)C2=CC(=C(C=C2)F)Br)C
InChI: InChI=1S/C13H15BrFN3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-4-8(15)7(14)5-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)COC(=O)C3=CC=CC=C3)OC(O2)(C)C)OC(=O)C4=CC=CC=C4)N)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C48H63NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-25-32-39(55-45(51)36-28-21-17-22-29-36)38(49)33-54-47-43(57-46(52)37-30-23-18-24-31-37)42-41(58-48(2,3)59-42)40(56-47)34-53-44(50)35-26-19-16-20-27-35/h16-32,38-43,47H,4-15,33-34,49H2,1-3H3/b32-25+/t38-,39+,40+,41-,42-,43+,47+/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](N(C1=O)[Si](C)(C)C(C)(C)C)CC2=CC(=CC=C2)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H45NO3Si2/c1-18(29-31(11,12)25(5,6)7)22-21(17-19-14-13-15-20(16-19)28-8)26(23(22)27)30(9,10)24(2,3)4/h13-16,18,21-22H,17H2,1-12H3/t18-,21+,22+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCC4=CC5=CC=CC=C5N4)C(=O)CCCCC=C)C(=O)NCCO)CO
InChI: InChI=1S/C34H41N3O7/c1-3-4-5-6-11-29(40)37(14-12-23-18-22-9-7-8-10-26(22)36-23)27-19-25(34(42)35-13-15-38)30-24-16-21(20-39)17-28(43-2)32(24)44-33(30)31(27)41/h3,7-10,16-19,27,30-31,33,36,38-39,41H,1,4-6,11-15,20H2,2H3,(H,35,42)/t27-,30+,31+,33+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3
InChI: InChI=1S/C20H22N4O2S2/c1-12-9-13(12)20(26)24-6-4-23(5-7-24)10-16-21-18(25)17-14(11-28-19(17)22-16)15-3-2-8-27-15/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,21,22,25)/p+1/t12-,13+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO4/c23-19-17-11-4-5-12-18(17)20(24)22(19)15-9-6-10-16(13-15)26-21(25)14-7-2-1-3-8-14/h1-3,6-10,13,17-18H,4-5,11-12H2/t17-,18-/m1/s1
SMILES: CCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC(=CC=C3)F)[C@H](C4CCCCC4)C(=O)O)C(=O)NCC5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C34H45Cl2FN4O3/c1-2-41(34(44)38-19-23-11-12-30(35)31(36)17-23)28-13-15-39(16-14-28)20-26-21-40(22-29(26)25-9-6-10-27(37)18-25)32(33(42)43)24-7-4-3-5-8-24/h6,9-12,17-18,24,26,28-29,32H,2-5,7-8,13-16,19-22H2,1H3,(H,38,44)(H,42,43)/t26-,29+,32+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=CC=CC=C3[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C44H39N3O8/c1-27(28-15-5-2-6-16-28)45-43(53)46-33-23-13-12-22-32(33)44(42(46)52)35(40(49)50)37-41(51)55-38(30-19-9-4-10-20-30)36(29-17-7-3-8-18-29)47(37)39(44)31-21-11-14-24-34(31)54-26-25-48/h2-24,27,35-39,48H,25-26H2,1H3,(H,45,53)(H,49,50)/t27-,35+,36+,37+,38-,39-,44+/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N(C)CC1=CC=CC=C1)NC(=S)N[C@@H]2CCCC[C@H]2N(C)C
InChI: InChI=1S/C23H38N4OS/c1-23(2,3)20(21(28)27(6)16-17-12-8-7-9-13-17)25-22(29)24-18-14-10-11-15-19(18)26(4)5/h7-9,12-13,18-20H,10-11,14-16H2,1-6H3,(H2,24,25,29)/t18-,19-,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2[C@@H](O2)[C@@H]([C@H]([C@@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C34H44O5Si/c1-34(2,3)40(4,5)39-33-31(37-23-27-19-13-8-14-20-27)29(36-22-26-17-11-7-12-18-26)28(30-32(33)38-30)24-35-21-25-15-9-6-10-16-25/h6-20,28-33H,21-24H2,1-5H3/t28-,29-,30+,31+,32+,33+/m1/s1
SMILES: C1[C@H]([C@H]([C@H]2[C@@H](O1)N(C2=O)CC3=CC=CC=C3)O)O
InChI: InChI=1S/C13H15NO4/c15-9-7-18-13-10(11(9)16)12(17)14(13)6-8-4-2-1-3-5-8/h1-5,9-11,13,15-16H,6-7H2/t9-,10-,11-,13-/m1/s1
SMILES: CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O
InChI: InChI=1S/C26H24O13/c1-8(27)26(37)6-11-13(12(7-26)38-25-22(34)20(32)21(33)23(39-25)24(35)36)19(31)15-14(18(11)30)16(28)9-4-2-3-5-10(9)17(15)29/h2-5,12,20-23,25,30-34,37H,6-7H2,1H3,(H,35,36)/t12-,20-,21-,22+,23-,25+,26-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C4=C(C=CC(=C4)C(=O)O)N[C@H]3C5=C(C=CC=C5Cl)F
InChI: InChI=1S/C21H19ClFNO2/c22-14-2-1-3-15(23)19(14)20-18-11-5-4-10(8-11)17(18)13-9-12(21(25)26)6-7-16(13)24-20/h1-3,6-7,9-11,17-18,20,24H,4-5,8H2,(H,25,26)/t10-,11+,17+,18+,20+/m0/s1
SMILES: CCCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C24H28N2O4/c1-3-4-8-14-29-23(27)21-17(2)25-24(28)26-22(21)19-12-9-13-20(15-19)30-16-18-10-6-5-7-11-18/h5-7,9-13,15,21-22H,2-4,8,14,16H2,1H3,(H2,25,26,28)/t21-,22+/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(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-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OC)/C#N
InChI: InChI=1S/C18H21BrN2O2/c1-12-5-3-4-6-16(12)21-18(22)14(11-20)9-13-10-15(19)7-8-17(13)23-2/h7-10,12,16H,3-6H2,1-2H3,(H,21,22)/b14-9+/t12-,16-/m1/s1
SMILES: C[C@@H]([C@]12COC(=O)C=C[C@H]1[C@@]3(CC[C@@]4([C@@]([C@H]3[C@@H]([C@@H]2OC(=O)C)O)(CC[C@@]5([C@]4(CC(=C)CC5)O)C)C)C(=O)OC)C)O
InChI: InChI=1S/C32H46O9/c1-18-10-11-27(4)12-14-29(6)24-23(36)25(41-20(3)34)30(19(2)33)17-40-22(35)9-8-21(30)28(24,5)13-15-31(29,26(37)39-7)32(27,38)16-18/h8-9,19,21,23-25,33,36,38H,1,10-17H2,2-7H3/t19-,21-,23-,24-,25-,27+,28-,29+,30+,31-,32-/m0/s1
SMILES: CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H23N3O3/c1-20-17(23)14-9-7-13(8-10-14)11-21(2)12-22-18(24)15-5-3-4-6-16(15)19(22)25/h3-4,7-10,15-16H,5-6,11-12H2,1-2H3,(H,20,23)/t15-,16+
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)O)C
InChI: InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,15-19,23H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
SMILES: C[Si](C)(C)C1=C(N=NN1C[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)C(=O)N3CCOCC3
InChI: InChI=1S/C16H29N5O5Si/c1-27(2,3)16-12(15(25)20-4-6-26-7-5-20)18-19-21(16)8-10-13(23)14(24)11(9-22)17-10/h10-11,13-14,17,22-24H,4-9H2,1-3H3/t10-,11-,13-,14-/m1/s1
SMILES: C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)C[Si](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)(O)O)O
InChI: InChI=1S/C38H42N2O6Si/c41-33-21-27-15-7-9-17-31(27)35(33)39-37(43)29(19-25-11-3-1-4-12-25)23-47(45,46)24-30(20-26-13-5-2-6-14-26)38(44)40-36-32-18-10-8-16-28(32)22-34(36)42/h1-18,29-30,33-36,41-42,45-46H,19-24H2,(H,39,43)(H,40,44)/t29-,30-,33-,34-,35+,36+/m1/s1
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H]1[C@H](N(C1=O)CC(=O)OC)C2=CC=CC=C2)N
InChI: InChI=1S/C20H29N3O4/c1-12(2)10-15(22-19(25)13(3)21)17-18(14-8-6-5-7-9-14)23(20(17)26)11-16(24)27-4/h5-9,12-13,15,17-18H,10-11,21H2,1-4H3,(H,22,25)/t13-,15-,17+,18+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)NC6=C(C(=O)C6=O)OC
InChI: InChI=1S/C36H35N3O9/c1-21-19-39(35(43)38-34(21)42)29-18-27(37-30-31(40)32(41)33(30)46-4)28(48-29)20-47-36(22-8-6-5-7-9-22,23-10-14-25(44-2)15-11-23)24-12-16-26(45-3)17-13-24/h5-17,19,27-29,37H,18,20H2,1-4H3,(H,38,42,43)/t27-,28+,29+/m0/s1
SMILES: COC(=O)C1=C[C@H]2[C@H]3[C@@H]([C@@H]1OC2=O)C(=O)NC3=O
InChI: InChI=1S/C11H9NO6/c1-17-10(15)4-2-3-5-6(7(4)18-11(3)16)9(14)12-8(5)13/h2-3,5-7H,1H3,(H,12,13,14)/t3-,5-,6-,7+/m0/s1