EdisonScientific/glyph-datasets huggingface dataset:
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)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O)O
InChI: InChI=1S/C40H31ClFN3O7/c1-20-4-2-7-29(34(20)46)33-27-16-17-28-32(37(49)44(35(28)47)26-6-3-5-21(18-26)38(50)51)30(27)19-31-36(48)45(43-25-14-12-24(42)13-15-25)39(52)40(31,33)22-8-10-23(41)11-9-22/h2-16,18,28,30-33,43,46H,17,19H2,1H3,(H,50,51)/t28-,30+,31-,32-,33+,40+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]4[C@H]2OC(O4)(C)C)F)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H29FO12/c1-8(23)26-6-11-14(28-9(2)24)16(29-10(3)25)13(22)19(30-11)32-15-12-7-27-20(31-12)18-17(15)33-21(4,5)34-18/h11-20H,6-7H2,1-5H3/t11-,12-,13+,14-,15-,16-,17+,18+,19-,20-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C24H20ClN3O3S/c25-17-12-10-16(11-13-17)23(30)27-21-22(15-6-2-1-3-7-15)32-19-9-5-4-8-18(19)28(24(21)31)14-20(26)29/h1-13,21-22H,14H2,(H2,26,29)(H,27,30)/t21-,22-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@@H]2N1C(=O)[C@@H]([C@H]2O)O)O)O
InChI: InChI=1S/C7H11NO5/c9-2-1-8-3(4(2)10)5(11)6(12)7(8)13/h2-6,9-12H,1H2/t2-,3-,4-,5-,6+/m0/s1
SMILES: C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC6=CC(=CC=C6)Cl)O)C)O
InChI: InChI=1S/C28H35ClN2O2S/c1-26-11-8-20(32)14-17(26)6-7-21-22(26)9-12-27(2)23(21)10-13-28(27,33)24-16-34-25(31-24)30-19-5-3-4-18(29)15-19/h3-5,14-16,20-23,32-33H,6-13H2,1-2H3,(H,30,31)/t20-,21+,22-,23-,26-,27-,28-/m0/s1
SMILES: C1CCN(CC1)CC(=O)N2[C@H]([C@@H]3CCC4=CC=CC=C4C3=N2)C5=CC=CS5
InChI: InChI=1S/C22H25N3OS/c26-20(15-24-12-4-1-5-13-24)25-22(19-9-6-14-27-19)18-11-10-16-7-2-3-8-17(16)21(18)23-25/h2-3,6-9,14,18,22H,1,4-5,10-13,15H2/t18-,22-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@]1([C@H](CCC1=O)C)CCC/C=C/[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C17H31O2Si.3C6H5.Sn/c1-6-10-11-14-17(15(5)12-13-16(17)18)19-20(7-2,8-3)9-4;3*1-2-4-6-5-3-1;/h1,6,15H,7-14H2,2-5H3;3*1-5H;/t15-,17-;;;;/m0..../s1
SMILES: C1NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)NC=NC2N
InChI: InChI=1S/C14H24N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4,6-7,9-11,13,19,21-22H,1-3,5,15-16H2,(H,17,18)(H,23,24)/t6-,7+,9+,10+,11?,13+/m0/s1
SMILES: C[C@@H]([C@H]1[C@H](O1)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C12H24O4Si/c1-8(9-10(15-9)11(13)14-5)16-17(6,7)12(2,3)4/h8-10H,1-7H3/t8-,9-,10-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)[C@@H]3C=CC(=C[C@@H]3C2=O)C(=O)[O-]
InChI: InChI=1S/C15H10O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7,11-12H,(H,18,19)/p-1/t11-,12+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C49H60N4O11/c1-3-19-52(48(56)35-13-17-43-44(28-35)61-32-60-43)45-30-41(50-63-31-33-11-14-36(15-12-33)53(57)58)39-27-34(9-5-7-23-54)38(10-6-8-24-55)46-40-29-37(59-26-22-51-20-21-51)16-18-42(40)64-49(45,47(39)46)62-25-4-2/h4,11-18,27-29,34,38,45-47,54-55H,2-3,5-10,19-26,30-32H2,1H3/t34-,38+,45-,46+,47+,49+/m0/s1
SMILES: CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C27H28N6O7/c1-15(2)23(37)30-26-29-22-19(28-14-32(22)25-21(36)20(35)18(13-34)39-25)24(31-26)40-27(38)33(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,18,20-21,25,34-36H,13H2,1-2H3,(H,29,30,31,37)/t18-,20-,21-,25-/m1/s1
SMILES: CC(C)(C)OP(=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)OC(C)(C)C
InChI: InChI=1S/C25H34N5O8P/c1-24(2,3)37-39(34,38-25(4,5)6)36-19-16(12-31)35-23(18(19)32)30-14-28-17-20(26-13-27-21(17)30)29-22(33)15-10-8-7-9-11-15/h7-11,13-14,16,18-19,23,31-32H,12H2,1-6H3,(H,26,27,29,33)/t16-,18-,19-,23-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCCOC)C(=O)OC6=CC7=CC=CC=C7C=C6)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C45H50F3NO6/c1-40-17-14-33(50)26-42(40)20-21-44(35(27-42)38(51)31-10-6-11-32(24-31)45(46,47)48)36(40)15-18-41(2)37(44)16-19-43(41,53)28-49(22-7-23-54-3)39(52)55-34-13-12-29-8-4-5-9-30(29)25-34/h4-6,8-13,20-21,24-25,27,33,36-37,50,53H,7,14-19,22-23,26,28H2,1-3H3/t33?,36-,37-,40-,41+,42+,43-,44-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=C(C=C7)OC)O)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl)OC)OC
InChI: InChI=1S/C44H37Cl2F3N8O9/c1-53-32-19-35(66-4)34(65-3)18-30(32)51-29(39(53)60)12-13-54-41(62)55-14-11-25-31(57(55)42(54)63)17-27-38(59)56(52-37-28(46)15-22(20-50-37)44(47,48)49)40(61)43(27,21-5-7-23(45)8-6-21)36(25)26-10-9-24(64-2)16-33(26)58/h5-11,15-16,18-20,27,31,36,58H,12-14,17H2,1-4H3,(H,50,52)/t27-,31+,36+,43+/m0/s1
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI: InChI=1S/C17H23NO.C14H14O3/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;3-9H,1-2H3,(H,15,16)/t14-,16+,17+;/m0./s1
SMILES: CCC(C)CCCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)CCCC(C)CC)O)COC(=O)C
InChI: InChI=1S/C32H54O15/c1-7-18(3)11-9-13-24(36)45-28-23(16-41-20(5)34)44-31(27(39)26(28)38)42-17-32(40)30(29(43-21(6)35)22(15-33)47-32)46-25(37)14-10-12-19(4)8-2/h18-19,22-23,26-31,33,38-40H,7-17H2,1-6H3/t18?,19?,22-,23-,26-,27-,28-,29-,30+,31+,32-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CC1=C)C)C)C(C)C)/C(=C/C(=C/C(C)(C)C)/C)/C
InChI: InChI=1S/C28H45N3O5/c1-16(2)24-26(34)29-15-23(33)36-25(19(5)12-17(3)14-28(8,9)10)20(6)18(4)13-22(32)30-21(7)27(35)31(24)11/h12,14,16,20-21,24-25H,4,13,15H2,1-3,5-11H3,(H,29,34)(H,30,32)/b17-14+,19-12+/t20-,21+,24+,25-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2CC(=O)NC4=C(C=C(C=N4)C(F)(F)F)N)CCC5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C27H35F3N4O2/c1-25-10-8-19-17(5-7-21-26(19,2)11-9-23(36)34(21)3)18(25)6-4-15(25)13-22(35)33-24-20(31)12-16(14-32-24)27(28,29)30/h9,11-12,14-15,17-19,21H,4-8,10,13,31H2,1-3H3,(H,32,33,35)/t15-,17?,18?,19?,21?,25-,26-/m1/s1
SMILES: CCOC(=O)/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)O[C@@H]2CCC3=C(C=CC=C23)C#N)/F
InChI: InChI=1S/C21H22FNO4/c1-4-26-19(24)16(22)10-15-18(21(15,2)3)20(25)27-17-9-8-13-12(11-23)6-5-7-14(13)17/h5-7,10,15,17-18H,4,8-9H2,1-3H3/b16-10+/t15-,17-,18+/m1/s1
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O[C@H]4[C@H]5[C@@H](CO[C@]46COC(O6)(C)C)OC(O5)(C)C
InChI: InChI=1S/C31H34ClNO9/c1-17-21(22-13-20(36-6)11-12-23(22)33(17)28(35)18-7-9-19(32)10-8-18)14-25(34)39-27-26-24(40-30(4,5)41-26)15-37-31(27)16-38-29(2,3)42-31/h7-13,24,26-27H,14-16H2,1-6H3/t24-,26-,27+,31+/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)[C@@H]4CCCO4
InChI: InChI=1S/C17H20N2O5S2/c1-23-12-6-4-11(5-7-12)19-13-9-26(21,22)10-15(13)25-17(19)18-16(20)14-3-2-8-24-14/h4-7,13-15H,2-3,8-10H2,1H3/t13-,14+,15-/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CCC5=C([C@@]4([C@H]3C)C)CCC6[C@@]7(C5)CC[C@H](C6(C)C)O7)C)O2)CC(C)(C)O
InChI: InChI=1S/C32H50O4/c1-18-15-22-23(17-27(3,4)33)35-32(34-22)19(2)30(8)21-9-10-24-28(5,6)25-12-14-31(24,36-25)16-20(21)11-13-29(30,7)26(18)32/h18-19,22-26,33H,9-17H2,1-8H3/t18-,19-,22-,23-,24?,25-,26-,29-,30+,31+,32-/m1/s1
SMILES: C[C@@]1(C2CCC3(C(C2(CCC1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)CC=C5C3(CCC6(C5CC([C@H](C6)O)(C)C)C(=O)O)C)C)CO
InChI: InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20?,21-,22?,23?,24+,25?,26-,27+,28-,29+,32?,33+,34?,35?,36?/m1/s1
SMILES: COC(=O)[C@@H]1C[C@@H]2C=CC(=O)[C@@H]3[C@H]2N1CC=CC3
InChI: InChI=1S/C14H17NO3/c1-18-14(17)11-8-9-5-6-12(16)10-4-2-3-7-15(11)13(9)10/h2-3,5-6,9-11,13H,4,7-8H2,1H3/t9-,10+,11-,13-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5
InChI: InChI=1S/C19H19NO2/c1-2-11-3-5-12(6-4-11)20-17(21)15-13-7-8-14(16(15)18(20)22)19(13)9-10-19/h3-8,13-16H,2,9-10H2,1H3/t13-,14+,15-,16+
SMILES: C1[C@H]2[C@@H](SC3=CC=CC=C3N=C2C4=CC=CC=C4O1)C5=CC=C(C=C5)Br
InChI: InChI=1S/C22H16BrNOS/c23-15-11-9-14(10-12-15)22-17-13-25-19-7-3-1-5-16(19)21(17)24-18-6-2-4-8-20(18)26-22/h1-12,17,22H,13H2/t17-,22+/m1/s1
SMILES: CC(C)(C(=O)[C@@H]1[C@H]2C[C@@H]([C@H]1C3=CC=C(C=C3)OC)C=C2)O
InChI: InChI=1S/C18H22O3/c1-18(2,20)17(19)16-13-5-4-12(10-13)15(16)11-6-8-14(21-3)9-7-11/h4-9,12-13,15-16,20H,10H2,1-3H3/t12-,13+,15+,16+/m0/s1
SMILES: CC(C)(C)[C@@H]([C@H]1C[C@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)O
InChI: InChI=1S/C12H14Cl6O/c1-9(2,3)8(19)5-4-10(15)6(13)7(14)11(5,16)12(10,17)18/h5,8,19H,4H2,1-3H3/t5-,8-,10-,11+/m1/s1
SMILES: CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)[C@@H]4[C@@H](C4(C)C)CC#N
InChI: InChI=1S/C23H24N2/c1-16-21(22-19(13-14-24)23(22,2)3)18-11-7-8-12-20(18)25(16)15-17-9-5-4-6-10-17/h4-12,19,22H,13,15H2,1-3H3/t19-,22-/m0/s1
SMILES: CCCCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C
InChI: InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19+,20+,21+,24-,25+/m1/s1
SMILES: CCOP(=O)([C@]1(C[C@H]1C=C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC3CCCC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)O
InChI: InChI=1S/C40H51N4O9P/c1-7-26-23-40(26,54(48,49)51-8-2)43-36(45)33-21-29(24-44(33)37(46)35(39(3,4)5)42-38(47)53-27-16-12-13-17-27)52-34-22-31(25-14-10-9-11-15-25)41-32-20-28(50-6)18-19-30(32)34/h7,9-11,14-15,18-20,22,26-27,29,33,35H,1,8,12-13,16-17,21,23-24H2,2-6H3,(H,42,47)(H,43,45)(H,48,49)/t26-,29-,33+,35-,40+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)C5CC5
InChI: InChI=1S/C36H52N2O7/c1-4-17-38(35(42)24-13-14-24)32-23-30(37-44-6-3)28-21-25(11-7-9-18-39)27(12-8-10-19-40)33-29-22-26(41)15-16-31(29)45-36(32,34(28)33)43-20-5-2/h5,15-16,21-22,24-25,27,32-34,39-41H,2,4,6-14,17-20,23H2,1,3H3/t25-,27+,32-,33+,34+,36+/m0/s1
SMILES: C[C@H]1CC2=C([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@H]4CC3)O)C(=CC(=C2)O)O
InChI: InChI=1S/C18H24O3/c1-9-6-10-7-11(19)8-16(21)18(10)14-3-2-12-13(17(9)14)4-5-15(12)20/h7-9,12-15,17,19-21H,2-6H2,1H3/t9-,12-,13+,14-,15-,17-/m0/s1
SMILES: C[C@H]1CO[C@]2([C@@H]1CC3=C(O2)C=C(C4=C3O[C@@]5([C@H](C4)[C@H](CO5)C)C)O)C
InChI: InChI=1S/C20H26O5/c1-10-9-23-20(4)14(10)5-12-16(21)7-17-13(18(12)25-20)6-15-11(2)8-22-19(15,3)24-17/h7,10-11,14-15,21H,5-6,8-9H2,1-4H3/t10-,11-,14+,15+,19+,20+/m0/s1
SMILES: CC(C)OCCCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CNS(=O)(=O)C)C(C)(C)C
InChI: InChI=1S/C32H58F2N6O7S/c1-18(2)47-14-12-13-35-26(41)20(15-22(33)34)37-27(42)24-23-19(32(23,9)10)17-40(24)28(43)25(31(6,7)8)39-29(44)38-21(30(3,4)5)16-36-48(11,45)46/h18-25,36H,12-17H2,1-11H3,(H,35,41)(H,37,42)(H2,38,39,44)/t19-,20-,21+,23-,24-,25+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6CC9=CC=CC=C9)[C@H]1[C@@]23CCN([C@@H]([C@@]2(C8)O)CC2=C3C(=C(C=C2)O)O1)CC1CC1
InChI: InChI=1S/C47H49N3O6/c51-32-12-10-28-18-34-46(53)20-30-31-21-47(54)35-19-29-11-13-33(52)41-37(29)45(47,15-17-49(35)23-27-8-9-27)43(56-41)39(31)50(24-25-4-2-1-3-5-25)38(30)42-44(46,36(28)40(32)55-42)14-16-48(34)22-26-6-7-26/h1-5,10-13,26-27,34-35,42-43,51-54H,6-9,14-24H2/t34-,35-,42+,43+,44+,45+,46-,47-/m1/s1
SMILES: CCC[Si](CCC)(CCC)C(C[C@@H]1C[C@H]2CC[C@@H]1C2)[Si](C)(C)C
InChI: InChI=1S/C21H44Si2/c1-7-12-23(13-8-2,14-9-3)21(22(4,5)6)17-20-16-18-10-11-19(20)15-18/h18-21H,7-17H2,1-6H3/t18-,19+,20-,21?/m0/s1
SMILES: CCS[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C30H43NO6S/c1-4-16-36-30-27(38-5-2)19-25(31-35-3)23-17-20(10-6-8-14-32)22(11-7-9-15-33)28(29(23)30)24-18-21(34)12-13-26(24)37-30/h4,12-13,17-18,20,22,27-29,32-34H,1,5-11,14-16,19H2,2-3H3/t20-,22+,27-,28+,29+,30+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)C8=CC(=CC=C8)O)O5)O)C9=CC=CC=C9N6
InChI: InChI=1S/C32H30N2O3/c35-21-5-3-4-19(14-21)22-11-10-20-15-26-32(36)16-24-23-6-1-2-7-25(23)33-28(24)30-31(32,27(20)29(22)37-30)12-13-34(26)17-18-8-9-18/h1-7,10-11,14,18,26,30,33,35-36H,8-9,12-13,15-17H2/t26-,30-,31+,32-/m1/s1
SMILES: C[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C16H17ClN2O4/c1-16(15(22)23-3)11-10(13(20)19(2)14(11)21)12(18-16)8-4-6-9(17)7-5-8/h4-7,10-12,18H,1-3H3/t10-,11-,12-,16-/m0/s1
SMILES: C[C@@]12CCC[C@@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)CNCC4=CC=CC=C4)(C)C(=O)OC
InChI: InChI=1S/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/t24-,26+,28-,29+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](CC2=CC=CC=C2F)C3CC3
InChI: InChI=1S/C19H27FN2O/c1-14-6-2-5-9-18(14)21-19(23)13-22(16-10-11-16)12-15-7-3-4-8-17(15)20/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3,(H,21,23)/p+1/t14-,18+/m1/s1
SMILES: CSCC[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3CCCC3)[C@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H25N3O3S/c1-28-11-10-15-16-17(19(26)24(18(16)25)12-6-2-3-7-12)21(23-15)13-8-4-5-9-14(13)22-20(21)27/h4-5,8-9,12,15-17,23H,2-3,6-7,10-11H2,1H3,(H,22,27)/t15-,16-,17+,21-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C
InChI: InChI=1S/C19H27NO3S/c1-13-8-9-16(10-15(13)3)24-12-19(22)23-11-18(21)20-17-7-5-4-6-14(17)2/h8-10,14,17H,4-7,11-12H2,1-3H3,(H,20,21)/t14-,17-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C
InChI: InChI=1S/C20H28N2O4S/c1-13-5-4-6-18(14(13)2)22-12-15(11-19(22)23)20(24)21-16-7-9-17(10-8-16)27(3,25)26/h7-10,13-15,18H,4-6,11-12H2,1-3H3,(H,21,24)/t13-,14+,15+,18-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@]23[C@@H](C(C(=O)O2)(C)C)OC(=O)C3(C)C
InChI: InChI=1S/C17H20O4/c1-10-6-8-11(9-7-10)17-12(15(2,3)13(18)21-17)20-14(19)16(17,4)5/h6-9,12H,1-5H3/t12-,17+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C([C@@H]2[C@@H](OC(O2)(C)C)CO)O)SC
InChI: InChI=1S/C16H24O6S2/c1-10-5-7-11(8-6-10)24(19,20)15(23-4)13(18)14-12(9-17)21-16(2,3)22-14/h5-8,12-15,17-18H,9H2,1-4H3/t12-,13?,14-,15?/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@@H]([C@@H]4Br)Br
InChI: InChI=1S/C18H17Br2NO4/c1-2-25-18(24)8-3-5-9(6-4-8)21-16(22)12-10-7-11(13(12)17(21)23)15(20)14(10)19/h3-6,10-15H,2,7H2,1H3/t10-,11+,12-,13+,14-,15+
SMILES: CC1=CC=CC=C1OCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C17H16N2O5/c1-9-4-2-3-5-10(9)23-8-13(20)18-19-16(21)14-11-6-7-12(24-11)15(14)17(19)22/h2-7,11-12,14-15H,8H2,1H3,(H,18,20)/t11-,12+,14-,15-/m0/s1
SMILES: CCCC1=CC=C(C=C1)N2C(=O)[C@H]3CC[C@@H](C[C@@H]3C2=O)C
InChI: InChI=1S/C18H23NO2/c1-3-4-13-6-8-14(9-7-13)19-17(20)15-10-5-12(2)11-16(15)18(19)21/h6-9,12,15-16H,3-5,10-11H2,1-2H3/t12-,15-,16-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O4/c1-29-19-14-12-17(13-15-19)25-23(27)20-21(16-8-4-2-5-9-16)26(30-22(20)24(25)28)18-10-6-3-7-11-18/h2-15,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)CCCCCCCCCCC
InChI: InChI=1S/C48H94N2O6/c1-4-7-10-13-16-19-21-22-23-24-25-27-30-33-36-39-44(53)50(40-37-34-31-28-20-17-14-11-8-5-2)48-45(47(55)46(54)42(41-51)56-48)49-43(52)38-35-32-29-26-18-15-12-9-6-3/h42,45-48,51,54-55H,4-41H2,1-3H3,(H,49,52)/t42-,45-,46-,47-,48?/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H](C[C@@H](N3)[C@@H](C)O)C(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C21H22FN3O3/c1-11-3-8-17-15(9-11)21(20(28)24-17)16(10-18(25-21)12(2)26)19(27)23-14-6-4-13(22)5-7-14/h3-9,12,16,18,25-26H,10H2,1-2H3,(H,23,27)(H,24,28)/t12-,16-,18-,21+/m1/s1
SMILES: CC(C)[C@@H]1[C@H]2CCCCCCCCC3=CC1=C([C@]2(C4=C(C=C(O4)C5=C(C=CN5[Si](C(C)C)(C(C)C)C(C)C)Cl)OC)O)N3COCC[Si](C)(C)C
InChI: InChI=1S/C42H69ClN2O4Si2/c1-28(2)38-33-25-32-19-17-15-13-14-16-18-20-34(38)42(46,40(33)44(32)27-48-23-24-50(10,11)12)41-37(47-9)26-36(49-41)39-35(43)21-22-45(39)51(29(3)4,30(5)6)31(7)8/h21-22,25-26,28-31,34,38,46H,13-20,23-24,27H2,1-12H3/t34-,38+,42-/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)CNC(=O)OCC=C)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C38H40N2O6S/c1-4-19-44-38(43)39-22-28-7-5-8-30(20-28)31-9-6-10-32(21-31)37-45-35(24-47-34-17-15-33(16-18-34)40-26(3)42)25(2)36(46-37)29-13-11-27(23-41)12-14-29/h4-18,20-21,25,35-37,41H,1,19,22-24H2,2-3H3,(H,39,43)(H,40,42)/t25-,35+,36+,37+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2[C@H](CC(=NO2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)C
InChI: InChI=1S/C26H33NO2/c1-18(2)22-15-14-19(3)16-25(22)28-26-23(20-10-6-4-7-11-20)17-24(27-29-26)21-12-8-5-9-13-21/h4-13,18-19,22-23,25-26H,14-17H2,1-3H3/t19-,22+,23-,25-,26+/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4CC=C[C@@H]([C@@H]4C3=O)C
InChI: InChI=1S/C26H28N2O3/c1-4-17-11-9-12-18(5-2)23(17)27-24(29)19-13-6-7-15-21(19)28-25(30)20-14-8-10-16(3)22(20)26(28)31/h6-13,15-16,20,22H,4-5,14H2,1-3H3,(H,27,29)/t16-,20+,22-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H24N2O5/c1-25-12-7-8-16(26-2)15(11-12)20-17(22)9-10-21-18(23)13-5-3-4-6-14(13)19(21)24/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])Cl
InChI: InChI=1S/C29H24Cl3N5O9/c1-33(2)23-19(36(43)44)8-12(9-20(23)37(45)46)35-24(39)16-7-6-14-17(21(16)25(35)40)11-28(31)26(41)34(3)27(42)29(28,32)22(14)15-5-4-13(38)10-18(15)30/h4-6,8-10,16-17,21-22,38H,7,11H2,1-3H3/t16-,17+,21-,22+,28+,29-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3
InChI: InChI=1S/C21H23NO4S/c1-13-6-2-4-8-16(13)22-19(23)12-26-21(24)18-10-14-11-25-17-9-5-3-7-15(17)20(14)27-18/h3,5,7,9-10,13,16H,2,4,6,8,11-12H2,1H3,(H,22,23)/t13-,16+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@H]3[C@@H](CO[P@@](=O)(O3)OCC4=CC=CC=C4)[C@@H]([C@H]([C@@H]2OCC5=CC=CC=C5)OCC6=CC=C(C=C6)OC)OCC7=CC=CC=C7
InChI: InChI=1S/C44H47O10P/c1-46-37-22-18-35(19-23-37)28-49-42-40(48-26-32-12-6-3-7-13-32)39-31-53-55(45,52-30-34-16-10-5-11-17-34)54-41(39)43(44(42)51-27-33-14-8-4-9-15-33)50-29-36-20-24-38(47-2)25-21-36/h3-25,39-44H,26-31H2,1-2H3/t39-,40-,41+,42+,43-,44-,55-/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@H]([C@H]2C(=O)NC3=CC=CC4=C(C=CN=C43)C5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C24H20N2O3/c27-23(20-15-9-10-16(13-15)21(20)24(28)29)26-19-8-4-7-18-17(11-12-25-22(18)19)14-5-2-1-3-6-14/h1-12,15-16,20-21H,13H2,(H,26,27)(H,28,29)/t15-,16+,20+,21-/m1/s1
SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)C1CC(CC2)(C)C)C
InChI: InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21-,22+,23-,24-,27+,28+,29+,30+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+].[Na+]
InChI: InChI=1S/C14H23NO15S.2Na/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22;;/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26);;/q;2*+1/p-2/t4-,5-,6+,7+,8-,9+,10-,11+,13?,14-;;/m1../s1
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H](C34C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6F)C(=O)C7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C33H21FN2O5/c34-25-14-5-4-13-24(25)28-29(30(37)20-9-7-10-21(18-20)36(40)41)35-26-15-6-1-8-19(26)16-17-27(35)33(28)31(38)22-11-2-3-12-23(22)32(33)39/h1-18,27-29H/t27-,28-,29+/m1/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@@H](O[C@@]([C@](O1)(C)OC)(C)OC)C(=O)OC
InChI: InChI=1S/C14H24O8/c1-8(2)20-12(16)10-9(11(15)17-5)21-13(3,18-6)14(4,19-7)22-10/h8-10H,1-7H3/t9-,10+,13-,14-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C21H21NO4/c23-19(12-22-20(24)17-10-3-4-11-18(17)21(22)25)26-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-2,5-9,17-18H,3-4,10-13H2/t17-,18-/m0/s1
SMILES: CCC(=O)CC[C@H]1[C@@H]2CC[C@H]([C@@]2(CC(C1=O)C3=CC=C(C=C3)N(C)C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H47NO3Si/c1-10-22(31)15-16-23-25-17-18-26(33-34(8,9)28(2,3)4)29(25,5)19-24(27(23)32)20-11-13-21(14-12-20)30(6)7/h11-14,23-26H,10,15-19H2,1-9H3/t23-,24?,25-,26+,29+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CSC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])O)O)C(=O)O)O
InChI: InChI=1S/C17H19N5O9S/c1-7(23)19-14-10(24)5-12(17(27)28)31-16(14)15(26)11(25)6-32-13-3-2-8(20-21-18)4-9(13)22(29)30/h2-5,10-11,14-16,24-26H,6H2,1H3,(H,19,23)(H,27,28)/t10-,11+,14+,15+,16+/m0/s1
SMILES: C[C@@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18+,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=O)NNC6=O)OC
InChI: InChI=1S/C31H37N3O9Si/c1-31(2,3)44(6,7)43-28-22(38-4)8-15(9-23(28)39-5)25-16-10-20-21(42-14-41-20)11-17(16)27(18-13-40-30(37)26(18)25)32-19-12-24(35)33-34-29(19)36/h8-12,18,25-27H,13-14H2,1-7H3,(H,34,36)(H2,32,33,35)/t18-,25+,26-,27+/m0/s1
SMILES: C1C[C@]2([C@]3(CCCO3)C4(C(O4)CCO)[C@]5(CCCO5)[C@]6(C27CCCO7)CCCO6)OC1
InChI: InChI=1S/C24H36O7/c25-12-6-18-24(31-18)22(10-4-16-29-22)20(8-2-14-27-20)19(7-1-13-26-19)21(9-3-15-28-21)23(24)11-5-17-30-23/h18,25H,1-17H2/t18?,19?,20-,21+,22+,23-,24?
SMILES: COC1=C(C=C(C=C1)NC(=S)N/N=C/2\CC[C@@H]3CCCC[C@@H]3C2)OC
InChI: InChI=1S/C19H27N3O2S/c1-23-17-10-9-15(12-18(17)24-2)20-19(25)22-21-16-8-7-13-5-3-4-6-14(13)11-16/h9-10,12-14H,3-8,11H2,1-2H3,(H2,20,22,25)/b21-16+/t13-,14+/m0/s1
SMILES: C[C@]1([C@@](N(C(=O)O1)CCC2=CN=CN2)(C)O)CC(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C20H27N3O3/c1-18(2,15-8-6-5-7-9-15)13-19(3)20(4,25)23(17(24)26-19)11-10-16-12-21-14-22-16/h5-9,12,14,25H,10-11,13H2,1-4H3,(H,21,22)/t19-,20-/m1/s1
SMILES: C[C@@H]1CC[C@@]23C=CC(=O)[C@@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CC4=CC=C(C=C4)OCC5CCN(CC5)C)C
InChI: InChI=1S/C35H49NO5/c1-7-33(4)21-29(34(5)23(2)12-16-35(24(3)32(33)39)17-13-28(37)31(34)35)41-30(38)20-25-8-10-27(11-9-25)40-22-26-14-18-36(6)19-15-26/h7-11,13,17,23-24,26,29,31-32,39H,1,12,14-16,18-22H2,2-6H3/t23-,24+,29-,31-,32+,33-,34+,35+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC(=C5O)CC=C)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C31H30N2O5/c1-4-9-17-10-8-13-21(26(17)34)25-19-14-15-20-24(29(37)32(3)27(20)35)22(19)16-23-28(36)33(30(38)31(23,25)2)18-11-6-5-7-12-18/h4-8,10-14,20,22-25,34H,1,9,15-16H2,2-3H3/t20-,22+,23-,24-,25+,31+/m0/s1
SMILES: CC1=CN(C(=O)N=C1O[Si](C)(C)C)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C22H46N2O6Si4/c1-16-14-24(22(25)23-20(16)30-34(11,12)13)21-19(29-33(8,9)10)18(28-32(5,6)7)17(27-21)15-26-31(2,3)4/h14,17-19,21H,15H2,1-13H3/t17-,18-,19-,21-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C(=C8)Br)O)OC)C(=O)N(C7=O)C9=CC=C(C=C9)[N+](=O)[O-])C
InChI: InChI=1S/C41H33BrClN5O8S/c1-18-25-15-20(43)5-12-31(25)57-36(18)29-17-32(45(3)44-29)47-38(51)27-16-26-23(34(41(27,2)40(47)53)19-13-28(42)35(49)30(14-19)56-4)10-11-24-33(26)39(52)46(37(24)50)21-6-8-22(9-7-21)48(54)55/h5-10,12-15,17,24,26-27,33-34,49H,11,16H2,1-4H3/t24-,26+,27-,33-,34-,41+/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2
InChI: InChI=1S/C17H23N3O3/c1-23-12-6-4-5-11(9-12)18-16(21)10-15-17(22)20-14-8-3-2-7-13(14)19-15/h4-6,9,13-15,19H,2-3,7-8,10H2,1H3,(H,18,21)(H,20,22)/t13-,14-,15+/m0/s1
SMILES: C[N@+]1(CC2=CC=CC=C2[C@H]1C3=CC=C(C=C3)C(F)(F)F)C[Si](C)(C)C
InChI: InChI=1S/C20H25F3NSi/c1-24(14-25(2,3)4)13-16-7-5-6-8-18(16)19(24)15-9-11-17(12-10-15)20(21,22)23/h5-12,19H,13-14H2,1-4H3/q+1/t19-,24+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)CO[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)OCC=C)OCC=C
InChI: InChI=1S/C32H42O14/c1-7-14-37-26-24-22(16-39-30(46-24)21-12-10-9-11-13-21)45-32(28(26)38-15-8-2)40-17-23-25(41-18(3)33)27(42-19(4)34)29(43-20(5)35)31(36-6)44-23/h7-13,22-32H,1-2,14-17H2,3-6H3/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31+,32-/m1/s1