EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC1=CC=CC=C1N(CC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C24H30N2O4S/c1-3-30-23-7-5-4-6-22(23)26(31(28,29)20-12-8-17(2)9-13-20)16-24(27)25-21-15-18-10-11-19(21)14-18/h4-9,12-13,18-19,21H,3,10-11,14-16H2,1-2H3,(H,25,27)/t18-,19+,21+/m1/s1
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC(=CC=C3)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC(=CC=C6)N)C
InChI: InChI=1S/C36H40N4O3/c1-36(2)42-33-31(21-27-15-9-17-29(37)19-27)39(23-25-11-5-3-6-12-25)35(41)40(24-26-13-7-4-8-14-26)32(34(33)43-36)22-28-16-10-18-30(38)20-28/h3-20,31-34H,21-24,37-38H2,1-2H3/t31-,32-,33+,34+/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CCO)CCO
InChI: InChI=1S/C20H27N3O3/c1-22-12-14(20(26)23(5-7-24)6-8-25)9-16-15-3-2-4-17-19(15)13(11-21-17)10-18(16)22/h2-4,11,14,16,18,21,24-25H,5-10,12H2,1H3/t14-,16-,18-/m1/s1
SMILES: CC[C@@]1([C@]2([C@@]1([C@@]3(N=C2N)OCCS3)C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H15ClN4OS/c1-2-14(11-3-5-12(18)6-4-11)15(9-19)13(21)22-17(16(14,15)10-20)23-7-8-24-17/h3-6H,2,7-8H2,1H3,(H2,21,22)/t14-,15-,16+,17+/m0/s1
SMILES: C[N+]1(C[C@@H](C[C@H]1CO)O)C/C=C/C2=C(C3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=NSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C22H28N6O7S2/c1-28(7-12(30)6-11(28)8-29)5-3-4-10-9-36-18-14(13(10)21(33)34)17(31)15(18)24-20(32)16(26-35-2)19-25-22(23)37-27-19/h3-4,11-12,14-15,18,29-30H,5-9H2,1-2H3,(H3-,23,24,25,27,32,33,34)/p+1/b4-3+,26-16-/t11-,12+,14?,15+,18-,28?/m0/s1
SMILES: CO[C@@H](C1=CC(=C(C=C1)O)O)[C@@H](CC#CC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C24H28O11/c1-33-23(13-6-8-15(27)17(29)10-13)18(4-2-3-12-5-7-14(26)16(28)9-12)34-24-22(32)21(31)20(30)19(11-25)35-24/h5-10,18-32H,4,11H2,1H3/t18-,19-,20-,21+,22-,23+,24-/m1/s1
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C)C#CI
InChI: InChI=1S/C23H27IO3/c1-15(25)27-23(12-13-24)11-9-21-20-6-4-16-14-17(26-3)5-7-18(16)19(20)8-10-22(21,23)2/h5,7,14,19-21H,4,6,8-11H2,1-3H3/t19-,20-,21+,22+,23-/m1/s1
SMILES: COC1=CC=C(C=C1)CNC(=O)[C@@H]2[C@H]3C=C[C@@]4([C@H]2C(=O)N(C4)CC5=CC=CO5)O3
InChI: InChI=1S/C22H22N2O5/c1-27-15-6-4-14(5-7-15)11-23-20(25)18-17-8-9-22(29-17)13-24(21(26)19(18)22)12-16-3-2-10-28-16/h2-10,17-19H,11-13H2,1H3,(H,23,25)/t17-,18-,19-,22-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C(=CC=C6)F)O)C(=O)N(C5=O)CCC7=CC=C(C=C7)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H34Cl2FN3O7/c1-54-25-12-7-22(8-13-25)41-30(38(51)47(40(41)53)45-33-16-9-23(42)19-31(33)43)20-29-26(35(41)28-3-2-4-32(44)36(28)49)14-15-27-34(29)39(52)46(37(27)50)18-17-21-5-10-24(48)11-6-21/h2-14,16,19,27,29-30,34-35,45,48-49H,15,17-18,20H2,1H3/t27-,29+,30-,34-,35+,41+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1[C@@H]([C@H](C3=C2COC3=O)Cl)O)(C)C
InChI: InChI=1S/C15H21ClO3/c1-14(2)5-4-6-15(3)8-7-19-13(18)9(8)10(16)11(17)12(14)15/h10-12,17H,4-7H2,1-3H3/t10-,11+,12-,15+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H]3[C@@H]([C@@H]4N2C5=C(C=C4)C6=CC=CC=C6C=C5)C(=O)N(C3=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C31H21ClN2O3/c32-20-11-13-21(14-12-20)33-30(36)26-25-17-15-23-22-9-5-4-6-18(22)10-16-24(23)34(25)28(27(26)31(33)37)29(35)19-7-2-1-3-8-19/h1-17,25-28H/t25-,26-,27-,28-/m1/s1
SMILES: CC[C@@H]1[C@H]([C@H](CCCC2(C(O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/F)C)C)O
InChI: InChI=1S/C27H40FNO6S/c1-7-18-24(32)15(2)9-8-10-27(6)22(35-27)12-20(19(28)11-17-14-36-16(3)29-17)34-23(31)13-21(30)26(4,5)25(18)33/h11,14-15,18,20-22,24,30,32H,7-10,12-13H2,1-6H3/b19-11-/t15-,18+,20-,21-,22?,24-,27?/m0/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3C(=O)OC)C
InChI: InChI=1S/C21H24N2O5/c1-21(2)27-13-17(18(28-21)14-9-5-4-6-10-14)23-20(25)22-16-12-8-7-11-15(16)19(24)26-3/h4-12,17-18H,13H2,1-3H3,(H2,22,23,25)/t17-,18-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CC=C3F)(CCSC)C(=O)OC
InChI: InChI=1S/C18H21FN2O4S/c1-21-15(22)12-13(16(21)23)18(8-9-26-3,17(24)25-2)20-14(12)10-6-4-5-7-11(10)19/h4-7,12-14,20H,8-9H2,1-3H3/t12-,13+,14+,18-/m1/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O
InChI: InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26?,29?,30?,31-,36-,37+,38+,39-/m0/s1
SMILES: CC(C)/C=C/1\CN2CCCC[C@H]2[C@@]([C@@H]1O)(C)OCC3=CC=CC=C3
InChI: InChI=1S/C21H31NO2/c1-16(2)13-18-14-22-12-8-7-11-19(22)21(3,20(18)23)24-15-17-9-5-4-6-10-17/h4-6,9-10,13,16,19-20,23H,7-8,11-12,14-15H2,1-3H3/b18-13+/t19-,20+,21+/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)C4=CC=CC(=C4)CNC(=O)NCC5=CC=CC=C5)CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C45H48ClN3O5/c1-31-41(29-49-24-22-45(52,23-25-49)39-18-20-40(46)21-19-39)53-43(54-42(31)36-12-10-33(30-50)11-13-36)37-16-14-35(15-17-37)38-9-5-8-34(26-38)28-48-44(51)47-27-32-6-3-2-4-7-32/h2-21,26,31,41-43,50,52H,22-25,27-30H2,1H3,(H2,47,48,51)/t31-,41+,42+,43+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC5=C(C=C4)OCO5)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C28H35N3O5S/c1-6-11-31(5)26(34)15(2)18-9-10-28(4)13-21-23(16(3)22(28)24(18)32)29-27(37-21)30-25(33)17-7-8-19-20(12-17)36-14-35-19/h6-8,12,15-16,18,22,24,32H,1,9-11,13-14H2,2-5H3,(H,29,30,33)/t15-,16-,18-,22+,24-,28-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2C[C@@]3(C[C@@H]4[C@]2(N(O3)OC4)Cl)O[C@@H]5CCCC[C@H]5C6=CC=CC=C6
InChI: InChI=1S/C26H30ClNO4/c1-29-21-13-11-19(12-14-21)23-16-25(15-20-17-30-28(32-25)26(20,23)27)31-24-10-6-5-9-22(24)18-7-3-2-4-8-18/h2-4,7-8,11-14,20,22-24H,5-6,9-10,15-17H2,1H3/t20-,22-,23-,24+,25-,26+/m0/s1
SMILES: C[C@]12CC3=C(C[C@@H]1CC[C@@H]4[C@@H]2CC(=O)C4)N=C5C[C@]6([C@@H](CC[C@@H]7[C@@H]6CC(=O)C7)CC5=N3)C
InChI: InChI=1S/C28H36N2O2/c1-27-13-25-23(9-17(27)5-3-15-7-19(31)11-21(15)27)30-26-14-28(2)18(10-24(26)29-25)6-4-16-8-20(32)12-22(16)28/h15-18,21-22H,3-14H2,1-2H3/t15-,16-,17-,18-,21-,22-,27-,28-/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](NC(=O)NC2=C1)C3=CC=C(C=C3)Cl)C
InChI: InChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-3-5-10(17)6-4-9/h3-7,13-14H,8H2,1-2H3,(H2,18,19,21)/t13-,14-/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)[N+](=O)[O-]
InChI: InChI=1S/C19H21N3O5/c1-12-8-9-15(16(11-12)22(26)27)20-17(23)7-4-10-21-18(24)13-5-2-3-6-14(13)19(21)25/h2-3,8-9,11,13-14H,4-7,10H2,1H3,(H,20,23)/t13-,14-/m1/s1
SMILES: C1C[C@@H]2CC(=O)N3C4=C(C5=C3[C@@H]2[C@@H](C1)[C@@H](C5)N)C(=CC=C4)O.Cl
InChI: InChI=1S/C18H20N2O2.ClH/c19-12-8-11-17-13(5-2-6-14(17)21)20-15(22)7-9-3-1-4-10(12)16(9)18(11)20;/h2,5-6,9-10,12,16,21H,1,3-4,7-8,19H2;1H/t9-,10+,12-,16+;/m1./s1
SMILES: COC1=CN([C@H]2CC(=O)C3=C([C@H]2C1)C=C(O3)C(=O)OC)C(=O)OC
InChI: InChI=1S/C16H17NO7/c1-21-8-4-9-10-5-13(15(19)22-2)24-14(10)12(18)6-11(9)17(7-8)16(20)23-3/h5,7,9,11H,4,6H2,1-3H3/t9-,11+/m1/s1
SMILES: CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)C3=C(C(=C(C=C3C(=O)O2)O)OC)O)OC(=O)CCC)O
InChI: InChI=1S/C22H28O11/c1-4-6-13(24)30-9-12-16(26)20(32-14(25)7-5-2)21-19(31-12)15-10(22(28)33-21)8-11(23)18(29-3)17(15)27/h8,12,16,19-21,23,26-27H,4-7,9H2,1-3H3/t12-,16-,19+,20+,21+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=C(C(=CC=C2)OC)OC(F)F)/C#N
InChI: InChI=1S/C19H22F2N2O3/c1-12-6-3-4-8-15(12)23-18(24)14(11-22)10-13-7-5-9-16(25-2)17(13)26-19(20)21/h5,7,9-10,12,15,19H,3-4,6,8H2,1-2H3,(H,23,24)/b14-10+/t12-,15-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NCCN)O
InChI: InChI=1S/C32H36N4O6/c1-39-25-12-8-23(9-13-25)32(22-6-4-3-5-7-22,24-10-14-26(40-2)15-11-24)41-21-28-27(37)20-30(42-28)36-19-16-29(34-18-17-33)35-31(36)38/h3-16,19,27-28,30,37H,17-18,20-21,33H2,1-2H3,(H,34,35,38)/t27-,28+,30+/m0/s1
SMILES: CC(=O)C[C@@]1(C(=O)C2=C(C=C(C=C2O[C@@]1(C)[C@@H]3CCC(=O)O3)CO)O)O
InChI: InChI=1S/C18H20O8/c1-9(20)7-18(24)16(23)15-11(21)5-10(8-19)6-12(15)26-17(18,2)13-3-4-14(22)25-13/h5-6,13,19,21,24H,3-4,7-8H2,1-2H3/t13-,17-,18-/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]3COC(=O)CCCCC(=O)NC4=CC=C([C@H]3C2)C=C4.Cl
InChI: InChI=1S/C21H28N2O3.ClH/c1-23-16-10-11-19(23)18-13-26-21(25)5-3-2-4-20(24)22-15-8-6-14(7-9-15)17(18)12-16;/h6-9,16-19H,2-5,10-13H2,1H3,(H,22,24);1H/t16-,17+,18-,19+;/m0./s1
SMILES: C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O
InChI: InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13-,14-,17-,18-,19+/m1/s1
SMILES: CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)OC[C@H]5C[C@@H]5C6=CC=CC=C6)C)C(=O)NCCN(C)C
InChI: InChI=1S/C32H34N4O2/c1-20-24-12-13-33-30(32(37)34-14-15-35(2)3)27(24)18-28-26-17-23(10-11-29(26)36(4)31(20)28)38-19-22-16-25(22)21-8-6-5-7-9-21/h5-13,17-18,22,25H,14-16,19H2,1-4H3,(H,34,37)/t22-,25-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)C(=O)N(C2O)CC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C15H19NO5/c1-15(2)20-11-12(21-15)14(18)16(13(11)17)8-9-4-6-10(19-3)7-5-9/h4-7,11-13,17H,8H2,1-3H3/t11-,12+,13?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]2C3=CC=CC=C3OC)/C=C/[Si](C)(C)C
InChI: InChI=1S/C21H27NO3SSi/c1-16-10-12-17(13-11-16)26(23,24)22-19(14-15-27(3,4)5)21(22)18-8-6-7-9-20(18)25-2/h6-15,19,21H,1-5H3/b15-14+/t19-,21-,22?/m0/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C[C@H]4[C@@](O4)(C[C@H](/C=C/C=C/5\CO[C@H]6[C@@]5([C@@H](C=C([C@H]6O[Si](C)(C)C(C)(C)C)C)C(=O)O3)O[Si](C)(C)C)C)C)C
InChI: InChI=1S/C41H68O8Si2/c1-14-33-27(3)18-19-40(46-33)24-31-21-30(45-40)22-34-39(8,47-34)23-26(2)16-15-17-29-25-43-36-35(48-51(12,13)38(5,6)7)28(4)20-32(37(42)44-31)41(29,36)49-50(9,10)11/h15-17,20,26-27,30-36H,14,18-19,21-25H2,1-13H3/b16-15+,29-17+/t26-,27-,30-,31-,32-,33+,34-,35+,36+,39-,40+,41+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@]4(C5=CC=CC=C5NC4=O)N[C@@H]3C(C)C)C
InChI: InChI=1S/C24H25N3O3/c1-12(2)20-18-19(24(26-20)15-7-5-6-8-16(15)25-23(24)30)22(29)27(21(18)28)17-10-9-13(3)11-14(17)4/h5-12,18-20,26H,1-4H3,(H,25,30)/t18-,19-,20+,24+/m0/s1
SMILES: C[C@H]1CCCC(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O
InChI: InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1
SMILES: C[C@@H]1[C@H](C(=O)[C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)[C@H](CC[C@]24CO4)O)COC(=O)C)O
InChI: InChI=1S/C22H30O7/c1-13-17(25)19(26)22(12-28-14(2)23)18(16(24)5-8-21(22)11-29-21)20(13,3)7-4-15-6-9-27-10-15/h6,9-10,13,16-18,24-25H,4-5,7-8,11-12H2,1-3H3/t13-,16+,17-,18-,20+,21+,22+/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H38N2O4Si/c1-16(2)19-15-29-23(28)26(19)21-20(17(3)30-31(7,8)24(4,5)6)25(22(21)27)14-18-12-10-9-11-13-18/h9-13,16-17,19-21H,14-15H2,1-8H3/t17-,19-,20-,21+/m1/s1
SMILES: CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CC(=C(C=C5)F)C(F)(F)F
InChI: InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)14-4-5-17(23)16(8-14)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3/t15-,21+/m0/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1C=C[C@@H]([C@H]2[C@@H]1[C@@H]3C[C@H]2C=C3)O
InChI: InChI=1S/C16H22O3/c1-16(2,3)15(18)19-12-7-6-11(17)13-9-4-5-10(8-9)14(12)13/h4-7,9-14,17H,8H2,1-3H3/t9-,10+,11+,12-,13+,14-/m1/s1
SMILES: CC(C)(C)C(=O)OC1=CC2=C(C=C1)[C@]34C(CCC[C@]3(O4)[C@@H](N2C(=O)OC5=CC=CC=C5)C#C/C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H51NO6Si2/c1-37(2,3)35(42)44-30-24-25-31-32(28-30)41(36(43)45-29-20-15-14-16-21-29)33(22-17-12-13-18-27-48(7,8)9)39-26-19-23-34(40(31,39)47-39)46-49(10,11)38(4,5)6/h12-16,20-21,24-25,28,33-34H,19,23,26H2,1-11H3/b13-12-/t33-,34?,39-,40-/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C27H40O7/c1-15(28)27(34-18(4)31)12-9-22-20-14-24(33-17(3)30)23-13-19(32-16(2)29)7-10-25(23,5)21(20)8-11-26(22,27)6/h19-24H,7-14H2,1-6H3/t19-,20-,21+,22+,23+,24+,25-,26+,27+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(O4)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H38O15/c1-11(27)31-9-15-17(33-12(2)28)19(34-13(3)29)21(35-14(4)30)23(36-15)38-20-18(16-10-32-25(5,6)39-16)37-24-22(20)40-26(7,8)41-24/h15-24H,9-10H2,1-8H3/t15-,16-,17-,18-,19+,20+,21-,22-,23+,24-/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=C(C=C4)O)Cl)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C35H23BrClNO6/c36-26-16-28(40)31-25(33(26)42)15-24-21(29(31)22-11-10-20(39)14-27(22)37)12-13-23-30(24)35(44)38(34(23)43)19-8-6-18(7-9-19)32(41)17-4-2-1-3-5-17/h1-12,14,16,23-24,29-30,39H,13,15H2/t23-,24+,29+,30-/m0/s1
SMILES: CCOCO[C@H]1[C@@H]2CC(OC[C@H]2O[C@H]([C@@H]1OS(=O)(=O)C(C(OC(C(CCCCC(=O)O)(F)F)(F)F)(F)F)(F)F)OC)C3=CC=CC=C3
InChI: InChI=1S/C27H34F8O11S/c1-3-41-15-43-21-17-13-18(16-9-5-4-6-10-16)42-14-19(17)44-23(40-2)22(21)45-47(38,39)27(34,35)26(32,33)46-25(30,31)24(28,29)12-8-7-11-20(36)37/h4-6,9-10,17-19,21-23H,3,7-8,11-15H2,1-2H3,(H,36,37)/t17-,18?,19-,21+,22-,23-/m1/s1
SMILES: CCS[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/C16H25NO8S/c1-6-26-16-13(17-8(2)18)15(24-11(5)21)14(23-10(4)20)12(25-16)7-22-9(3)19/h12-16H,6-7H2,1-5H3,(H,17,18)/t12-,13-,14+,15-,16+/m1/s1
SMILES: CC1=C2[C@H](CC1=O)[C@@]3(C[C@@H]3[C@H](C([C@H]2O)(C)C)O)C
InChI: InChI=1S/C15H22O3/c1-7-10(16)5-8-11(7)13(18)14(2,3)12(17)9-6-15(8,9)4/h8-9,12-13,17-18H,5-6H2,1-4H3/t8-,9+,12+,13-,15-/m0/s1
SMILES: CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CN=C(C=C5)C(F)(F)F
InChI: InChI=1S/C21H23F3N6OS/c1-13-17(31-12-26-13)18-27-28-19(29(18)2)32-7-3-6-30-10-15-8-20(15,11-30)14-4-5-16(25-9-14)21(22,23)24/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3/t15-,20+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CNC(=O)CC(=O)O)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)OC)CO)O)O)O)O
InChI: InChI=1S/C17H29NO13/c1-6-10(23)12(25)15(27)17(30-6,5-18-8(20)3-9(21)22)31-14-11(24)7(4-19)29-16(28-2)13(14)26/h6-7,10-16,19,23-27H,3-5H2,1-2H3,(H,18,20)(H,21,22)/t6-,7+,10+,11+,12+,13+,14-,15-,16-,17-/m0/s1
SMILES: CC1=CC=CC=C1C(=O)OC2=C3C4=C(C[C@@H]5[C@H]6[C@]4(CCN5C)[C@@H](O3)[C@H](C=C6)O)C=C2
InChI: InChI=1S/C25H25NO4/c1-14-5-3-4-6-16(14)24(28)29-20-10-7-15-13-18-17-8-9-19(27)23-25(17,11-12-26(18)2)21(15)22(20)30-23/h3-10,17-19,23,27H,11-13H2,1-2H3/t17-,18+,19-,23-,25-/m0/s1
SMILES: C1[C@H]([C@H](C[S+]1C[C@@H]([C@@H](CO)OS(=O)(=O)[O-])O)O)O
InChI: InChI=1S/C8H16O8S2/c9-1-8(16-18(13,14)15)7(12)4-17-2-5(10)6(11)3-17/h5-12H,1-4H2/t5-,6+,7-,8+,17?/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C3(CC(=O)N(C3=O)CC4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=CC=C5)C(C(=O)OCC6=CC=CC=C6)(C(=O)OCC7=CC=CC=C7)OC(=O)OCC8=CC=CC=C8)C
InChI: InChI=1S/C50H47NO15S/c1-48(2)64-40-41(65-48)43(63-42(40)49(67(57,58)38-22-14-7-15-23-38)28-39(52)51(44(49)53)29-33-24-26-37(59-3)27-25-33)50(45(54)60-30-34-16-8-4-9-17-34,46(55)61-31-35-18-10-5-11-19-35)66-47(56)62-32-36-20-12-6-13-21-36/h4-27,40-43H,28-32H2,1-3H3/t40-,41+,42-,43+,49?/m0/s1
SMILES: C1CCN2CCC[C@H]([C@@H]2C1)CNC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H28N2O2/c27-23(18-9-2-1-3-10-18)20-12-4-5-13-21(20)24(28)25-17-19-11-8-16-26-15-7-6-14-22(19)26/h1-5,9-10,12-13,19,22H,6-8,11,14-17H2,(H,25,28)/t19-,22-/m0/s1
SMILES: CC(C)OCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C20H28N2O7/c1-11(2)28-7-8-29-19(23)16-12(3)21-20(24)22-17(16)13-9-14(25-4)18(27-6)15(10-13)26-5/h9-11,16-17H,3,7-8H2,1-2,4-6H3,(H2,21,22,24)/t16-,17+/m1/s1
SMILES: C1=CC=C(C=C1)C2=NO[C@@H]([C@H]2[N+](=O)[O-])C3=CC=CC=C3O
InChI: InChI=1S/C15H12N2O4/c18-12-9-5-4-8-11(12)15-14(17(19)20)13(16-21-15)10-6-2-1-3-7-10/h1-9,14-15,18H/t14-,15+/m0/s1
SMILES: C[C@@]12CCC[C@@]1([C@@]3(CC(=O)C[C@@H]3[C@H]2OC)C)C
InChI: InChI=1S/C15H24O2/c1-13-6-5-7-15(13,3)14(2)9-10(16)8-11(14)12(13)17-4/h11-12H,5-9H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1
SMILES: CCCCNC1=C2C(=NC(=N1)SCCC)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NCCCN(C)C4=CC=CC=C4.CC(=O)C(F)(F)F
InChI: InChI=1S/C27H40N8O3S.C3H3F3O/c1-4-6-13-28-24-21-25(31-27(30-24)39-16-5-2)35(33-32-21)20-17-19(22(36)23(20)37)26(38)29-14-10-15-34(3)18-11-8-7-9-12-18;1-2(7)3(4,5)6/h7-9,11-12,19-20,22-23,36-37H,4-6,10,13-17H2,1-3H3,(H,29,38)(H,28,30,31);1H3/t19-,20+,22+,23-;/m0./s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)CCC5=CC(=C(C=C35)OC)O
InChI: InChI=1S/C25H36O8/c1-25-8-7-13-14(4-3-12-9-17(27)18(31-2)10-15(12)13)16(25)5-6-20(25)33-24-23(30)22(29)21(28)19(11-26)32-24/h9-10,13-14,16,19-24,26-30H,3-8,11H2,1-2H3/t13-,14+,16-,19-,20-,21+,22+,23-,24?,25-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@H](N[C@@H]([C@H]2O[Si](C)(C)C(C)(C)C)CO)C3=CC(=CC=C3)O)C
InChI: InChI=1S/C21H35NO5Si/c1-20(2,3)28(6,7)27-17-15(12-23)22-16(13-9-8-10-14(24)11-13)18-19(17)26-21(4,5)25-18/h8-11,15-19,22-24H,12H2,1-7H3/t15-,16+,17-,18-,19+/m1/s1
SMILES: B(N1C(=CC(=C1/C=C/2\C=CC(=N2)CCC(=O)NCCCCCNC(=O)CN3C4=CC=CC=C4O[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C)NC(=O)CC5=CC(=CC=C5)C(=O)C6=CC=CC=C6)C7=CC=CC=C7)C)C)(F)F
InChI: InChI=1S/C54H56BF2N7O7/c1-35-30-36(2)64(55(56)57)45(35)33-43-25-24-42(61-43)26-27-47(65)58-28-13-6-14-29-59-49(67)34-63-44-22-11-12-23-46(44)71-52(40-19-9-5-10-20-40)50(54(63)70)62-53(69)37(3)60-48(66)32-38-16-15-21-41(31-38)51(68)39-17-7-4-8-18-39/h4-5,7-12,15-25,30-31,33,37,50,52H,6,13-14,26-29,32,34H2,1-3H3,(H,58,65)(H,59,67)(H,60,66)(H,62,69)/b43-33+/t37-,50+,52-/m1/s1
SMILES: COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI: InChI=1S/C21H15Br2NO4/c1-28-15(25)10-24-18(26)16-17(19(24)27)21(23)12-7-3-2-6-11(12)20(16,22)13-8-4-5-9-14(13)21/h2-9,16-17H,10H2,1H3/t16-,17-,20?,21?/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@@H]3[C@H](C[C@H](C(=O)O3)NC(=O)C4=CC=CC=C4)C(=O)N2
InChI: InChI=1S/C20H18N2O4/c1-11-6-5-9-13-16(11)22-19(24)14-10-15(20(25)26-17(13)14)21-18(23)12-7-3-2-4-8-12/h2-9,14-15,17H,10H2,1H3,(H,21,23)(H,22,24)/t14-,15+,17+/m0/s1
SMILES: CCOC1=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(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=C(C=C9)C=C)O
InChI: InChI=1S/C44H39ClN4O6S/c1-6-23-8-12-26(13-9-23)48-40(51)28-15-14-27-30(37(28)42(48)53)20-31-41(52)49(43(54)44(31,4)38(27)24-10-16-33(50)34(18-24)55-7-2)36-21-32(46-47(36)5)39-22(3)29-19-25(45)11-17-35(29)56-39/h6,8-14,16-19,21,28,30-31,37-38,50H,1,7,15,20H2,2-5H3/t28-,30+,31-,37-,38-,44+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C(=O)N)O
InChI: InChI=1S/C28H18Cl2F5N3O7/c1-45-13-5-2-8(6-12(13)39)15-9-3-4-10-14(23(41)38(22(10)40)26(36)44)11(9)7-27(29)24(42)37(25(43)28(15,27)30)21-19(34)17(32)16(31)18(33)20(21)35/h2-3,5-6,10-11,14-15,39H,4,7H2,1H3,(H2,36,44)/t10-,11+,14-,15-,27+,28-/m0/s1
SMILES: CC12CCOC(O1)(OC2)[C@@H]3[C@H]4C[C@H]4C(=O)N3C(=O)OC(C)(C)C
InChI: InChI=1S/C16H23NO6/c1-14(2,3)22-13(19)17-11(9-7-10(9)12(17)18)16-20-6-5-15(4,23-16)8-21-16/h9-11H,5-8H2,1-4H3/t9-,10+,11-,15?,16?/m0/s1
SMILES: C[C@@H]1C([C@@H](CC(O1)C2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)[C@H]([C@H](O[C@@H]4C)CC(=O)OC)O)N(C)C)O
InChI: InChI=1S/C25H31NO9/c1-10-18-21(23(30)16(34-10)9-17(28)33-5)25(32)19-12(6-7-14(27)20(19)24(18)31)15-8-13(26(3)4)22(29)11(2)35-15/h6-7,10-11,13,15-16,22-23,27,29-30H,8-9H2,1-5H3/t10-,11-,13-,15?,16-,22?,23+/m1/s1
SMILES: C1=CC=C(C=C1)COCC[C@@H]2[C@H]([C@@H](C(O2)(CO)O)O)O
InChI: InChI=1S/C14H20O6/c15-9-14(18)13(17)12(16)11(20-14)6-7-19-8-10-4-2-1-3-5-10/h1-5,11-13,15-18H,6-9H2/t11-,12-,13+,14?/m1/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](OC3[C@@]24C1CC[C@@](O3)(OO4)C)OC5=CC=C(C=C5)OCC(=O)OC)C
InChI: InChI=1S/C24H32O8/c1-14-5-10-19-15(2)21(28-17-8-6-16(7-9-17)27-13-20(25)26-4)29-22-24(19)18(14)11-12-23(3,30-22)31-32-24/h6-9,14-15,18-19,21-22H,5,10-13H2,1-4H3/t14-,15-,18?,19?,21+,22?,23+,24-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC(=CC=C4)O)C(=O)N(C3=O)CCC(=O)O)[C@@H]5[C@H]1C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C26H26N2O9/c29-13-3-1-2-12(10-13)20-14-4-5-15-21(25(36)27(23(15)34)8-6-18(30)31)16(14)11-17-22(20)26(37)28(24(17)35)9-7-19(32)33/h1-4,10,15-17,20-22,29H,5-9,11H2,(H,30,31)(H,32,33)/t15-,16+,17+,20-,21-,22+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H20ClN3O3/c1-11-5-2-3-8-17(11)15(23)21(16(24)20-17)10-14(22)19-13-7-4-6-12(18)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,22)(H,20,24)/t11-,17-/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC=C)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)C5CC5
InChI: InChI=1S/C42H62N2O9/c1-6-22-50-31-16-17-36-34(27-31)38-32(13-9-11-20-46)30(12-8-10-19-45)26-33-35(43-53-41(3,4)5)28-37(42(52-36,39(33)38)51-23-7-2)44(18-24-49-25-21-47)40(48)29-14-15-29/h6-7,16-17,26-27,29-30,32,37-39,45-47H,1-2,8-15,18-25,28H2,3-5H3/t30-,32+,37-,38+,39+,42+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)CCC[C@@H]2[C@H]([C@@H](CC2=O)O)C#CC3(CCCCCC3)O
InChI: InChI=1S/C25H32O5/c1-30-24(28)19-11-9-18(10-12-19)7-6-8-20-21(23(27)17-22(20)26)13-16-25(29)14-4-2-3-5-15-25/h9-12,20-21,23,27,29H,2-8,14-15,17H2,1H3/t20-,21-,23-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15BrN2O2/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(22)23/h1-2,4-10,14-15,18,20H,3H2/t14-,15+,18-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)(O)OCC[N+](C)(C)C)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCC(C)C)O
InChI: InChI=1S/C59H115N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-40-51(63)60-47(48(62)39-36-33-30-27-25-24-26-29-32-35-38-46(2)3)43-72-58-56(68)54(66)52(64)49(76-58)44-73-59-57(69)55(67)53(65)50(77-59)45-75-78(70,71)74-42-41-61(4,5)6/h36,39,46-50,52-59,62,64-69H,7-35,37-38,40-45H2,1-6H3,(H-,60,63,70,71)/p+1/b39-36+/t47-,48+,49+,50+,52-,53-,54-,55-,56+,57+,58+,59+/m0/s1
SMILES: COC1=CC=CC2=C1N3C[C@@]4(C[C@H]5[C@]3([C@]26CCN7[C@H]6[C@@]8(C5)CCO[C@H]8CC7)O)[C@H]9[C@@]1(CCO9)CC(=C2[C@@]3([C@H]1N(C4O)CC3)C1=CC=CC=C1N2)C(=O)OC
InChI: InChI=1S/C43H50N4O7/c1-51-29-9-5-7-27-31(29)47-23-40(21-24-20-38-13-18-53-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)50)36-39(14-19-54-36)22-25(33(48)52-2)32-41(11-17-46(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-37,44,49-50H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37?,38+,39-,40-,41-,42+,43+/m0/s1
SMILES: CCCC[Si](CCCC)(CCCC)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)OC)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC3=CC=CC=C3)N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C38H55Cl3N4O14Si/c1-8-11-19-60(20-12-9-2,21-13-10-3)59-32-27(51-22(4)46)26(44-45-43)34(57-36(32)53-24(6)48)55-28-29(54-25-17-15-14-16-18-25)31(52-23(5)47)35(56-30(28)33(49)50-7)58-37(42)38(39,40)41/h14-18,26-32,34-36,42H,8-13,19-21H2,1-7H3/t26-,27-,28-,29+,30+,31-,32+,34-,35-,36+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)[N+](=O)[O-])OC
InChI: InChI=1S/C28H26N2O10/c1-35-19-8-14(30(33)34)4-5-18(19)29-26-16-10-21-20(39-12-40-21)9-15(16)24(25-17(26)11-38-28(25)32)13-6-22(36-2)27(31)23(7-13)37-3/h4-10,17,24-26,29,31H,11-12H2,1-3H3/t17-,24+,25-,26+/m0/s1
SMILES: C1C[C@@]23CC=CCO[C@@H]2[C@@](C1)(CN(C3)CCCC4=CC=CC=C4)CO
InChI: InChI=1S/C22H31NO2/c24-18-22-13-7-12-21(11-4-5-15-25-20(21)22)16-23(17-22)14-6-10-19-8-2-1-3-9-19/h1-5,8-9,20,24H,6-7,10-18H2/t20-,21+,22-/m0/s1
SMILES: COCCOCOC1=CC2=C(C=C1)[C@@H]([C@H](O2)CO)N(CC3=CC=C(C=C3)Br)C(=O)OCC=C
InChI: InChI=1S/C24H28BrNO7/c1-3-10-31-24(28)26(14-17-4-6-18(25)7-5-17)23-20-9-8-19(32-16-30-12-11-29-2)13-21(20)33-22(23)15-27/h3-9,13,22-23,27H,1,10-12,14-16H2,2H3/t22-,23+/m1/s1
SMILES: C1=CC=C(C(=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=O)C3=CC=CC=C3F)OC(=O)C4=CC=CC=C4F)OC(=O)C5=CC=CC=C5F)OC(=O)C6=CC=CC=C6F)F
InChI: InChI=1S/C41H27F5O11/c42-27-16-6-1-11-22(27)36(47)52-21-32-33(54-37(48)23-12-2-7-17-28(23)43)34(55-38(49)24-13-3-8-18-29(24)44)35(56-39(50)25-14-4-9-19-30(25)45)41(53-32)57-40(51)26-15-5-10-20-31(26)46/h1-20,32-35,41H,21H2/t32-,33-,34+,35-,41-/m1/s1
SMILES: C1CCC(C1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@H]4C2=O)C(=O)NCCC5=CNC6=CC=CC=C65
InChI: InChI=1S/C24H27N3O3/c28-22(25-12-10-15-13-26-18-8-4-3-7-17(15)18)20-19-9-11-24(30-19)14-27(23(29)21(20)24)16-5-1-2-6-16/h3-4,7-9,11,13,16,19-21,26H,1-2,5-6,10,12,14H2,(H,25,28)/t19-,20-,21-,24-/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@@H]3[C@H](C1=O)[C@@H](C[C@@]3(C2)C)C(=C)C
InChI: InChI=1S/C15H22O/c1-8(2)11-7-15(4)6-10-5-12(15)13(11)14(16)9(10)3/h9-13H,1,5-7H2,2-4H3/t9-,10-,11+,12-,13-,15+/m1/s1