EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H28O10/c1-14(28)32-13-22-24(33-15(2)29)25(34-16(3)30)26(35-17(4)31)27(36-22)37-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,22-27H,13H2,1-4H3/t22-,24-,25+,26-,27-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CSC6=NN=CN6C
InChI: InChI=1S/C31H30N6O4S/c1-19-27(17-42-31-36-33-18-37(31)2)40-30(41-28(19)21-9-7-20(16-38)8-10-21)22-11-13-23(14-12-22)34-29(39)26-15-32-24-5-3-4-6-25(24)35-26/h3-15,18-19,27-28,30,38H,16-17H2,1-2H3,(H,34,39)/t19-,27+,28+,30+/m1/s1
SMILES: CCOC(=O)C1=C(N=C2C[C@H]([C@H](C(=O)[C@@H]2[C@@H]1C3=CC=C(C=C3)F)C(=O)OC)C)C
InChI: InChI=1S/C22H24FNO5/c1-5-29-22(27)17-12(3)24-15-10-11(2)16(21(26)28-4)20(25)19(15)18(17)13-6-8-14(23)9-7-13/h6-9,11,16,18-19H,5,10H2,1-4H3/t11-,16-,18-,19+/m1/s1
SMILES: CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=C[N+](=CC=C5)[O-])O)C)OCC6=CC=CC=C6)C)OC(=O)C)C
InChI: InChI=1S/C36H41NO10/c1-21(38)44-20-35(4)27-17-29(43-19-23-10-7-6-8-11-23)36(5)32(34(27,3)14-13-28(35)45-22(2)39)31(40)30-26(47-36)16-25(46-33(30)41)24-12-9-15-37(42)18-24/h6-12,15-16,18,27-29,31-32,40H,13-14,17,19-20H2,1-5H3/t27-,28+,29+,31+,32-,34+,35+,36-/m1/s1
SMILES: CN1C[C@@H](C[C@@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CN5CC(=O)NC(=O)C5
InChI: InChI=1S/C21H26N4O2/c1-23-8-13(9-25-11-19(26)22-20(27)12-25)6-16-15-4-3-5-17-21(15)14(7-18(16)23)10-24(17)2/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3,(H,22,26,27)/t13-,16+,18-/m1/s1
SMILES: CCOC1=CC(=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3OC)O
InChI: InChI=1S/C21H23N3O5/c1-4-29-13-9-10-14(16(25)11-13)19-18(12(2)22-21(27)24-19)20(26)23-15-7-5-6-8-17(15)28-3/h5-11,18-19,25H,2,4H2,1,3H3,(H,23,26)(H2,22,24,27)/t18-,19-/m1/s1
SMILES: C1[C@@H]([C@](C(=O)N=C1C(=O)C2=CC=CC=C2)(C#N)Cl)C3=CC=CC=C3F
InChI: InChI=1S/C19H12ClFN2O2/c20-19(11-22)14(13-8-4-5-9-15(13)21)10-16(23-18(19)25)17(24)12-6-2-1-3-7-12/h1-9,14H,10H2/t14-,19+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3[C@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)C(=O)O)C6=CC=CC=C6
InChI: InChI=1S/C25H23NO2/c27-25(28)17-12-21-18-9-4-8-16(18)14-26-23(15-6-2-1-3-7-15)20-11-5-10-19(20)22(13-17)24(21)26/h1-7,9-10,12-13,16,18-20,23H,8,11,14H2,(H,27,28)/t16-,18-,19+,20-,23+/m1/s1
SMILES: C[C@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(NC#N)OC3=CC=CC=C3)O)C4OCCO4
InChI: InChI=1S/C21H20N4O7/c1-21(19-29-9-10-30-19)18(26)17(15-11-13(25(27)28)7-8-16(15)32-21)24-20(23-12-22)31-14-5-3-2-4-6-14/h2-8,11,17-19,26H,9-10H2,1H3,(H,23,24)/t17-,18+,21+/m1/s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H26N2O3/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)13-14-23-20(25)17-7-4-5-8-18(17)21(23)26/h4-5,9-12,17-18H,2-3,6-8,13-14H2,1H3,(H,22,24)/t17-,18+
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3[N+](=O)[O-])Cl)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl3N2O2/c19-10-7-13-11-2-1-3-12(11)17(9-4-5-14(20)15(21)6-9)22-18(13)16(8-10)23(24)25/h1-2,4-8,11-12,17,22H,3H2/t11-,12-,17-/m1/s1
SMILES: CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)OC
InChI: InChI=1S/C22H30N2O6/c1-4-29-18-11-9-16(13-19(18)28-3)10-12-21(26)30-14-20(25)24-22(27)23-17-8-6-5-7-15(17)2/h9-13,15,17H,4-8,14H2,1-3H3,(H2,23,24,25,27)/b12-10+/t15-,17+/m0/s1
SMILES: CCN1C(=CC(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3)C4CCN(CC4)C[C@H]5CN(C[C@@H]5C6=CC(=CC=C6)F)[C@H](C7CCCCC7)C(=O)O
InChI: InChI=1S/C42H51FN4O2/c1-2-47-40(26-38(44-47)24-30-16-18-32(19-17-30)31-10-5-3-6-11-31)33-20-22-45(23-21-33)27-36-28-46(29-39(36)35-14-9-15-37(43)25-35)41(42(48)49)34-12-7-4-8-13-34/h3,5-6,9-11,14-19,25-26,33-34,36,39,41H,2,4,7-8,12-13,20-24,27-29H2,1H3,(H,48,49)/t36-,39+,41+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)C=N[C@H](CC2=CC=CC=C2)C(=O)OC)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C27H35NO2/c1-20-15-16-24(27(2,3)23-13-9-6-10-14-23)22(17-20)19-28-25(26(29)30-4)18-21-11-7-5-8-12-21/h5-14,19-20,22,24-25H,15-18H2,1-4H3/t20-,22+,24-,25-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=C(N2CC(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H34N4O2S/c1-15(2)14-27-21(18-10-12-19(29-5)13-11-18)25-26-23(27)30-17(4)22(28)24-20-9-7-6-8-16(20)3/h10-13,15-17,20H,6-9,14H2,1-5H3,(H,24,28)/t16-,17-,20-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CC(=O)N[C@@H](C)C(=O)OCC2=CC=CC=C2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H56N4O11SSi2/c1-23-18-40(33(44)39(30(23)42)19-28(41)38-24(2)32(43)47-20-25-16-14-13-15-17-25)31-29(50-54(11,12)35(6,7)8)36(26(37)22-52(45,46)51-36)27(49-31)21-48-53(9,10)34(3,4)5/h13-18,22,24,27,29,31H,19-21,37H2,1-12H3,(H,38,41)/t24-,27+,29-,31+,36?/m0/s1
SMILES: CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C47H92O12/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-47(35-56-45-43(54)41(52)39(50)37(33-48)58-45,36-57-46-44(55)42(53)40(51)38(34-49)59-46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-46,48-55H,3-36H2,1-2H3/t37-,38-,39+,40+,41+,42+,43-,44-,45-,46-/m1/s1
SMILES: CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)S(=O)(=O)C
InChI: InChI=1S/C23H28N2O3S/c1-16-3-5-17(6-4-16)15-25(29(2,27)28)21-11-9-19(10-12-21)23(26)24-22-14-18-7-8-20(22)13-18/h3-6,9-12,18,20,22H,7-8,13-15H2,1-2H3,(H,24,26)/t18-,20-,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@@H]1C[C@]3([C@@H](C[C@@]2(OC3(C)C)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14+,15-,16+,17-,18-,20+,21-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)N/N=C\2/C[C@H]3[C@@H]2C=CC3
InChI: InChI=1S/C18H23N3O/c1-3-21(4-2)15-10-8-13(9-11-15)18(22)20-19-17-12-14-6-5-7-16(14)17/h5,7-11,14,16H,3-4,6,12H2,1-2H3,(H,20,22)/b19-17-/t14-,16-/m0/s1
SMILES: CC1=CC2=C(C=C1)OC[C@@H]([C@](S2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O
InChI: InChI=1S/C25H32N2O4S/c1-19-9-10-21-22(17-19)32-25(24(29)30-2,23(28)18-31-21)11-6-12-26-13-15-27(16-14-26)20-7-4-3-5-8-20/h3-5,7-10,17,23,28H,6,11-16,18H2,1-2H3/t23-,25+/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)C4=CN=CC=C4)CSC5=CC=CC=C5
InChI: InChI=1S/C31H30N2O4S/c1-21-28(20-38-27-7-3-2-4-8-27)36-31(37-29(21)23-11-9-22(19-34)10-12-23)24-13-15-26(16-14-24)33-30(35)25-6-5-17-32-18-25/h2-18,21,28-29,31,34H,19-20H2,1H3,(H,33,35)/t21-,28+,29+,31+/m0/s1
SMILES: CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)[C@@H]5CCCC[C@H]5C4=O
InChI: InChI=1S/C23H24N2O3S3/c1-12-8-9-16-15(10-12)18-19(30-31-22(18)29)23(2,3)25(16)17(26)11-24-20(27)13-6-4-5-7-14(13)21(24)28/h8-10,13-14H,4-7,11H2,1-3H3/t13-,14-/m1/s1
SMILES: C1[C@@H](C[C@H]2[C@H]1[C@H](OC3=C2C=C(C=C3)O)C4=CC=C(C=C4)O)C(F)(F)F
InChI: InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14-,16+,18-/m1/s1
SMILES: CCCC[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=C(CCCCCS(=O)(=O)N1)C=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H49N5O8S2/c1-3-5-15-33-38(47)45-25-29(22-35(45)37(46)42-40(24-28(40)4-2)39(48)44-55(51,52)30-17-18-30)53-36-23-34(27-13-9-6-10-14-27)41-32-19-16-26(21-31(32)36)12-8-7-11-20-54(49,50)43-33/h4,6,9-10,13-14,16,19,21,23,28-30,33,35,43H,2-3,5,7-8,11-12,15,17-18,20,22,24-25H2,1H3,(H,42,46)(H,44,48)/t28-,29-,33+,35+,40-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@@]4([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OCC(=C)CO4)C)O[C@@H]5[C@H]([C@@H](C[C@@H](O5)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C36H59N3O9/c1-12-26-36(9)30-22(5)27(37-13-14-39(30)34(42)48-36)20(3)16-35(8)31(47-33-28(40)25(38(10)11)15-21(4)45-33)23(6)29(24(7)32(41)46-26)43-17-19(2)18-44-35/h20-26,28-31,33,40H,2,12-18H2,1,3-11H3/t20-,21+,22+,23+,24-,25-,26-,28+,29+,30-,31-,33-,35-,36-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)[C@@H](CCSC)C(=O)[O-]
InChI: InChI=1S/C17H19NO4S3/c1-9-7-11(9)13-4-3-10(22-13)8-14-15(19)18(17(23)25-14)12(16(20)21)5-6-24-2/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,20,21)/p-1/b14-8-/t9-,11-,12-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC2=CC(=CC=C2)F
InChI: InChI=1S/C19H28FN3O2/c1-13-7-4-5-10-17(13)22-19(25)14(2)23(3)12-18(24)21-16-9-6-8-15(20)11-16/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t13-,14-,17+/m1/s1
SMILES: CCCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C19H21NO4/c1-2-8-24-19(23)13-4-3-5-14(10-13)20-17(21)15-11-6-7-12(9-11)16(15)18(20)22/h3-5,10-12,15-16H,2,6-9H2,1H3/t11-,12-,15-,16-/m0/s1
SMILES: C[C@@H](C1=CC(=NC2=C1C=C[C@H]3[C@@H]2O3)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H27NO4Si/c1-11(24-25(6,7)19(2,3)4)13-10-14(18(21)22-5)20-16-12(13)8-9-15-17(16)23-15/h8-11,15,17H,1-7H3/t11-,15-,17-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@H](CCSC2=CC=CC=C2)CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H35NO3SSi/c1-15(25-27(5,6)21(2,3)4)18-19(22-20(18)24)16(14-23)12-13-26-17-10-8-7-9-11-17/h7-11,15-16,18-19,23H,12-14H2,1-6H3,(H,22,24)/t15-,16-,18-,19-/m1/s1
SMILES: C[C@@H]([C@@H]1CC[C@@H]([C@H](O1)OC)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C13H25NO5/c1-8(14-12(16)19-13(2,3)4)10-7-6-9(15)11(17-5)18-10/h8-11,15H,6-7H2,1-5H3,(H,14,16)/t8-,9-,10-,11-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@H]6[C@]5(C[C@H]4OC(=O)C)CC6=O)O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H52O17/c1-17-31(52-21(5)42)32(53-22(6)43)33(54-23(7)44)34(49-17)55-24-12-29(51-20(4)41)37(16-48-18(2)39)30-26(8-10-36(37,46)13-24)38(47)11-9-25-27(45)14-35(25,38)15-28(30)50-19(3)40/h17,24-26,28-34,46-47H,8-16H2,1-7H3/t17-,24-,25+,26+,28+,29+,30+,31-,32+,33+,34-,35+,36-,37+,38-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H](C[NH+]1C)C)[NH2+]CC[C@@H](C2=CC=CC=C2OC)C3=CC=CO3
InChI: InChI=1S/C22H32N2O2/c1-16-15-24(3)17(2)14-20(16)23-12-11-19(22-10-7-13-26-22)18-8-5-6-9-21(18)25-4/h5-10,13,16-17,19-20,23H,11-12,14-15H2,1-4H3/p+2/t16-,17-,19+,20+/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)OC(=O)C)OC(=O)C)COC
InChI: InChI=1S/C29H43NO8/c1-7-30-13-27(14-34-5)9-8-23(36-15(2)31)29-19-10-18-21(35-6)12-28(38-17(4)33,20(26(29)30)11-22(27)29)24(19)25(18)37-16(3)32/h18-26H,7-14H2,1-6H3/t18-,19-,20+,21+,22-,23+,24-,25+,26-,27+,28+,29-/m1/s1
SMILES: CN1C(=CC=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-])N
InChI: InChI=1S/C18H20N8O5S2/c1-24-10(19)3-4-25(24)5-8-6-32-16-12(15(28)26(16)13(8)17(29)30)22-14(27)11(23-31-2)9-7-33-18(20)21-9/h3-4,7,12,16,19H,5-6H2,1-2H3,(H4,20,21,22,27,29,30)/b23-11-/t12-,16-/m1/s1
SMILES: C1CN(CCN1)C(=O)OCC2=CN(N=N2)C[C@@H]3[C@H]([C@@H]([C@H](N3)CO)O)O
InChI: InChI=1S/C14H24N6O5/c21-7-11-13(23)12(22)10(16-11)6-20-5-9(17-18-20)8-25-14(24)19-3-1-15-2-4-19/h5,10-13,15-16,21-23H,1-4,6-8H2/t10-,11-,12-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C
InChI: InChI=1S/C22H31N5O2S/c1-14(2)12-13-27-21(29)17-10-6-5-9-16(17)19(26-27)20(28)24-25-22(30)23-18-11-7-4-8-15(18)3/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,24,28)(H2,23,25,30)/t15-,18-/m0/s1
SMILES: C[C@]1([C@H]([C@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C42H44O6/c1-42(48-31-36-25-15-6-16-26-36)40(46-29-34-21-11-4-12-22-34)37(43)38(44-27-32-17-7-2-8-18-32)39(45-28-33-19-9-3-10-20-33)41(42)47-30-35-23-13-5-14-24-35/h2-26,37-41,43H,27-31H2,1H3/t37-,38+,39-,40-,41+,42+/m0/s1
SMILES: CC(=O)O[C@@H]1COC([C@@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O
InChI: InChI=1S/C14H20ClN3O9/c1-7(19)25-10-6-24-13(16-14(22)18(17-23)5-4-15)12(27-9(3)21)11(10)26-8(2)20/h10-13H,4-6H2,1-3H3,(H,16,22)/t10-,11-,12-,13?/m1/s1
SMILES: C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC(=C(C=C2)C(=O)O)O)C(=O)O
InChI: InChI=1S/C15H15NO6/c17-12-7-8(5-6-11(12)15(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)(H,21,22)/t9-,10-/m1/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=CC6=CC=CC=C65)O)C(=O)NC4=O)Cl
InChI: InChI=1S/C25H20Cl2N2O5/c1-29-22(33)24(26)10-15-13(7-8-14-17(15)21(32)28-20(14)31)19(25(24,27)23(29)34)18-12-5-3-2-4-11(12)6-9-16(18)30/h2-7,9,14-15,17,19,30H,8,10H2,1H3,(H,28,31,32)/t14-,15+,17-,19+,24+,25-/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)O
InChI: InChI=1S/C21H31N3O2/c25-20-7-5-19(6-8-20)23-13-11-22(12-14-23)16-21(26)24-10-9-17-3-1-2-4-18(17)15-24/h5-8,17-18,25H,1-4,9-16H2/t17-,18+/m1/s1
SMILES: COC(=O)N1[C@@H](C[C@@H]2[C@H]1C3=CC4=CC=CC=C4C=C3C2)CO
InChI: InChI=1S/C18H19NO3/c1-22-18(21)19-15(10-20)8-14-7-13-6-11-4-2-3-5-12(11)9-16(13)17(14)19/h2-6,9,14-15,17,20H,7-8,10H2,1H3/t14-,15+,17+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C29H28N2O6/c1-29-21(26(34)31(28(29)36)15-7-5-4-6-8-15)14-19-17(10-11-18-23(19)27(35)30(2)25(18)33)24(29)20-13-16(37-3)9-12-22(20)32/h4-10,12-13,18-19,21,23-24,32H,11,14H2,1-3H3/t18-,19+,21-,23-,24+,29+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@@]3([C@H]4N2C5=CC=CC=C5C=C4)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CO7
InChI: InChI=1S/C31H22N2O4/c34-28(20-10-2-1-3-11-20)27-26(29(35)24-15-8-18-37-24)31(21-12-5-6-13-22(21)32-30(31)36)25-17-16-19-9-4-7-14-23(19)33(25)27/h1-18,25-27H,(H,32,36)/t25-,26+,27+,31-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@H]([C@H](N2C(=O)N3CCC(CC3)N4CCCC4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl.Cl
InChI: InChI=1S/C37H44Cl2N4O2.ClH/c1-5-45-32-24-27(37(2,3)4)12-17-31(32)35-40-33(25-8-13-28(38)14-9-25)34(26-10-15-29(39)16-11-26)43(35)36(44)42-22-18-30(19-23-42)41-20-6-7-21-41;/h8-17,24,30,33-34H,5-7,18-23H2,1-4H3;1H/t33-,34+;/m0./s1
SMILES: CC1=C(SC(=C1C(=O)OC)N2C(=O)[C@H]3[C@H]4CCCN4[C@]5([C@@H]3C2=O)C6=C(C=CC(=C6)Cl)NC5=O)C
InChI: InChI=1S/C24H22ClN3O5S/c1-10-11(2)34-21(16(10)22(31)33-3)28-19(29)17-15-5-4-8-27(15)24(18(17)20(28)30)13-9-12(25)6-7-14(13)26-23(24)32/h6-7,9,15,17-18H,4-5,8H2,1-3H3,(H,26,32)/t15-,17+,18+,24+/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]([C@@H]2Br)Br)C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C15H11Br2Cl2NO2/c16-12-8-4-9(13(12)17)11-10(8)14(21)20(15(11)22)7-2-5(18)1-6(19)3-7/h1-3,8-13H,4H2/t8-,9+,10+,11-,12-,13-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)[C@H](C[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI: InChI=1S/C29H61O4Si2.3C4H9.Sn/c1-22(2)25-16-15-23(3)19-27(25)31-21-30-18-17-26(33-35(13,14)29(8,9)10)24(4)20-32-34(11,12)28(5,6)7;3*1-3-4-2;/h18,22-27H,15-17,19-21H2,1-14H3;3*1,3-4H2,2H3;/t23-,24-,25+,26+,27-;;;;/m1..../s1
SMILES: C[C@]12CCC[C@@]([C@@H]1CC(=O)C3=CC=CC=C23)(C)C(=O)OC
InChI: InChI=1S/C18H22O3/c1-17-9-6-10-18(2,16(20)21-3)15(17)11-14(19)12-7-4-5-8-13(12)17/h4-5,7-8,15H,6,9-11H2,1-3H3/t15-,17-,18-/m1/s1
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)C(=O)N
InChI: InChI=1S/C14H22N4O10/c15-11(25)12-16-3-18(17-12)13-9(23)7(21)5(27-13)2-26-14-10(24)8(22)6(20)4(1-19)28-14/h3-10,13-14,19-24H,1-2H2,(H2,15,25)/t4-,5-,6-,7-,8+,9-,10-,13-,14-/m1/s1
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)[C@H]3[C@@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C22H18O3/c23-20(22-21(25-22)17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-15-16-9-3-1-4-10-16/h1-14,21-22H,15H2/t21-,22-/m0/s1
SMILES: C1=CC2=C(C=CC=N2)C(=C1)NC(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)NCC5=CN=CC=C5)O4
InChI: InChI=1S/C23H20N4O3/c28-22(26-13-14-4-2-10-24-12-14)20-18-8-9-19(30-18)21(20)23(29)27-17-7-1-6-16-15(17)5-3-11-25-16/h1-12,18-21H,13H2,(H,26,28)(H,27,29)/t18-,19+,20-,21+/m0/s1
SMILES: CC1=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)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)N(C)C7=C(C=CC(=N7)C(F)(F)F)Cl)O
InChI: InChI=1S/C34H21Cl3F8N4O5/c1-11-4-3-5-14(26(11)50)19-12-6-7-13-18(29(52)49(28(13)51)47(2)27-16(35)8-9-17(46-27)34(43,44)45)15(12)10-32(36)30(53)48(31(54)33(19,32)37)25-23(41)21(39)20(38)22(40)24(25)42/h3-6,8-9,13,15,18-19,50H,7,10H2,1-2H3/t13-,15+,18-,19+,32+,33-/m0/s1
SMILES: C1CN[C@H]([C@@H](N1)C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C24H22N2/c1-3-7-19-15-21(11-9-17(19)5-1)23-24(26-14-13-25-23)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23-26H,13-14H2/t23-,24-/m0/s1
SMILES: C[C@H](CCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)[C@H]2CCC3[C@@]2([C@H](CC4C3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI: InChI=1S/C33H49NO6/c1-19(4-13-30(38)34-28(31(39)40)16-20-5-8-22(35)9-6-20)25-11-12-26-24-10-7-21-17-23(36)14-15-32(21,2)27(24)18-29(37)33(25,26)3/h5-6,8-9,19,21,23-29,35-37H,4,7,10-18H2,1-3H3,(H,34,38)(H,39,40)/t19-,21-,23-,24?,25-,26?,27?,28+,29+,32+,33-/m1/s1
SMILES: C[C@]1(C(=C[C@H]2C(=O)[C@@]1(C3=C4[C@H](C2(C)C)C(=O)NC4=CC=C3)SC#N)Cl)C=C
InChI: InChI=1S/C21H19ClN2O2S/c1-5-20(4)14(22)9-12-17(25)21(20,27-10-23)11-7-6-8-13-15(11)16(18(26)24-13)19(12,2)3/h5-9,12,16H,1H2,2-4H3,(H,24,26)/t12-,16-,20+,21+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C=C(N=N3)COC4=CC=CC=C4)NS(=O)(=O)C5=CC=CS5
InChI: InChI=1S/C19H20N4O5S2/c24-30(25,17-7-4-8-29-17)21-15-11-27-19-16(12-28-18(15)19)23-9-13(20-22-23)10-26-14-5-2-1-3-6-14/h1-9,15-16,18-19,21H,10-12H2/t15-,16-,18+,19+/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)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC[C@H]6CN7CCCC7
InChI: InChI=1S/C45H56N4O6S/c1-32-12-22-40(23-13-32)56(52,53)47-41(27-34-9-4-3-5-10-34)44(51)46-28-35-14-20-38(21-15-35)45-54-42(30-49-26-8-11-39(49)29-48-24-6-7-25-48)33(2)43(55-45)37-18-16-36(31-50)17-19-37/h3-5,9-10,12-23,33,39,41-43,45,47,50H,6-8,11,24-31H2,1-2H3,(H,46,51)/t33-,39-,41+,42+,43+,45+/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)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)Br)O
InChI: InChI=1S/C42H34BrNO6/c1-2-50-35-21-25(13-20-34(35)45)38-29-18-19-30-37(41(49)44(40(30)48)28-16-14-27(43)15-17-28)32(29)22-33-39(47)31(24-9-5-3-6-10-24)23-36(46)42(33,38)26-11-7-4-8-12-26/h3-18,20-21,23,30,32-33,37-38,45H,2,19,22H2,1H3/t30-,32+,33-,37-,38-,42-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H22N2O5/c1-12-6-5-7-13(2)18(12)21-16(23)11-27-17(24)10-22-19(25)14-8-3-4-9-15(14)20(22)26/h3-7,14-15H,8-11H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C(=O)N(C3=O)C5=CC=C(C=C5)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C33H23Cl2F3N2O6/c34-15-1-5-17(6-2-15)39-29(42)21-11-10-20-22(27(21)31(39)44)14-24-28(32(45)40(30(24)43)18-7-3-16(35)4-8-18)26(20)23-13-19(9-12-25(23)41)46-33(36,37)38/h1-10,12-13,21-22,24,26-28,41H,11,14H2/t21-,22+,24+,26+,27-,28+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC
InChI: InChI=1S/C21H30N2O6/c1-13-6-5-7-18(14(13)2)23-19(24)12-29-20(25)11-22-21(26)15-8-16(27-3)10-17(9-15)28-4/h8-10,13-14,18H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,24)/t13-,14-,18-/m1/s1
SMILES: CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@@H]2C[C@@H]1[C@@H]5[C@@H]3C(=O)N(C5=O)CCO)(CCC[C@@]4(C)C(=O)[O-])C
InChI: InChI=1S/C26H37NO5/c1-14(2)16-13-26-9-6-17-24(3,7-5-8-25(17,4)23(31)32)18(26)12-15(16)19-20(26)22(30)27(10-11-28)21(19)29/h13-15,17-20,28H,5-12H2,1-4H3,(H,31,32)/p-1/t15-,17+,18-,19+,20+,24-,25+,26-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O
InChI: InChI=1S/C35H44N4O15/c1-15(42)36-26-30(47)31(54-34-27(37-16(2)43)29(46)28(45)23(12-40)53-34)24(13-41)52-32(26)39-25(44)11-22(33(48)49)38-35(50)51-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,21-24,26-32,34,40-41,45-47H,11-14H2,1-2H3,(H,36,42)(H,37,43)(H,38,50)(H,39,44)(H,48,49)/t22-,23+,24+,26+,27+,28+,29+,30+,31+,32+,34-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC(=CC=C5)N(C)C)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C49H56N2O14/c1-26-33(63-45(59)38(55)37(31-20-15-21-32(22-31)51(7)8)50-43(57)29-16-11-9-12-17-29)24-49(60)42(64-44(58)30-18-13-10-14-19-30)40-47(6,34(54)23-35-48(40,25-61-35)65-28(3)53)41(56)39(62-27(2)52)36(26)46(49,4)5/h9-22,33-35,37-40,42,54-55,60H,23-25H2,1-8H3,(H,50,57)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4
InChI: InChI=1S/C21H24N6O3/c1-14-7-5-6-10-17(14)24-21(30)25-18(28)12-26-13-22-19-16(20(26)29)11-23-27(19)15-8-3-2-4-9-15/h2-4,8-9,11,13-14,17H,5-7,10,12H2,1H3,(H2,24,25,28,30)/t14-,17+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4C5=CN=CC=C5)C)C
InChI: InChI=1S/C26H37NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-5,14,16,19-24H,6-13,15H2,1-3H3/t19-,20-,21-,22?,23-,24-,25-,26+/m0/s1
SMILES: CCOC(=O)N(CCOCCO)[C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C45H63FN2O10/c1-6-24-56-45-40(48(43(52)54-7-2)20-25-53-26-23-51)29-38(47-58-44(3,4)5)35-27-31(14-10-12-21-49)34(16-11-13-22-50)41(42(35)45)36-28-33(18-19-39(36)57-45)55-30-32-15-8-9-17-37(32)46/h6,8-9,15,17-19,27-28,31,34,40-42,49-51H,1,7,10-14,16,20-26,29-30H2,2-5H3/t31-,34+,40-,41+,42+,45+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C
InChI: InChI=1S/C19H28N2O4S/c1-10-7-6-8-15(11(10)2)21-16(23)9-25-19(24)17-12(3)13(4)26-18(17)20-14(5)22/h10-11,15H,6-9H2,1-5H3,(H,20,22)(H,21,23)/t10-,11+,15+/m1/s1
SMILES: CCCCOC(=O)CN(C)CC1=C(N2[C@H](S1)[C@H](C2=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)OCC=C
InChI: InChI=1S/C25H42N2O6SSi/c1-10-12-14-31-19(28)16-26(7)15-18-21(24(30)32-13-11-2)27-22(29)20(23(27)34-18)17(3)33-35(8,9)25(4,5)6/h11,17,20,23H,2,10,12-16H2,1,3-9H3/t17-,20+,23-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C(=O)O)O)C
InChI: InChI=1S/C20H28O4/c1-18-8-5-13(21)11-12(18)3-4-14-15(18)6-9-19(2)16(14)7-10-20(19,24)17(22)23/h11,14-16,24H,3-10H2,1-2H3,(H,22,23)/t14-,15+,16+,18+,19+,20-/m1/s1
SMILES: CC1=C(SC=C1)[C@H]2[C@@H](C(=O)N2CC3=CC4=C(C=C3)OCO4)OC5=CC=C(C=C5)OC
InChI: InChI=1S/C23H21NO5S/c1-14-9-10-30-22(14)20-21(29-17-6-4-16(26-2)5-7-17)23(25)24(20)12-15-3-8-18-19(11-15)28-13-27-18/h3-11,20-21H,12-13H2,1-2H3/t20-,21+/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@@H]3[C@@H]1C(=NNC(=O)OCC4=CC=CC=C4)C[C@H]([C@H]3O)O)C(=O)N(C2=O)CC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C28H29N3O8/c32-20-11-19(29-30-28(36)37-13-15-4-2-1-3-5-15)17-7-8-18-24(23(17)25(20)33)27(35)31(26(18)34)12-16-6-9-21-22(10-16)39-14-38-21/h1-6,9-10,17-18,20,23-25,32-33H,7-8,11-14H2,(H,30,36)/t17-,18+,20+,23-,24+,25+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NN5C=C(N=C5S4)C(=O)N)C(=O)O.[Na]
InChI: InChI=1S/C19H17N9O6S4.Na/c1-34-26-9(8-5-36-17(21)22-8)13(30)24-10-14(31)28-11(16(32)33)6(3-35-15(10)28)4-37-19-25-27-2-7(12(20)29)23-18(27)38-19;/h2,5,10,15H,3-4H2,1H3,(H2,20,29)(H2,21,22)(H,24,30)(H,32,33);/b26-9-;/t10-,15-;/m1./s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)O[C@H]2CSC[C@H]2NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H23NO6S/c1-25-16-9-14(10-17(26-2)19(16)27-3)21(24)28-18-12-29-11-15(18)22-20(23)13-7-5-4-6-8-13/h4-10,15,18H,11-12H2,1-3H3,(H,22,23)/t15-,18+/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)F)CO
InChI: InChI=1S/C11H14FN5O2/c12-7-5(2-18)1-6(9(7)19)17-4-16-8-10(13)14-3-15-11(8)17/h3-7,9,18-19H,1-2H2,(H2,13,14,15)/t5-,6-,7-,9+/m1/s1
SMILES: COC1=CC=CC=C1CCN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO)C(=O)CC5=CC=CC=C5
InChI: InChI=1S/C34H36N2O8/c1-42-27-11-7-6-10-23(27)12-14-36(29(39)18-21-8-4-3-5-9-21)26-19-25(34(41)35-13-15-37)30-24-16-22(20-38)17-28(43-2)32(24)44-33(30)31(26)40/h3-11,16-17,19-20,26,30-31,33,37,40H,12-15,18H2,1-2H3,(H,35,41)/t26-,30+,31+,33+/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H](C3=C2COC(=O)N)N4)N5CC5
InChI: InChI=1S/C16H16N4O4/c1-6-11(19-2-3-19)15(22)9-7(5-24-16(17)23)12-10-8(18-10)4-20(12)13(9)14(6)21/h8,10,18H,2-5H2,1H3,(H2,17,23)/t8-,10-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]2[C@H]3CC=C[C@H]3C4=C(N2C1=O)C=CC(=C4)OC)NC5=CC=C(C=C5)OC
InChI: InChI=1S/C24H26N2O4/c1-28-15-9-7-14(8-10-15)25-21-22-18-6-4-5-17(18)19-13-16(29-2)11-12-20(19)26(22)24(27)23(21)30-3/h4-5,7-13,17-18,21-23,25H,6H2,1-3H3/t17-,18+,21+,22-,23-/m1/s1