EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC(CC)(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O
InChI: InChI=1S/C29H48O2/c1-6-29(31,7-2)19-8-10-22(4)26-16-17-27-23(11-9-18-28(26,27)5)13-14-24-20-25(30)15-12-21(24)3/h13-14,22,25-27,30-31H,3,6-12,15-20H2,1-2,4-5H3/b23-13+,24-14-/t22-,25+,26-,27+,28-/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC=CC=C4C)C#N
InChI: InChI=1S/C17H16N4O2/c1-10-5-3-4-6-12(10)13-15(8-18)14(20)21-17(16(13,15)9-19)22-7-11(2)23-17/h3-6,11,13H,7H2,1-2H3,(H2,20,21)/p+1/t11-,13+,15+,16+,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC4=C2N(N=C4)C)CCC5=C3C=CC(=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C27H30N2O/c1-27-13-12-23-22-11-9-21(30-17-18-6-4-3-5-7-18)14-19(22)8-10-24(23)25(27)15-20-16-28-29(2)26(20)27/h3-7,9,11,14,16,23-25H,8,10,12-13,15,17H2,1-2H3/t23-,24-,25+,27+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl
InChI: InChI=1S/C24H18ClN3O5/c25-19-12-11-17(28(31)32)13-18(19)21-20-22(33-27(21)16-9-5-2-6-10-16)24(30)26(23(20)29)14-15-7-3-1-4-8-15/h1-13,20-22H,14H2/t20-,21-,22-/m0/s1
SMILES: CCCC[C@@H]1C=CC(=C(Cl)Cl)[C@H]([C@@H]1[N+](=O)[O-])CCCC
InChI: InChI=1S/C15H23Cl2NO2/c1-3-5-7-11-9-10-13(15(16)17)12(8-6-4-2)14(11)18(19)20/h9-12,14H,3-8H2,1-2H3/t11-,12-,14-/m1/s1
SMILES: C[C@H](CCC(=O)[C@@H](C)[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C)CO
InChI: InChI=1S/C31H48O6/c1-18(17-32)7-10-27(35)19(2)29-28(37-21(4)34)16-26-24-9-8-22-15-23(36-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29,32H,7,9-17H2,1-6H3/t18-,19-,23+,24-,25+,26+,28+,29+,30+,31+/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChI: InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C34H33NO6/c1-18-14-27(37)30-25(31(18)38)16-24-21(12-13-23-29(24)33(40)35(32(23)39)34(2,3)4)28(30)22-11-10-20(15-26(22)36)41-17-19-8-6-5-7-9-19/h5-12,14-15,23-24,28-29,36H,13,16-17H2,1-4H3/t23-,24+,28+,29-/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)C(=O)O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C36H34O7/c37-34(29-18-10-11-19-30(29)36(40)43-24-27-16-8-3-9-17-27)33-31(41-22-25-12-4-1-5-13-25)20-28(35(38)39)21-32(33)42-23-26-14-6-2-7-15-26/h1-9,12-17,20-21,29-30H,10-11,18-19,22-24H2,(H,38,39)/t29-,30+/m0/s1
SMILES: C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)NCCCC(=O)NCCCCCCN
InChI: InChI=1S/C41H62N4O4/c1-36(2)16-18-41(35(49)45-22-12-13-32(47)44-21-11-9-8-10-20-42)19-17-40(7)33(28(41)25-36)29(46)23-31-38(5)24-27(26-43)34(48)37(3,4)30(38)14-15-39(31,40)6/h23-24,28,30,33H,8-22,25,42H2,1-7H3,(H,44,47)(H,45,49)/t28-,30-,33-,38-,39+,40+,41-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C20H24N2O5/c23-19(21-13-5-8-15-6-1-3-9-17(15)21)14-27-20(24)12-11-16-7-2-4-10-18(16)22(25)26/h2,4,7,10-12,15,17H,1,3,5-6,8-9,13-14H2/b12-11+/t15-,17-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CN4C=[N+](C=C4S3)C)O
InChI: InChI=1S/C15H15N3O4S/c1-7(19)12-9-3-8(13(15(21)22)18(9)14(12)20)10-4-17-6-16(2)5-11(17)23-10/h4-7,9,12,19H,3H2,1-2H3/p+1/t7-,9-,12-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H]1C[C@H](OC[C@@H]1CC(=O)NO)CO
InChI: InChI=1S/C22H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(26)29-20-15-19(16-24)28-17-18(20)14-21(25)23-27/h18-20,24,27H,2-17H2,1H3,(H,23,25)/t18-,19-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)CC3=CC=CC=C3C
InChI: InChI=1S/C22H29N3O5/c1-15-8-4-5-10-17(15)12-24(3)18(26)14-30-19(27)13-25-20(28)22(23-21(25)29)11-7-6-9-16(22)2/h4-5,8,10,16H,6-7,9,11-14H2,1-3H3,(H,23,29)/t16-,22+/m0/s1
SMILES: C[C@]12CC[C@@](O1)(O[C@@H]3C[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@]6(C3[C@@H]2CC6)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C(C)(C)O
InChI: InChI=1S/C41H68O13/c1-35(2)24-10-14-38(6)25(17-22-27-20(9-13-39(27,38)7)40(8)15-16-41(53-22,54-40)36(3,4)48)37(24,5)12-11-26(35)51-34-32(28(44)21(43)19-49-34)52-33-31(47)30(46)29(45)23(18-42)50-33/h20-34,42-48H,9-19H2,1-8H3/t20-,21+,22+,23+,24?,25+,26-,27?,28-,29+,30-,31+,32+,33-,34-,37-,38+,39+,40+,41-/m0/s1
SMILES: C[C@]12C[C@@H](C3C4=C(CC[C@]3(C1CC[C@@H]2O)C=C)C=C(C=C4)O)C5=CC=C(C=C5)OCCCCCS(=O)CCCC(C(F)(F)F)(F)F
InChI: InChI=1S/C36H45F5O4S/c1-3-34-18-16-25-22-26(42)10-13-28(25)32(34)29(23-33(2)30(34)14-15-31(33)43)24-8-11-27(12-9-24)45-19-5-4-6-20-46(44)21-7-17-35(37,38)36(39,40)41/h3,8-13,22,29-32,42-43H,1,4-7,14-21,23H2,2H3/t29-,30?,31+,32?,33+,34+,46?/m1/s1
SMILES: CC1(O[C@H]2[C@@H](C=C([C@H]2O1)CCO[Si](C)(C)C(C)(C)C)N3C=NC4=C(N=CN=C43)N)C
InChI: InChI=1S/C21H33N5O3Si/c1-20(2,3)30(6,7)27-9-8-13-10-14(17-16(13)28-21(4,5)29-17)26-12-25-15-18(22)23-11-24-19(15)26/h10-12,14,16-17H,8-9H2,1-7H3,(H2,22,23,24)/t14-,16-,17+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC=C(C=C2)OC(F)(F)F)O)O)O
InChI: InChI=1S/C13H16F3NO5/c1-6-9(18)10(19)11(20)12(21-6)17-7-2-4-8(5-3-7)22-13(14,15)16/h2-6,9-12,17-20H,1H3/t6-,9+,10+,11+,12-/m1/s1
SMILES: CCCCC[C@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C)O
InChI: InChI=1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6-,15-14+/t18?,19-,20+,21+,22-/m0/s1
SMILES: CCOC(C)[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CCC4=O)C)C
InChI: InChI=1S/C23H34O3/c1-5-26-14(2)15-8-10-22(3)16(12-15)13-19(24)21-17-6-7-20(25)23(17,4)11-9-18(21)22/h13-15,17-18,21H,5-12H2,1-4H3/t14?,15-,17-,18-,21-,22-,23-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C40H29FINO5/c41-32-19-23(11-18-33(32)44)36-27-16-17-28-35(39(48)43(38(28)47)26-14-12-25(42)13-15-26)30(27)20-31-37(46)29(22-7-3-1-4-8-22)21-34(45)40(31,36)24-9-5-2-6-10-24/h1-16,18-19,21,28,30-31,35-36,44H,17,20H2/t28-,30+,31-,35-,36-,40-/m0/s1
SMILES: C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)/C=C
InChI: InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,8,16-17H,1,3,7,9-13H2,2,4-5H3,(H,21,22)/b14-8-/t16-,17+,19+,20-/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)CCC(=O)O)C)C)C)OC1
InChI: InChI=1S/C31H46O6/c1-18-9-14-31(35-17-18)19(2)28-25(37-31)16-24-22-6-5-20-15-21(36-27(34)8-7-26(32)33)10-12-29(20,3)23(22)11-13-30(24,28)4/h5,18-19,21-25,28H,6-17H2,1-4H3,(H,32,33)/t18-,19-,21-,22+,23-,24-,25-,28-,29-,30-,31+/m0/s1
SMILES: C[C@@H](CCCC(C)C)C1=C2CC[C@H]3[C@@H]4CCCC[C@]4(CC[C@@H]3[C@]2(CC1)C)C
InChI: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)21-14-18-27(5)24(21)13-12-22-23-11-6-7-16-26(23,4)17-15-25(22)27/h19-20,22-23,25H,6-18H2,1-5H3/t20-,22-,23-,25-,26-,27-/m0/s1
SMILES: C[C@@H]1CC(OC2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2OS(=O)(=O)NC)[C@H]([C@H]([C@@H]5[C@@]4(CC[C@H]([C@@H]5O)OS(=O)(=O)O)C)O)OS(=O)(=O)O)C)[C@@H](C)C(C)C
InChI: InChI=1S/C29H51NO14S3/c1-13(2)15(4)18-12-14(3)20-26(41-18)27(43-45(33,34)30-7)21-19-16(8-10-29(20,21)6)28(5)11-9-17(42-46(35,36)37)23(31)22(28)24(32)25(19)44-47(38,39)40/h13-27,30-32H,8-12H2,1-7H3,(H,35,36,37)(H,38,39,40)/t14-,15+,16+,17-,18?,19-,20+,21-,22-,23+,24+,25-,26?,27?,28-,29-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H17Cl3N2O7/c1-7(24)27-6-14-15(28-8(2)25)16(29-9(3)26)17(30-14)23-13-5-11(20)10(19)4-12(13)22-18(23)21/h4-5,14-17H,6H2,1-3H3/t14-,15+,16+,17+/m1/s1
SMILES: C[C@@H](C1=CC=C(C=C1)Br)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)OC(C)C
InChI: InChI=1S/C20H22BrNO4/c1-11(2)25-19(24)16-15-8-9-20(26-15)10-22(18(23)17(16)20)12(3)13-4-6-14(21)7-5-13/h4-9,11-12,15-17H,10H2,1-3H3/t12-,15+,16-,17-,20+/m0/s1
SMILES: C1CN([C@@H]([C@H]1O)C2=NC=C(S2)CCC(=O)O)C(=O)CC3=CC(=C(C=C3F)NC4=CC5=CC=CC=C5S4)Cl
InChI: InChI=1S/C26H23ClFN3O4S2/c27-17-9-15(18(28)12-19(17)30-22-10-14-3-1-2-4-21(14)37-22)11-23(33)31-8-7-20(32)25(31)26-29-13-16(36-26)5-6-24(34)35/h1-4,9-10,12-13,20,25,30,32H,5-8,11H2,(H,34,35)/t20-,25-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C18H20F2N2O7/c1-10-6-15(23)13(14(10)8-22(26)27)7-17(25)28-9-16(24)21-11-2-4-12(5-3-11)29-18(19)20/h2-5,10,13-14,18H,6-9H2,1H3,(H,21,24)/t10-,13+,14-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@]([C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)(CC=C)O)C
InChI: InChI=1S/C24H36O3/c1-5-11-24(27)14-23(4)19(15(2)25)8-9-20(23)18-7-6-16-13-17(26)10-12-22(16,3)21(18)24/h5,16,18-21,27H,1,6-14H2,2-4H3/t16-,18+,19-,20+,21+,22+,23-,24+/m1/s1
SMILES: CCCCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC3=NN=NN23)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C22H24N6O2/c1-3-4-14-30-18-12-10-16(11-13-18)20-19(15(2)23-22-25-26-27-28(20)22)21(29)24-17-8-6-5-7-9-17/h5-13,19-20H,2-4,14H2,1H3,(H,24,29)(H,23,25,27)/t19-,20+/m1/s1
SMILES: C[C@H]1CC[C@]2([C@H](C[C@@H]([C@H](O2)CCO)C)C)O[C@@H]1C3=CC(=CC(=C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H58O5Si2/c1-22-14-16-32(24(3)18-23(2)28(34-32)15-17-33)35-29(22)25-19-26(36-38(10,11)30(4,5)6)21-27(20-25)37-39(12,13)31(7,8)9/h19-24,28-29,33H,14-18H2,1-13H3/t22-,23-,24-,28+,29-,32+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@H]2[C@@H](CCN2C(=O)OCC3=CC=CC=C3)NC(=O)OC
InChI: InChI=1S/C24H30N2O7S/c1-18-10-12-20(13-11-18)34(29,30)33-16-6-9-22-21(25-23(27)31-2)14-15-26(22)24(28)32-17-19-7-4-3-5-8-19/h3-5,7-8,10-13,21-22H,6,9,14-17H2,1-2H3,(H,25,27)/t21-,22+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/C#N)O)O)N
InChI: InChI=1S/C12H12N6O3/c13-3-1-2-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h1-2,4-6,8-9,12,19-20H,(H2,14,15,16)/b2-1+/t6-,8-,9-,12-/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H13FN2O5/c16-10-4-3-9(6-11(10)18(22)23)17-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h1-4,6-8,12-13H,5H2,(H,17,19)(H,20,21)/p-1/t7-,8+,12+,13+/m1/s1
SMILES: CC1(O[C@@H]2CC3=C4C(=CC(=C3[C@@H]2O1)O[Si](C)(C)C(C)(C)C)C(=O)C5=CC=CC=C5C4=O)C
InChI: InChI=1S/C26H30O5Si/c1-25(2,3)32(6,7)31-18-13-17-20(23(28)15-11-9-8-10-14(15)22(17)27)16-12-19-24(21(16)18)30-26(4,5)29-19/h8-11,13,19,24H,12H2,1-7H3/t19-,24-/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)NCCC(C)C)NC(=O)[C@@H]1[C@H](O1)C(=O)O
InChI: InChI=1S/C15H26N2O5/c1-5-9(4)10(13(18)16-7-6-8(2)3)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t9-,10-,11-,12-/m0/s1
SMILES: CC1=C(C(=O)OC2=C3[C@H]([C@H](C(OC3=CC(=C12)OC)(C)C)OC(=O)C45CCC(C4(C)C)(C(=O)O5)C)OC(=O)C67CCC(C6(C)C)(C(=O)O7)C)CC#N
InChI: InChI=1S/C38H43NO12/c1-18-19(11-16-39)27(40)46-24-22(18)20(45-10)17-21-23(24)25(47-30(43)37-14-12-35(8,28(41)50-37)33(37,4)5)26(32(2,3)49-21)48-31(44)38-15-13-36(9,29(42)51-38)34(38,6)7/h17,25-26H,11-15H2,1-10H3/t25-,26-,35?,36?,37?,38?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]([C@@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C27H34O7Si/c1-27(2,3)35(4,5)32-17-20-16-21(24(28)29)23(34-26(31)19-14-10-7-11-15-19)22(20)33-25(30)18-12-8-6-9-13-18/h6-15,20-23H,16-17H2,1-5H3,(H,28,29)/t20-,21-,22-,23+/m1/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C2CC2)C(=O)CC3=CC(=CC=C3)C4=CC(=CC=C4)F)C(=O)C5=CC(=C(C=C5)OC)OCCCOC
InChI: InChI=1S/C38H48FN3O5/c1-26(2)41(38(44)30-12-15-35(46-4)36(21-30)47-17-7-16-45-3)24-31-22-40-23-32(31)25-42(34-13-14-34)37(43)19-27-8-5-9-28(18-27)29-10-6-11-33(39)20-29/h5-6,8-12,15,18,20-21,26,31-32,34,40H,7,13-14,16-17,19,22-25H2,1-4H3/t31-,32-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H](C(=C)O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H30O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,25-28H,1,18-20H2,2H3/t25-,26-,27+,28-/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CCC4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C(=O)C(C)OC(=O)C)C)CN1C
InChI: InChI=1S/C28H44N2O3/c1-17-23-9-10-25-22-8-7-20-15-21(30(6)26(32)18(2)33-19(3)31)11-13-27(20,4)24(22)12-14-28(23,25)16-29(17)5/h7,17-18,21-25H,8-16H2,1-6H3/t17-,18?,21-,22+,23+,24?,25-,27-,28-/m0/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=C(C=C(C=C8)O)OC)C(=O)N(C7=O)C9=CC=C(C=C9)C(=O)C)C
InChI: InChI=1S/C43H37ClN4O7S/c1-20-29-16-23(44)8-15-34(29)56-38(20)32-19-35(46(4)45-32)48-40(52)31-18-30-26(37(43(31,3)42(48)54)27-12-11-25(50)17-33(27)55-5)13-14-28-36(30)41(53)47(39(28)51)24-9-6-22(7-10-24)21(2)49/h6-13,15-17,19,28,30-31,36-37,50H,14,18H2,1-5H3/t28-,30+,31-,36-,37+,43+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C4=NN=C5N4N=C(C=C5)Cl)C
InChI: InChI=1S/C16H19ClN4O5/c1-15(2)23-9-10(24-15)12-14(26-16(3,4)25-12)22-11(9)13-19-18-8-6-5-7(17)20-21(8)13/h5-6,9-12,14H,1-4H3/t9-,10+,11+,12-,14-/m1/s1
SMILES: CC1(N([C@@H](CO1)[C@H]2[C@@H](O2)CO)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-8(7-17-13(14,4)5)10-9(6-15)18-10/h8-10,15H,6-7H2,1-5H3/t8-,9-,10-/m0/s1
SMILES: CC(C)O[C@H]1[C@@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C25H34ClN3O6/c1-14(2)34-24-17(13-19(30)35-24)27-22(32)18-11-8-12-29(18)23(33)20(25(3,4)5)28-21(31)15-9-6-7-10-16(15)26/h6-7,9-10,14,17-18,20,24H,8,11-13H2,1-5H3,(H,27,32)(H,28,31)/t17-,18+,20-,24-/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)NS(=O)(=O)C4=CC=CC=C4)CSC5=NC=CN5C
InChI: InChI=1S/C29H31N3O5S2/c1-20-26(19-38-29-30-16-17-32(29)2)36-28(37-27(20)22-10-8-21(18-33)9-11-22)23-12-14-24(15-13-23)31-39(34,35)25-6-4-3-5-7-25/h3-17,20,26-28,31,33H,18-19H2,1-2H3/t20-,26+,27+,28+/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1C(=O)C)NCC3=C(C=C(C=C3)C#C[C@]4(CC[C@]5(C(C4)C[C@H](C6C5C[C@@H]([C@]7(C6CC[C@@H]7[C@H](C)CCC(=O)O)C)O)O)C)O)F
InChI: InChI=1S/C45H55FN2O6/c1-25(10-15-39(52)53)32-13-14-33-41-34(22-38(51)44(32,33)5)43(4)18-19-45(54,23-30(43)21-37(41)50)17-16-28-11-12-29(35(46)20-28)24-47-42-31-8-6-7-9-36(31)48-26(2)40(42)27(3)49/h6-9,11-12,20,25,30,32-34,37-38,41,50-51,54H,10,13-15,18-19,21-24H2,1-5H3,(H,47,48)(H,52,53)/t25-,30?,32-,33?,34?,37-,38+,41?,43+,44-,45-/m1/s1
SMILES: CCC(=O)N1[C@@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H21N3O4/c1-3-19(25)23-21(14-5-4-6-15(11-14)24(26)27)17-10-8-13-7-9-16(28-2)12-18(13)20(17)22-23/h4-7,9,11-12,17,21H,3,8,10H2,1-2H3/t17-,21+/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)O)O)O)C)O)O)C
InChI: InChI=1S/C34H58O10/c1-17(8-7-12-32(2,3)41)20-9-10-21-25-22(16-24(36)34(20,21)5)33(4)13-11-19(14-18(33)15-23(25)35)43-31-28(39)26(37)27(38)29(44-31)30(40)42-6/h17-29,31,35-39,41H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27+,28-,29+,31-,33+,34-/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)C(=O)O)OCC3=C(C(=CC=C3)Cl)F)OCC4=CC=CC=C4
InChI: InChI=1S/C26H27ClFN3O5/c27-19-10-6-9-18(25(19)28)16-36-24-13-21(26(33)34)30-31(24)14-23(32)29-20-11-4-5-12-22(20)35-15-17-7-2-1-3-8-17/h1-3,6-10,13,20,22H,4-5,11-12,14-16H2,(H,29,32)(H,33,34)/t20-,22-/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)CNC(=O)[C@H](C)OC(=O)C)CSC5=NN=C(S5)C
InChI: InChI=1S/C34H37N3O6S2/c1-20-30(19-44-34-37-36-22(3)45-34)42-33(43-31(20)26-13-11-24(18-38)12-14-26)29-10-6-9-28(16-29)27-8-5-7-25(15-27)17-35-32(40)21(2)41-23(4)39/h5-16,20-21,30-31,33,38H,17-19H2,1-4H3,(H,35,40)/t20-,21-,30+,31+,33+/m0/s1
SMILES: C[C@]1([C@@H](C[C@@H]2[C@H](CO[C@@H]2[C@H]1Br)COC(=O)C3=CC=CC=C3)O)O
InChI: InChI=1S/C17H21BrO5/c1-17(21)13(19)7-12-11(8-22-14(12)15(17)18)9-23-16(20)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11-,12-,13-,14+,15-,17-/m1/s1
SMILES: C[C@@]1([C@@H](C[C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)O/C=C/C(=O)OC)[C@@H](C[C@@H](O[C@H]4CCCO[C@@H]4COCOC)[Se]C5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C49H60O11Se/c1-49(45(56-28-26-47(50)52-3)29-42(57-32-38-19-10-5-11-20-38)44(60-49)35-53-31-37-17-8-4-9-18-37)46(58-33-39-21-12-6-13-22-39)30-48(61-40-23-14-7-15-24-40)59-41-25-16-27-55-43(41)34-54-36-51-2/h4-15,17-24,26,28,41-46,48H,16,25,27,29-36H2,1-3H3/b28-26+/t41-,42-,43+,44+,45+,46+,48-,49+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N5CCC(CC5)C(=O)N
InChI: InChI=1S/C24H32N6O3/c1-33-20-4-2-16(3-5-20)22-15-30(27-26-22)13-19-12-18-8-11-29(19)14-21(18)24(32)28-9-6-17(7-10-28)23(25)31/h2-5,15,17-19,21H,6-14H2,1H3,(H2,25,31)/t18-,19-,21+/m1/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)OCC(=O)NC4=CC(=CC=C4)Cl)C(=O)O3
InChI: InChI=1S/C17H16ClNO5/c18-9-2-1-3-10(6-9)19-13(20)7-23-16(21)14-8-4-11-12(5-8)24-17(22)15(11)14/h1-3,6,8,11-12,14-15H,4-5,7H2,(H,19,20)/t8-,11+,12-,14-,15+/m1/s1
SMILES: CC1=C(SC(=C1C(=O)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3)NC(=O)C4CC4)C
InChI: InChI=1S/C22H30N2O4S/c1-13-14(2)29-21(23-20(26)16-9-10-16)19(13)22(27)28-12-18(25)24-11-5-7-15-6-3-4-8-17(15)24/h15-17H,3-12H2,1-2H3,(H,23,26)/t15-,17+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)O)O
InChI: InChI=1S/C26H26O9/c1-10-7-14-18(16(8-10)32-3)13-9-17(33-4)20-15(27)6-5-12(19(20)24(13)35-26(14)31)25-23(30)22(29)21(28)11(2)34-25/h5-9,11,21-23,25,27-30H,1-4H3/t11-,21+,22+,23-,25-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@H]([C@@H]([C@H](C2)N(CC3=CC=CC=C3)[C@@H](C)C4=CC=CC=C4)C(=O)OC)CC(=O)OC
InChI: InChI=1S/C33H40N2O4/c1-24(27-16-10-6-11-17-27)34-22-29(20-31(36)38-3)32(33(37)39-4)30(23-34)35(21-26-14-8-5-9-15-26)25(2)28-18-12-7-13-19-28/h5-19,24-25,29-30,32H,20-23H2,1-4H3/t24-,25+,29-,30+,32+/m1/s1
SMILES: CC1=NN(C2=C1[C@@H]([C@H]3C(=O)CCC=C3N2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C23H20ClN3O/c1-14-20-21(15-10-12-16(24)13-11-15)22-18(8-5-9-19(22)28)25-23(20)27(26-14)17-6-3-2-4-7-17/h2-4,6-8,10-13,21-22,25H,5,9H2,1H3/t21-,22+/m0/s1
SMILES: C1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)N=N1
InChI: InChI=1S/C12H8F3N3O2/c13-12(14,15)6-2-1-3-7(4-6)18-10(19)8-5-16-17-9(8)11(18)20/h1-4,8-9H,5H2/t8-,9+/m1/s1
SMILES: COC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=CC=C6)OC
InChI: InChI=1S/C28H21NO7/c1-34-19-13-12-16(14-20(19)35-2)29-26(32)21-22(27(29)33)28(36-23(21)15-8-4-3-5-9-15)24(30)17-10-6-7-11-18(17)25(28)31/h3-14,21-23H,1-2H3/t21-,22+,23-/m1/s1
SMILES: C[C@@H]1CC[C@]2([C@@H]([C@H]1OC(=O)C)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C24H38O4/c1-14-10-12-23(4)19-11-13-24(5)18(8-9-21(24)27-15(2)25)17(19)6-7-20(23)22(14)28-16(3)26/h14,17-22H,6-13H2,1-5H3/t14-,17+,18+,19+,20-,21+,22+,23-,24+/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@@H]3[C@H]([C@@H](C(=O)O3)C)[C@H](CC2=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C26H36O10/c1-6-10(2)24(31)33-15-8-14-11(3)7-16(19-13(5)25(32)36-23(19)18(14)12(15)4)34-26-22(30)21(29)20(28)17(9-27)35-26/h6,13-23,26-30H,3-4,7-9H2,1-2,5H3/b10-6-/t13-,14-,15-,16-,17+,18-,19+,20+,21-,22+,23+,26+/m0/s1
SMILES: C[C@H]1[C@H](O1)P(=O)(O)O.CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
InChI: InChI=1S/C16H17N3O4S.C3H7O4P/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;1-2-3(7-2)8(4,5)6/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);2-3H,1H3,(H2,4,5,6)/t10?,11-,15-;2-,3+/m10/s1
SMILES: C[C@@H]1C[C@@H](C(=C[C@]1(C)CC/C(=C/CC/C(=C/I)/C)/C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O
InChI: InChI=1S/C26H34INO5/c1-18(6-5-7-19(2)16-27)12-13-26(4)15-22(24(29)14-20(26)3)17-33-25(30)21-8-10-23(11-9-21)28(31)32/h6,8-11,15-16,20,24,29H,5,7,12-14,17H2,1-4H3/b18-6+,19-16+/t20-,24+,26+/m1/s1
SMILES: C[C@@H]1[C@H]2CC3=C([C@@]1(CCN2C[C@H]4C[C@@]4(C5=CC=CC=C5)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCN)C)C=C(C=C3)O
InChI: InChI=1S/C38H55N5O4/c1-25(2)19-32(35(46)40-17-10-6-9-16-39)42-34(45)23-41-36(47)38(28-11-7-5-8-12-28)22-29(38)24-43-18-15-37(4)26(3)33(43)20-27-13-14-30(44)21-31(27)37/h5,7-8,11-14,21,25-26,29,32-33,44H,6,9-10,15-20,22-24,39H2,1-4H3,(H,40,46)(H,41,47)(H,42,45)/t26-,29-,32+,33-,37-,38+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H](C(=O)O[C@@H]([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)CC[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)OC(=S)SC
InChI: InChI=1S/C50H50N2O9S2/c1-50(2,3)61-48(56)51-38(45(53)59-43(36-26-16-8-17-27-36)40(51)34-22-12-6-13-23-34)30-31-39(58-49(62)63-4)42-46(54)60-44(37-28-18-9-19-29-37)41(35-24-14-7-15-25-35)52(42)47(55)57-32-33-20-10-5-11-21-33/h5-29,38-44H,30-32H2,1-4H3/t38-,39+,40-,41+,42+,43+,44-/m0/s1
SMILES: CC[C@H]\1[C@@H](N[C@@H](C/C1=N\O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H20N4O5/c1-2-16-18(21-24)11-17(12-3-7-14(8-4-12)22(25)26)20-19(16)13-5-9-15(10-6-13)23(27)28/h3-10,16-17,19-20,24H,2,11H2,1H3/b21-18+/t16-,17+,19+/m1/s1
SMILES: CC1([C@H]2CC[C@H](C2)[C@H]1NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C22H26N2O/c1-22(2)17-14-13-16(15-17)20(22)23-21(25)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3,(H,23,25)/t16-,17+,20-/m1/s1
SMILES: CC12[C@@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)NC(=O)C6=CC=CC=C6
InChI: InChI=1S/C26H20N2O3/c1-26-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)26)21-22(26)25(31)28(24(21)30)27-23(29)15-9-3-2-4-10-15/h2-14,20-22H,1H3,(H,27,29)/t20?,21-,22+,26?/m0/s1
SMILES: CC(C)[C@@H]1CCC2([C@H]1C3CC[C@@H]4[C@]5(CC/C(=N\NC6=CC(=CC(=C6)Br)OC)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O
InChI: InChI=1S/C37H55BrN2O3/c1-22(2)26-11-16-37(32(41)42)18-17-35(6)27(31(26)37)9-10-29-34(5)14-13-30(33(3,4)28(34)12-15-36(29,35)7)40-39-24-19-23(38)20-25(21-24)43-8/h19-22,26-29,31,39H,9-18H2,1-8H3,(H,41,42)/b40-30+/t26-,27?,28-,29+,31+,34-,35+,36+,37?/m0/s1
SMILES: CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)C[C@@H](C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI: InChI=1S/C24H44O9/c1-4-5-6-7-8-9-10-11-12-13-18(15-19(25)26)33-20(27)14-16(2)31-24-23(30)22(29)21(28)17(3)32-24/h16-18,21-24,28-30H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18-,21+,22-,23-,24-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)C)C
InChI: InChI=1S/C37H64N6O4/c1-23(2)8-6-9-24(3)28-13-14-29-27-12-11-25-22-26(15-18-36(25,4)30(27)16-19-37(28,29)5)47-35(46)42-21-17-32(44)43-31(33(38)45)10-7-20-41-34(39)40/h11,23-24,26-31H,6-10,12-22H2,1-5H3,(H2,38,45)(H,42,46)(H,43,44)(H4,39,40,41)/t24-,26+,27+,28-,29+,30+,31+,36+,37-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1OCC2=CC=CC=C2)OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6
InChI: InChI=1S/C41H43O8P/c42-39-37(44-27-32-16-6-1-7-17-32)26-38(45-28-33-18-8-2-9-19-33)40(41(39)46-29-34-20-10-3-11-21-34)49-50(43,47-30-35-22-12-4-13-23-35)48-31-36-24-14-5-15-25-36/h1-25,37-42H,26-31H2/t37-,38-,39+,40-,41-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14-,15+,16+,17+/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)N(C)C)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C35H51N3O8/c1-5-7-9-17-35(18-10-8-6-2)45-29-24-27(33(42)37-19-16-30(40)36-20-21-39)23-28(32(29)46-35)44-34(43)26-13-11-12-25(22-26)14-15-31(41)38(3)4/h11-15,22,24,28-29,32,39H,5-10,16-21,23H2,1-4H3,(H,36,40)(H,37,42)/t28-,29-,32+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@H](C(=C(N2C3=CC=CC=C3)N)C(=O)OC)C4=CN=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H27N3O5/c1-37-29(35)24-21(18-10-5-3-6-11-18)16-22-25(27(24)34)23(19-12-9-15-32-17-19)26(30(36)38-2)28(31)33(22)20-13-7-4-8-14-20/h3-15,17,21,23-24H,16,31H2,1-2H3/t21-,23-,24-/m1/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@H]2C1)CC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F
InChI: InChI=1S/C23H33FN4O2/c24-20-6-3-7-21(14-20)25-22(29)16-26-10-12-28(13-11-26)23(30)17-27-9-8-18-4-1-2-5-19(18)15-27/h3,6-7,14,18-19H,1-2,4-5,8-13,15-17H2,(H,25,29)/p+2/t18-,19-/m1/s1
SMILES: CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C)OC
InChI: InChI=1S/C20H28N2O7/c1-5-28-18-10-16(22(25)26)14(9-17(18)27-4)20(24)29-11-19(23)21-15-8-6-7-12(2)13(15)3/h9-10,12-13,15H,5-8,11H2,1-4H3,(H,21,23)/t12-,13-,15-/m0/s1