EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C2[C@](CCC(=O)N2C)(C3CC[C@]4([C@H](C3C1)CC[C@@H]4C(=O)NC5=CC=C(C=C5)C)C)C
InChI: InChI=1S/C28H38N2O2/c1-17-6-8-19(9-7-17)29-26(32)23-11-10-21-20-16-18(2)25-28(4,15-13-24(31)30(25)5)22(20)12-14-27(21,23)3/h6-9,20-23H,10-16H2,1-5H3,(H,29,32)/t20?,21-,22?,23+,27-,28+/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=NC=CN=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC(=CC=C5)C(F)(F)F
InChI: InChI=1S/C24H18F3N5O3/c25-24(26,27)15-3-1-2-13(10-15)14-4-5-17-16(11-14)23(35)32-9-6-18(20(32)22(34)30-17)31-21(33)19-12-28-7-8-29-19/h1-5,7-8,10-12,18,20H,6,9H2,(H,30,34)(H,31,33)/t18-,20-/m0/s1
SMILES: C1[C@H]([C@@H](CO[C@H]1OCC2=CC=CC=C2)N=[N+]=[N-])O
InChI: InChI=1S/C12H15N3O3/c13-15-14-10-8-18-12(6-11(10)16)17-7-9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2/t10-,11-,12-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3CCN(CC3)CC4=CC=C(S4)Cl
InChI: InChI=1S/C19H27ClN4O2S/c1-14-4-2-3-7-19(14)17(25)24(18(26)21-19)13-23-10-8-22(9-11-23)12-15-5-6-16(20)27-15/h5-6,14H,2-4,7-13H2,1H3,(H,21,26)/t14-,19+/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@@H](COCC2=CC=CC=C2)OS(=O)(=O)C)C#N)C
InChI: InChI=1S/C16H21NO6S/c1-16(2)21-13(9-17)15(22-16)14(23-24(3,18)19)11-20-10-12-7-5-4-6-8-12/h4-8,13-15H,10-11H2,1-3H3/t13-,14-,15-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)COP(=O)(CC(=O)C5=CC=CC=C5O)O)C
InChI: InChI=1S/C21H24N5O8P/c1-21(2)33-16-14(7-31-35(29,30)8-13(28)11-5-3-4-6-12(11)27)32-20(17(16)34-21)26-10-25-15-18(22)23-9-24-19(15)26/h3-6,9-10,14,16-17,20,27H,7-8H2,1-2H3,(H,29,30)(H2,22,23,24)/t14-,16-,17-,20-/m1/s1
SMILES: [2H][C@@]1(CO1)[C@@H]2[C@@H](C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC)CC(=O)O
InChI: InChI=1S/C17H24O12/c1-25-15(24)7-4-27-16(11(9-5-26-9)6(7)2-10(19)20)29-17-14(23)13(22)12(21)8(3-18)28-17/h4,6,8-9,11-14,16-18,21-23H,2-3,5H2,1H3,(H,19,20)/t6-,8-,9-,11+,12-,13+,14-,16+,17+/m1/s1/i9D
SMILES: CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C30H41N3O4S2/c1-19-22(11-8-12-25(19)34)28(36)31-23(18-39-21-9-6-5-7-10-21)26(35)17-33-16-20-13-14-38-27(20)15-24(33)29(37)32-30(2,3)4/h5-12,20,23-24,26-27,34-35H,13-18H2,1-4H3,(H,31,36)(H,32,37)/t20-,23+,24+,26-,27+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br
InChI: InChI=1S/C16H16BrNO3/c1-7-2-4-8(5-3-7)18-15(19)11-9-6-10-12(11)16(20)21-14(10)13(9)17/h2-5,9-14H,6H2,1H3,(H,18,19)/t9-,10+,11-,12-,13+,14-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)Cl
InChI: InChI=1S/C26H14Cl3NO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)18-11-14(28)9-10-17(18)29)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC(=O)NCC6=CC=CC=C6)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)C9CC9
InChI: InChI=1S/C57H63N3O8/c1-2-32-65-57-52(60(55(63)42-26-27-42)37-44-23-15-22-41-20-9-10-24-46(41)44)35-50(59-66-38-40-18-7-4-8-19-40)48-33-43(21-11-13-30-61)47(25-12-14-31-62)53(54(48)57)49-34-45(28-29-51(49)68-57)67-56(64)58-36-39-16-5-3-6-17-39/h2-10,15-20,22-24,28-29,33-34,42-43,47,52-54,61-62H,1,11-14,21,25-27,30-32,35-38H2,(H,58,64)/t43-,47+,52-,53+,54+,57+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@H](O1)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OCC2=CC=CC=C2
InChI: InChI=1S/C19H31N3O3Si/c1-14-18(23-13-15-10-8-7-9-11-15)16(21-22-20)12-17(24-14)25-26(5,6)19(2,3)4/h7-11,14,16-18H,12-13H2,1-6H3/t14-,16-,17+,18+/m0/s1
SMILES: CC1=CC=CC=C1O[C@@H]2[C@H](N(C2=O)CCC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C26H24FNO4/c1-17-5-3-4-6-22(17)32-24-23(19-9-11-20(12-10-19)26(30)31-2)28(25(24)29)16-15-18-7-13-21(27)14-8-18/h3-14,23-24H,15-16H2,1-2H3/t23-,24-/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC(=C(C(=C5)Cl)O)OC)C(=O)C=C(C4=O)C
InChI: InChI=1S/C26H24ClNO6/c1-4-28-25(32)14-6-5-13-15(21(14)26(28)33)10-16-22(18(29)7-11(2)23(16)30)20(13)12-8-17(27)24(31)19(9-12)34-3/h5,7-9,14-15,20-21,31H,4,6,10H2,1-3H3/t14-,15+,20-,21-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=C[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI: InChI=1S/C30H41N3O11/c1-13(36)32-23-25(38)28(44-30-27(40)26(39)24(37)20(10-34)42-30)21(11-35)43-29(23)41-12-14-6-17-16-4-3-5-18-22(16)15(8-31-18)7-19(17)33(2)9-14/h3-6,8,17,19-21,23-31,34-35,37-40H,7,9-12H2,1-2H3,(H,32,36)/t17-,19-,20-,21-,23-,24-,25-,26+,27-,28-,29-,30+/m1/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(=O)[C@@H]6[C@@]5(C[C@@H]([C@@H](C6)OC(=O)C)O)C)C)C)OC1
InChI: InChI=1S/C29H44O6/c1-15-6-9-29(33-14-15)16(2)26-25(35-29)11-20-18-10-22(31)21-12-24(34-17(3)30)23(32)13-28(21,5)19(18)7-8-27(20,26)4/h15-16,18-21,23-26,32H,6-14H2,1-5H3/t15-,16+,18-,19+,20+,21-,23+,24-,25+,26+,27+,28-,29-/m1/s1
SMILES: C/C/1=C/C[C@H]2CC(=O)C=C2C[C@H]3[C@@H]1CC[C@@H]3O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H34O2Si/c1-14-7-8-15-11-17(22)12-16(15)13-19-18(14)9-10-20(19)23-24(5,6)21(2,3)4/h7,12,15,18-20H,8-11,13H2,1-6H3/b14-7-/t15-,18+,19-,20-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES: CCC(=O)N1[C@@H]([C@H]2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=C(C=C4)N(C)C
InChI: InChI=1S/C26H31N3O2/c1-6-23(31)29-21-10-8-7-9-19(21)27-20-15-26(2,3)16-22(30)24(20)25(29)17-11-13-18(14-12-17)28(4)5/h7-15,24-25,27H,6,16H2,1-5H3/t24-,25-/m1/s1
SMILES: CC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C)C
InChI: InChI=1S/C16H24O6/c1-8(2)11-5-4-10(6-9(11)3)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(O3)C(=O)OC
InChI: InChI=1S/C18H22N2O7/c1-11-5-3-4-8-18(11)16(23)20(17(24)19-18)9-14(21)26-10-12-6-7-13(27-12)15(22)25-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,24)/t11-,18-/m1/s1
SMILES: C[C@H](C(=O)OCC1=CC=CC=C1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC)CI)OC(=O)C
InChI: InChI=1S/C21H28INO8/c1-12(20(26)28-11-15-8-6-5-7-9-15)29-19-17(23-13(2)24)21(27-4)31-16(10-22)18(19)30-14(3)25/h5-9,12,16-19,21H,10-11H2,1-4H3,(H,23,24)/t12-,16-,17-,18-,19-,21?/m1/s1
SMILES: C1[C@H]([C@@H]1C2=NNC(=S)N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H13ClFN3S/c18-11-3-1-10(2-4-11)14-9-15(14)16-20-21-17(23)22(16)13-7-5-12(19)6-8-13/h1-8,14-15H,9H2,(H,21,23)/t14-,15+/m0/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=C[N+](=CC=C3)C)CCCC
InChI: InChI=1S/C26H39N2O3S/c1-6-8-14-26(15-9-7-2)19-32(30,31)23-13-12-21(27(3)4)17-22(23)24(25(26)29)20-11-10-16-28(5)18-20/h10-13,16-18,24-25,29H,6-9,14-15,19H2,1-5H3/q+1/t24-,25-/m1/s1
SMILES: COC1=CC2=C(C=C[C@H]([C@@H]2O)OC3=CC=CC=C3)C(=C1)OC
InChI: InChI=1S/C18H18O4/c1-20-13-10-15-14(17(11-13)21-2)8-9-16(18(15)19)22-12-6-4-3-5-7-12/h3-11,16,18-19H,1-2H3/t16-,18-/m1/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)/C=C/C2=CC=CC=C2)NC(=O)OC(C)(C)C)C
InChI: InChI=1S/C19H27NO4/c1-18(2,3)24-17(21)20-15-13-22-19(4,5)23-16(15)12-11-14-9-7-6-8-10-14/h6-12,15-16H,13H2,1-5H3,(H,20,21)/b12-11+/t15-,16-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H](CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)N=[N+]=[N-]
InChI: InChI=1S/C50H58N4O8SSi/c1-50(2,3)64(4,5)61-34-39(52-53-51)30-42-41-28-18-19-29-43(41)54(63(56,57)40-26-16-9-17-27-40)45(42)48-46(55)49(60-33-38-24-14-8-15-25-38)47(59-32-37-22-12-7-13-23-37)44(62-48)35-58-31-36-20-10-6-11-21-36/h6-29,39,44,46-49,55H,30-35H2,1-5H3/t39-,44+,46+,47+,48+,49+/m0/s1
SMILES: C=CCN1C[C@@H]2C[C@H]3C=C[C@]2([C@@H]1C[N+](=O)[O-])O3
InChI: InChI=1S/C12H16N2O3/c1-2-5-13-7-9-6-10-3-4-12(9,17-10)11(13)8-14(15)16/h2-4,9-11H,1,5-8H2/t9-,10+,11-,12-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C=CC6=CC(=C(C=C6)O)OC)C(=O)C=C(C5=O)Br
InChI: InChI=1S/C33H26BrNO7/c1-16(36)18-5-7-19(8-6-18)35-32(40)22-11-10-20-21(9-3-17-4-12-26(37)28(13-17)42-2)29-24(14-23(20)30(22)33(35)41)31(39)25(34)15-27(29)38/h3-10,12-13,15,21-23,30,37H,11,14H2,1-2H3/t21-,22-,23+,30-/m0/s1
SMILES: CCO[C@H]1[C@](C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])(C)Cl
InChI: InChI=1S/C12H18ClN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)/t6-,7+,8+,10-,12+/m0/s1
SMILES: CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3)C(=O)O)C(=O)O
InChI: InChI=1S/C21H21Cl2NO5S/c1-11(2)9-21(20(28)29)10-13(19(26)27)17(16-4-3-7-30-16)24(21)18(25)12-5-6-14(22)15(23)8-12/h3-8,11,13,17H,9-10H2,1-2H3,(H,26,27)(H,28,29)/t13-,17+,21-/m0/s1
SMILES: C[C@H]1CN(C[C@@H]1CNC2CC2)C3=C(C=C4C5=C3OCC(N5C=C(C4=O)C(=O)O)C)F
InChI: InChI=1S/C22H26FN3O4/c1-11-7-25(8-13(11)6-24-14-3-4-14)19-17(23)5-15-18-21(19)30-10-12(2)26(18)9-16(20(15)27)22(28)29/h5,9,11-14,24H,3-4,6-8,10H2,1-2H3,(H,28,29)/t11-,12?,13-/m0/s1
SMILES: C1=CC=C(C=C1)CC[C@H]2[C@@H](C(=O)O2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16O3/c19-17(14-9-5-2-6-10-14)16-15(21-18(16)20)12-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]([C@H](OC1OC(=N)C(Cl)(Cl)Cl)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C31H32Cl3NO7/c1-21(36)40-28-27(39-19-24-15-9-4-10-16-24)26(38-18-23-13-7-3-8-14-23)25(20-37-17-22-11-5-2-6-12-22)41-29(28)42-30(35)31(32,33)34/h2-16,25-29,35H,17-20H2,1H3/t25-,26-,27+,28+,29?/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
InChI: InChI=1S/C39H50O18/c1-15(2)6-11-20-22(53-38-32(49)29(46)27(44)23(14-40)54-38)13-12-21-26(43)35(33(55-34(20)21)18-7-9-19(50-5)10-8-18)56-39-36(30(47)25(42)17(4)52-39)57-37-31(48)28(45)24(41)16(3)51-37/h6-10,12-13,16-17,23-25,27-32,36-42,44-49H,11,14H2,1-5H3/t16-,17-,23+,24+,25-,27+,28+,29-,30+,31+,32+,36+,37-,38+,39-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N(C)C2CCCCC2)C3=COC4=CC=CC=C43)CCCO
InChI: InChI=1S/C26H35NO5/c1-3-30-26-20(13-9-15-28)21(22-17-31-23-14-8-7-12-19(22)23)16-24(32-26)25(29)27(2)18-10-5-4-6-11-18/h7-8,12,14,16-18,20-21,26,28H,3-6,9-11,13,15H2,1-2H3/t20-,21+,26-/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CSCCN=C(N)N)SC4=C(C=C(C=C4)CCl)CCl
InChI: InChI=1S/C28H31Cl2N5O5S3/c1-39-19-5-2-16(3-6-19)13-40-27(38)24-21(43-20-7-4-17(11-29)10-18(20)12-30)14-42-26-23(25(37)35(24)26)34-22(36)15-41-9-8-33-28(31)32/h2-7,10,23,26H,8-9,11-15H2,1H3,(H,34,36)(H4,31,32,33)/t23-,26-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NCC6=CC=CC=N6)NCC7=CC=CC=N7
InChI: InChI=1S/C46H48N4O4/c1-5-17-35(18-6-1)31-51-43-41(49-29-39-25-13-15-27-47-39)42(50-30-40-26-14-16-28-48-40)44(52-32-36-19-7-2-8-20-36)46(54-34-38-23-11-4-12-24-38)45(43)53-33-37-21-9-3-10-22-37/h1-28,41-46,49-50H,29-34H2/t41-,42+,43-,44-,45+,46+/m0/s1
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4CC4)C)C=C(C=C3)N(C)C
InChI: InChI=1S/C20H30N2/c1-14-19-11-16-7-8-17(21(3)4)12-18(16)20(14,2)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19H,5-6,9-11,13H2,1-4H3/t14-,19+,20+/m0/s1
SMILES: C[C@H]1CC2=C([C@@H](NC3=CC=CC=C3N2)C4=CC(=CC=C4)Cl)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C22H21ClN2O3/c1-12-10-17-19(21(26)18(12)22(27)28-2)20(13-6-5-7-14(23)11-13)25-16-9-4-3-8-15(16)24-17/h3-9,11-12,18,20,24-25H,10H2,1-2H3/t12-,18+,20-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI: InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(50-23-11-22-41)52-35-24-37(43-25-29(5)38(45)42-39(43)46)51-36(35)26-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36-,37-,53?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)Br)CCC4=CC(=O)CC[C@]34CO
InChI: InChI=1S/C19H25BrO3/c1-18-6-5-14-13(15(18)9-16(20)17(18)23)3-2-11-8-12(22)4-7-19(11,14)10-21/h8,13-16,21H,2-7,9-10H2,1H3/t13-,14+,15+,16-,18+,19-/m1/s1
SMILES: C1=CC=C(C=C1)C2=C3[C@@H]4[C@H]5[C@@H]([C@H](C3=C(S2)C6=CC=CC=C6)N4)C(=O)N(C5=O)C7=CC=CC=C7
InChI: InChI=1S/C28H20N2O2S/c31-27-21-22(28(32)30(27)18-14-8-3-9-15-18)24-20-19(23(21)29-24)25(16-10-4-1-5-11-16)33-26(20)17-12-6-2-7-13-17/h1-15,21-24,29H/t21-,22+,23-,24+
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3)C
InChI: InChI=1S/C19H25N3O2S/c1-12-13(2)25-18-17(12)19(24)22(11-20-18)10-16(23)21-8-7-14-5-3-4-6-15(14)9-21/h11,14-15H,3-10H2,1-2H3/t14-,15-/m1/s1
SMILES: CC1=C2CC(=O)C3=CC=CC=C3[C@H]([C@@H](C2(C)C)CC1)OCOC
InChI: InChI=1S/C20H26O3/c1-13-9-10-16-19(23-12-22-4)15-8-6-5-7-14(15)18(21)11-17(13)20(16,2)3/h5-8,16,19H,9-12H2,1-4H3/t16-,19+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[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)CC8=CC=CC=C8
InChI: InChI=1S/C43H37ClFN3O7/c1-54-35-20-25(21-36(55-2)38(35)49)8-19-33-30-17-18-31-37(41(52)47(39(31)50)23-24-6-4-3-5-7-24)32(30)22-34-40(51)48(46-29-15-13-28(45)14-16-29)42(53)43(33,34)26-9-11-27(44)12-10-26/h3-17,19-21,31-34,37,46,49H,18,22-23H2,1-2H3/t31-,32+,33-,34-,37-,43-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@H]3[C@@]1(O[C@@](C[C@@H]3O)(C)C=C)C)C)O
InChI: InChI=1S/C22H36O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,13-18,24-26H,1,9-11H2,2-7H3/t13-,14-,15-,16+,17-,18-,20-,21+,22-/m0/s1
SMILES: CC1(COC(=N1)[C@H]2[C@H](N2C3=CC=CC=C3)C4=CC=NC=C4)C
InChI: InChI=1S/C18H19N3O/c1-18(2)12-22-17(20-18)16-15(13-8-10-19-11-9-13)21(16)14-6-4-3-5-7-14/h3-11,15-16H,12H2,1-2H3/t15-,16-,21?/m1/s1
SMILES: C1[C@@H]2[C@@H]3C=CC=C[C@@H]3[C@H]1C4=CC5=CC6=CC=CC=C6C=C5C=C24
InChI: InChI=1S/C23H18/c1-2-6-15-10-17-12-21-20(11-16(17)9-14(15)5-1)22-13-23(21)19-8-4-3-7-18(19)22/h1-12,18-19,22-23H,13H2/t18-,19+,22-,23+
SMILES: CO[C@H]1COC2[C@H]([C@@H](OC2[C@@H]1NC(=O)N)C3=CNC(=O)NC3=O)O
InChI: InChI=1S/C13H18N4O7/c1-22-5-3-23-10-7(18)8(4-2-15-13(21)17-11(4)19)24-9(10)6(5)16-12(14)20/h2,5-10,18H,3H2,1H3,(H3,14,16,20)(H2,15,17,19,21)/t5-,6+,7-,8-,9?,10?/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CN=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C22H24F3N3O7S/c1-31-21-20(35-36(29,30)22(23,24)25)19(33-14-16-10-6-3-7-11-16)18(34-21)17(12-27-28-26)32-13-15-8-4-2-5-9-15/h2-11,17-21H,12-14H2,1H3/t17-,18-,19+,20-,21+/m1/s1
SMILES: CC(=O)/C=C/[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C
InChI: InChI=1S/C18H26O3/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h7-8,14-15H,1,5-6,9-11H2,2-4H3,(H,20,21)/b8-7+/t14-,15+,17+,18-/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=C4CN)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C40H53N3O4/c1-26-36(24-43-34-12-8-6-9-29(34)21-22-35(43)38(45)42-40(2,3)4)46-39(47-37(26)30-15-13-27(25-44)14-16-30)31-19-17-28(18-20-31)33-11-7-5-10-32(33)23-41/h5,7,10-11,13-20,26,29,34-37,39,44H,6,8-9,12,21-25,41H2,1-4H3,(H,42,45)/t26-,29-,34-,35-,36+,37+,39+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)N6N1C(=O)N(C6=O)C7=CC=CC=C7
InChI: InChI=1S/C30H17Cl2F5N4O5/c31-29-12-16-14(10-11-38-27(45)39(28(46)41(16)38)13-6-2-1-3-7-13)18(15-8-4-5-9-17(15)42)30(29,32)26(44)40(25(29)43)24-22(36)20(34)19(33)21(35)23(24)37/h1-10,16,18,42H,11-12H2/t16-,18-,29-,30+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)NC(=O)CCCC(=O)O)N=[N+]=[N-]
InChI: InChI=1S/C16H20N6O8/c1-8-6-22(15(27)19-14(8)26)12-5-9(20-21-17)10(30-12)7-29-16(28)18-11(23)3-2-4-13(24)25/h6,9-10,12H,2-5,7H2,1H3,(H,24,25)(H,18,23,28)(H,19,26,27)/t9-,10+,12+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=CC=C3F
InChI: InChI=1S/C19H24FN3O2S/c1-11-7-6-10-16(12(11)2)21-17(24)13(3)26-19-23-22-18(25-19)14-8-4-5-9-15(14)20/h4-5,8-9,11-13,16H,6-7,10H2,1-3H3,(H,21,24)/t11-,12+,13+,16+/m0/s1
SMILES: COC(=O)[C@H]1C[C@]2(C3=C([C@@]1(C2=O)C4=CC=CC=C4)C5=CC=CC=C5C6=CC=CC=C63)C7=CC=CC=C7
InChI: InChI=1S/C33H24O3/c1-36-30(34)27-20-32(21-12-4-2-5-13-21)28-25-18-10-8-16-23(25)24-17-9-11-19-26(24)29(28)33(27,31(32)35)22-14-6-3-7-15-22/h2-19,27H,20H2,1H3/t27-,32-,33-/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)C4=CC=CC=C4CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CSC6=CC=CC=C6C(=O)O
InChI: InChI=1S/C44H44N2O8S/c1-28-38(27-55-39-15-9-8-14-36(39)41(48)49)53-43(54-40(28)32-18-16-30(26-47)17-19-32)33-22-20-31(21-23-33)35-13-7-6-12-34(35)25-45-44(51)46-37(42(50)52-2)24-29-10-4-3-5-11-29/h3-23,28,37-38,40,43,47H,24-27H2,1-2H3,(H,48,49)(H2,45,46,51)/t28-,37+,38+,40+,43+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4OC)O)O
InChI: InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-6-4-5-7-12(11)30-2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H](C7C(O6)CO[C@H](O7)C)O)O)OC
InChI: InChI=1S/C47H64O14/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(48)60-44-35(52-3)21-29(22-36(44)53-4)39-30-23-33-34(57-27-56-33)24-31(30)43(32-25-55-46(51)40(32)39)61-47-42(50)41(49)45-37(59-47)26-54-28(2)58-45/h12-13,21-24,28,32,37,39-43,45,47,49-50H,5-11,14-20,25-27H2,1-4H3/b13-12-/t28-,32+,37?,39-,40+,41-,42-,43-,45?,47+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@@H]([C@@H](N1C)C2=CC=CC=C2)C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H23NO6/c1-5-25-18(22)15-13(17(21)24-4)12(16(20)23-3)14(19(15)2)11-9-7-6-8-10-11/h6-10,12-15H,5H2,1-4H3/t12-,13+,14-,15+/m0/s1
SMILES: CN1C(=NN=C1SCCCN2C[C@@H]3C[C@@]3(C2)C4=CC=C(C=C4)Br)C5=CC(=C(C=C5)F)F
InChI: InChI=1S/C23H23BrF2N4S/c1-29-21(15-3-8-19(25)20(26)11-15)27-28-22(29)31-10-2-9-30-13-17-12-23(17,14-30)16-4-6-18(24)7-5-16/h3-8,11,17H,2,9-10,12-14H2,1H3/t17-,23+/m0/s1
SMILES: C[C@]1(C(=O)N2[C@@]1(SCC(=C2C(=O)[O-])CSC3=NC(=O)C(=O)N([N-]3)C)C)NC(=O)/C(=N/OC)/C4=CSC(=N4)N.CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C.[Na+].[Na+]
InChI: InChI=1S/C20H22N8O7S3.C8H11NO5S.2Na/c1-19(24-12(29)10(26-35-4)9-7-36-17(21)22-9)16(34)28-11(15(32)33)8(6-38-20(19,28)2)5-37-18-23-13(30)14(31)27(3)25-18;1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;;/h7H,5-6H2,1-4H3,(H5,21,22,23,24,25,29,30,32,33);5-6H,3H2,1-2H3,(H,11,12);;/q;;2*+1/p-2/b26-10+;;;/t19-,20-;5-,6+;;/m11../s1
SMILES: C=CCO[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)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C57H62O11/c1-2-33-60-57-55(65-39-47-31-19-8-20-32-47)54(64-38-46-29-17-7-18-30-46)52(62-36-44-25-13-5-14-26-44)49(68-57)41-66-56-50(58)53(63-37-45-27-15-6-16-28-45)51(61-35-43-23-11-4-12-24-43)48(67-56)40-59-34-42-21-9-3-10-22-42/h2-32,48-58H,1,33-41H2/t48-,49-,50+,51-,52-,53-,54+,55+,56+,57+/m1/s1
SMILES: CCCCCC[C@H]1C[C@@]2([C@H](CCC2[C@]3(C1C4=C(CC3)C=C(C=C4)S(=O)(=O)N)CC)O)C
InChI: InChI=1S/C26H41NO3S/c1-4-6-7-8-9-19-17-25(3)22(12-13-23(25)28)26(5-2)15-14-18-16-20(31(27,29)30)10-11-21(18)24(19)26/h10-11,16,19,22-24,28H,4-9,12-15,17H2,1-3H3,(H2,27,29,30)/t19-,22?,23-,24?,25-,26-/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@@H](C(C(=N)[C@H]2C(=O)O)(C#N)C#N)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-3-4-11(8-12)16-14-7-2-1-6-13(14)15(18(27)28)17(26)19(16,9-24)10-25/h3-6,8,14-16,26H,1-2,7H2,(H,27,28)/t14-,15+,16+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]45[C@@]3(CC[C@@H]([C@@H]4O5)OC(=O)C6=CC=CC=C6)C)C
InChI: InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)26-14-15-27-25-16-21-34-30(37-34)29(36-31(35)24-12-7-6-8-13-24)18-20-33(34,5)28(25)17-19-32(26,27)4/h6-8,12-13,22-23,25-30H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,29+,30+,32-,33-,34+/m1/s1
SMILES: CN1[C@H]2C[C@H]([C@@H]1[C@@H]3CC4=C([C@@H](N3[C@H]2C#N)COCC5=CC=CC=C5)C(=CC=C4)OC)C(=O)O
InChI: InChI=1S/C26H29N3O4/c1-28-19-12-18(26(30)31)25(28)20-11-17-9-6-10-23(32-2)24(17)22(29(20)21(19)13-27)15-33-14-16-7-4-3-5-8-16/h3-10,18-22,25H,11-12,14-15H2,1-2H3,(H,30,31)/t18-,19+,20+,21+,22+,25-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
InChI: InChI=1S/C18H24N2O5/c1-11-6-4-5-7-15(11)19-17(21)13(3)25-18(22)14-9-8-12(2)16(10-14)20(23)24/h8-11,13,15H,4-7H2,1-3H3,(H,19,21)/t11-,13+,15+/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC47C3(C7)C)C)C)N(C1)CCOCCOCCOC
InChI: InChI=1S/C35H55NO5/c1-23-18-30-31(36(21-23)12-13-39-16-17-40-15-14-38-5)24(2)35(41-30)11-9-28-27-7-6-25-19-26(37)8-10-32(25,3)29(27)20-34(28)22-33(34,35)4/h19,23-24,27-31H,6-18,20-22H2,1-5H3/t23-,24+,27-,28-,29-,30+,31-,32-,33?,34?,35?/m0/s1
SMILES: CCCCCCCCCCCCCCCCC1=C[C@H]([C@@H]2[C@H]([C@H]1C(=O)OC)C(=C(C2=O)C(=O)OC)CCCCCCCCCCCCCCCC)C(=O)OC
InChI: InChI=1S/C47H80O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-36-39(45(49)52-3)42-41(40(37)46(50)53-4)38(43(44(42)48)47(51)54-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35H2,1-5H3/t39-,40+,41+,42-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OC5=CC6=C(C=C5)C(=O)N(C6=O)C7=CC=CC=C7
InChI: InChI=1S/C29H20N2O5/c32-26-22-12-11-21(15-23(22)27(33)30(26)18-5-2-1-3-6-18)36-20-8-4-7-19(14-20)31-28(34)24-16-9-10-17(13-16)25(24)29(31)35/h1-12,14-17,24-25H,13H2/t16-,17+,24+,25-
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C23H29NO6/c1-14-4-3-5-18(15(14)2)24-12-17(11-22(24)26)23(27)30-13-19(25)16-6-7-20-21(10-16)29-9-8-28-20/h6-7,10,14-15,17-18H,3-5,8-9,11-13H2,1-2H3/t14-,15+,17+,18+/m0/s1
SMILES: CC(=O)O[C@@]12C[C@@H](C=C(C1(C)C)[C@H](C(=O)[C@@]3([C@H](CC4[C@]([C@H]3[C@@H]2OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)O
InChI: InChI=1S/C30H36O11/c1-15(31)40-29-14-38-21(29)12-20(34)28(5)23(29)25(39-26(37)17-9-7-6-8-10-17)30(41-16(2)32)13-18(33)11-19(27(30,3)4)22(35)24(28)36/h6-11,18,20-23,25,33-35H,12-14H2,1-5H3/t18-,20+,21?,22-,23+,25+,28-,29+,30-/m1/s1
SMILES: CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O
InChI: InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16?,17+/m0/s1
SMILES: CC1=NOC(=C1)CCC(=O)N2[C@@H]3CCCC[C@H]3NC4=C([C@H]2C5=CC=CC=C5OC)C(=O)NC4
InChI: InChI=1S/C25H30N4O4/c1-15-13-16(33-28-15)11-12-22(30)29-20-9-5-4-8-18(20)27-19-14-26-25(31)23(19)24(29)17-7-3-6-10-21(17)32-2/h3,6-7,10,13,18,20,24,27H,4-5,8-9,11-12,14H2,1-2H3,(H,26,31)/t18-,20-,24-/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)OC6=CC=C(C=C6)Br
InChI: InChI=1S/C26H18BrNO4/c27-14-9-11-15(12-10-14)32-20(29)13-28-25(30)23-21-16-5-1-2-6-17(16)22(24(23)26(28)31)19-8-4-3-7-18(19)21/h1-12,21-24H,13H2/t21?,22?,23-,24-/m0/s1
SMILES: COC1=CC=CC=C1/C=N\N2C=NN=C2S[C@@H]3[C@H](C4=CC=CC5=C4C3=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C28H22ClN5O3S2/c1-37-24-11-3-2-6-19(24)16-31-34-17-30-32-28(34)38-27-23-10-5-8-18-7-4-9-22(25(18)23)26(27)33-39(35,36)21-14-12-20(29)13-15-21/h2-17,26-27,33H,1H3/b31-16-/t26-,27-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCN)O)F)O)O
InChI: InChI=1S/C30H32FNO13/c1-11-23(35)28(40)22(31)29(44-11)45-15-9-30(41,16(33)10-43-17(34)6-7-32)8-13-19(15)27(39)21-20(25(13)37)24(36)12-4-3-5-14(42-2)18(12)26(21)38/h3-5,11,15,22-23,28-29,35,37,39-41H,6-10,32H2,1-2H3/t11-,15?,22+,23+,28-,29-,30-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)C(CCCCCCCCCCCCCCC)O
InChI: InChI=1S/C42H84NO11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(45)43-34(35(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)33-53-55(51,52)54-42-40(49)38(47)37(46)39(48)41(42)50/h34-35,37-42,44,46-50H,3-33H2,1-2H3,(H,43,45)(H,51,52)/t34?,35?,37?,38-,39+,40-,41-,42?/m1/s1
SMILES: CC(=O)O[C@@H]([C@@H]1[C@@H](OC(O1)(C)C)CCC2=CC=CC=C2)C(F)(F)F
InChI: InChI=1S/C17H21F3O4/c1-11(21)22-15(17(18,19)20)14-13(23-16(2,3)24-14)10-9-12-7-5-4-6-8-12/h4-8,13-15H,9-10H2,1-3H3/t13-,14-,15-/m0/s1
SMILES: C[C@H]1[C@H](N[C@@H](C[C@@]1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H27NO/c1-19-24(22-15-9-4-10-16-22)26-23(21-13-7-3-8-14-21)18-25(19,27)17-20-11-5-2-6-12-20/h2-16,19,23-24,26-27H,17-18H2,1H3/t19-,23-,24-,25+/m0/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)O)OC)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C25H22N2O7/c1-10-7-17(29)21-16(22(10)30)9-15-12(19(21)13-4-3-11(28)8-18(13)34-2)5-6-14-20(15)24(32)27(23(14)31)25(26)33/h3-5,7-8,14-15,19-20,28H,6,9H2,1-2H3,(H2,26,33)/t14-,15+,19+,20-/m0/s1