EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](C(=O)OC[C@H]1[C@H]2[C@@](C=CC1=O)([C@H]([C@@H]3[C@]2(/C(=C\CC4(OCCO4)C)/C(C3)(C)C)O)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C29H40O10/c1-16(38-17(2)30)25(33)35-15-19-21(32)8-10-27(6)23(19)29(34)20(24(27)39-18(3)31)14-26(4,5)22(29)9-11-28(7)36-12-13-37-28/h8-10,16,19-20,23-24,34H,11-15H2,1-7H3/b22-9-/t16-,19+,20+,23-,24-,27+,29+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C27H24ClNO6/c1-4-34-27(32)19-9-12-21(13-10-19)29-23(17-5-7-18(8-6-17)26(31)33-3)24(25(29)30)35-22-14-11-20(28)15-16(22)2/h5-15,23-24H,4H2,1-3H3/t23-,24-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@]2([C@](C(=O)[C@]1(C2(OC)OC)Cl)(CC=C)O)Cl
InChI: InChI=1S/C14H18Cl2O6/c1-5-6-11(19)10(18)13(16)9(22-8(2)17)7-12(11,15)14(13,20-3)21-4/h5,9,19H,1,6-7H2,2-4H3/t9-,11-,12+,13-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C=CC6=CC(=C(C(=C6)OC)O)OC)C(=O)N(C5=O)C7=CC=CC(=C7)B(O)O)(O)O
InChI: InChI=1S/C36H34B2N2O11/c1-50-28-13-18(14-29(51-2)32(28)41)9-10-24-23-11-12-25-31(36(45)39(33(25)42)21-7-3-5-19(15-21)37(46)47)26(23)17-27-30(24)35(44)40(34(27)43)22-8-4-6-20(16-22)38(48)49/h3-11,13-16,24-27,30-31,41,46-49H,12,17H2,1-2H3/t24-,25-,26+,27+,30-,31-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F
InChI: InChI=1S/C18H27FN2O2/c1-13-6-4-5-7-16(13)20-18(22)12-21(2)11-14-8-9-17(23-3)15(19)10-14/h8-10,13,16H,4-7,11-12H2,1-3H3,(H,20,22)/p+1/t13-,16+/m1/s1
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O
InChI: InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
SMILES: CC(C)(C)OC(=O)N1C(=O)OC[C@@]12[C@@H]3C[C@H]([C@H]2[C@@H](COCC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)CC(=O)O3
InChI: InChI=1S/C37H42N2O7/c1-36(2,3)46-35(42)39-34(41)44-25-37(39)31-19-29(20-32(40)45-31)33(37)30(24-43-23-28-17-11-6-12-18-28)38(21-26-13-7-4-8-14-26)22-27-15-9-5-10-16-27/h4-18,29-31,33H,19-25H2,1-3H3/t29-,30+,31-,33-,37-/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)OC5=CC=CC(=C5)C=O)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)OC
InChI: InChI=1S/C48H58N2O11/c1-6-22-58-48-43(50(46(54)55-5)28-31-16-18-41-42(24-31)57-30-56-41)27-39(49-61-47(2,3)4)37-25-33(13-7-9-20-51)36(15-8-10-21-52)44(45(37)48)38-26-35(17-19-40(38)60-48)59-34-14-11-12-32(23-34)29-53/h6,11-12,14,16-19,23-26,29,33,36,43-45,51-52H,1,7-10,13,15,20-22,27-28,30H2,2-5H3/t33-,36+,43-,44+,45+,48+/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)OC)(C)O)C)O[C@H](O2)C4=C(C=C(C=C4C)C)C)C)C
InChI: InChI=1S/C41H67NO11/c1-15-30-25(7)34-28(10)33(50-38(51-34)31-21(3)16-20(2)17-22(31)4)23(5)19-41(11,46)36(26(8)32(43)27(9)37(44)49-30)53-39-35(52-40(45)47-14)29(42(12)13)18-24(6)48-39/h16-17,23-30,32-36,38-39,43,46H,15,18-19H2,1-14H3/t23-,24-,25+,26+,27-,28+,29+,30-,32+,33+,34+,35-,36-,38-,39+,41-/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=C(C=C3)Cl)(C)C(=O)OCC
InChI: InChI=1S/C18H21ClN2O4/c1-4-21-15(22)12-13(16(21)23)18(3,17(24)25-5-2)20-14(12)10-6-8-11(19)9-7-10/h6-9,12-14,20H,4-5H2,1-3H3/p+1/t12-,13+,14+,18-/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O
InChI: InChI=1S/C38H27BrN2O6/c1-2-6-19-7-5-8-23(34(19)43)31-22-15-16-24-32(25(22)17-26-33(31)29(42)18-27(39)35(26)44)38(46)41(37(24)45)21-13-11-20(12-14-21)36-40-28-9-3-4-10-30(28)47-36/h2-5,7-15,18,24-25,31-32,43H,1,6,16-17H2/t24-,25+,31+,32-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C=C2)C)C)C(C)C
InChI: InChI=1S/C19H28O2/c1-12(2)17-9-6-13(3)10-18(17)21-19(20)16-8-7-14(4)15(5)11-16/h7-8,11-13,17-18H,6,9-10H2,1-5H3/t13-,17+,18-/m1/s1
SMILES: CC(C)C(=O)N(CC1=CC=C(C=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C28H34FIN2O7/c1-16(2)28(37)32(14-17-4-6-20(29)7-5-17)22-12-19(27(36)31-8-9-33)13-23(25(22)35)39-26-21(30)10-18(15-34)11-24(26)38-3/h4-7,10-11,13,16,22-23,25,33-35H,8-9,12,14-15H2,1-3H3,(H,31,36)/t22-,23+,25+/m1/s1
SMILES: COC1=C(C2=C(C=C1)[C@]34CCN5[C@H]3[C@]6(CCC5)CC[C@@]4(N2C(=O)OC)C(C6)(C(=O)OC)O)OC
InChI: InChI=1S/C25H32N2O7/c1-31-16-7-6-15-17(18(16)32-2)27(21(29)34-4)25-10-9-22(14-24(25,30)20(28)33-3)8-5-12-26-13-11-23(15,25)19(22)26/h6-7,19,30H,5,8-14H2,1-4H3/t19-,22+,23+,24?,25-/m0/s1
SMILES: CCCCCCCCCCCCC/C=C\C[C@@H]1[C@H](OC(O1)(C)C)[C@@](COCOC)(C(=O)OC)NC(=O)C2=CC=CC=C2
InChI: InChI=1S/C34H55NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-30(42-33(2,3)41-29)34(32(37)39-5,26-40-27-38-4)35-31(36)28-23-20-19-21-24-28/h18-24,29-30H,6-17,25-27H2,1-5H3,(H,35,36)/b22-18-/t29-,30+,34+/m1/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H]([C@@H](O2)O)OC(O3)(C)C)C
InChI: InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9-,10+/m0/s1
SMILES: COC(=O)[C@@]12[C@@H](CCCC1=O)C(C(=O)C[C@@H]2CCC3C4(CCCC35OCCO5)OCCO4)C(=O)OCC=C
InChI: InChI=1S/C28H38O10/c1-3-12-34-24(31)23-19-6-4-7-22(30)28(19,25(32)33-2)18(17-20(23)29)8-9-21-26(35-13-14-36-26)10-5-11-27(21)37-15-16-38-27/h3,18-19,21,23H,1,4-17H2,2H3/t18-,19-,23?,28-/m0/s1
SMILES: C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C15H14N2O5S/c18-11(8-22-9-4-2-1-3-5-9)16-12-13(19)17-10(15(20)21)6-7-23-14(12)17/h1-6,12,14H,7-8H2,(H,16,18)(H,20,21)/t12-,14-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C20H26FN5O2S/c1-13-7-3-5-9-15(13)22-19(28)12-29-20-25-24-17(26(20)2)11-18(27)23-16-10-6-4-8-14(16)21/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,22,28)(H,23,27)/t13-,15+/m0/s1
SMILES: CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C34H44O5/c1-2-3-4-5-6-16-23-36-34-33(38-26-30-21-14-9-15-22-30)32(37-25-29-19-12-8-13-20-29)31(39-34)27-35-24-28-17-10-7-11-18-28/h7-15,17-22,31-34H,2-6,16,23-27H2,1H3/t31-,32-,33-,34+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)F
InChI: InChI=1S/C18H24FN3O2/c1-12-5-2-3-8-16(12)21-18(24)20-14-10-17(23)22(11-14)15-7-4-6-13(19)9-15/h4,6-7,9,12,14,16H,2-3,5,8,10-11H2,1H3,(H2,20,21,24)/t12-,14-,16-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O2)COC(=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H15NO4/c19-16(13-9-5-2-6-10-13)18-17(20)21-11-14-15(22-14)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H,18,19,20)/t14-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)[S@@](=O)N2[C@H]([C@H]2C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C17H17NO3S/c1-12-8-10-14(11-9-12)22(20)18-15(16(18)17(19)21-2)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3/t15-,16-,18?,22+/m0/s1
SMILES: COC1=C(C=C2C(=C1O)C3[C@@H]([C@H](C([C@H](O3)CO)O)O)OC2=O)O
InChI: InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8?,10+,12?,13-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CCN3C(=O)COC4=CC=CC=C43
InChI: InChI=1S/C20H26N2O3/c23-19(21-11-9-15-5-1-2-6-16(15)13-21)10-12-22-17-7-3-4-8-18(17)25-14-20(22)24/h3-4,7-8,15-16H,1-2,5-6,9-14H2/t15-,16+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H19NO6/c1-25-19(24)13-8-6-12(7-9-13)11-26-16(21)10-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-3,6-9,14-15H,4-5,10-11H2,1H3/t14-,15-/m1/s1
SMILES: C[C@H](CC=C)C(=O)N1[C@H]([C@H](OC1=O)[C@H]2COC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C19H29NO7/c1-7-8-11(2)16(21)20-14(12-9-23-18(3,4)26-12)15(25-17(20)22)13-10-24-19(5,6)27-13/h7,11-15H,1,8-10H2,2-6H3/t11-,12-,13-,14+,15-/m1/s1
SMILES: CC1=C2[C@@H]([C@H]([C@@](CC2=NN1)(C)O)C(=O)C)C3=CC(=CC=C3)F
InChI: InChI=1S/C17H19FN2O2/c1-9-14-13(20-19-9)8-17(3,22)16(10(2)21)15(14)11-5-4-6-12(18)7-11/h4-7,15-16,22H,8H2,1-3H3,(H,19,20)/t15-,16+,17-/m0/s1
SMILES: CC(CCC1=CC=CC=C1)OC2=C(C=CC(=C2)[C@H]3CN(C[C@@]3(C)C(C)O)C(=O)OC)OC
InChI: InChI=1S/C26H35NO5/c1-18(11-12-20-9-7-6-8-10-20)32-24-15-21(13-14-23(24)30-4)22-16-27(25(29)31-5)17-26(22,3)19(2)28/h6-10,13-15,18-19,22,28H,11-12,16-17H2,1-5H3/t18?,19?,22-,26+/m1/s1
SMILES: CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)/C=C\C4=CC=NO4
InChI: InChI=1S/C24H26N6O8S2/c1-24(2,3)22(34)37-11-36-21(33)17-12(5-6-13-7-8-26-38-13)9-39-20-16(19(32)30(17)20)28-18(31)15(29-35-4)14-10-40-23(25)27-14/h5-8,10,16,20H,9,11H2,1-4H3,(H2,25,27)(H,28,31)/b6-5-,29-15-/t16-,20-/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C43H49N3O11/c1-3-20-55-43-39(45(2)42(50)29-12-16-37-38(22-29)54-26-53-37)24-35(44-56-25-27-10-13-30(14-11-27)46(51)52)33-21-28(8-4-6-18-47)32(9-5-7-19-48)40(41(33)43)34-23-31(49)15-17-36(34)57-43/h3,10-17,21-23,28,32,39-41,47-49H,1,4-9,18-20,24-26H2,2H3/t28-,32+,39-,40+,41+,43+/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)C4=CN=CC=C4)CSC5=NC=NN5
InChI: InChI=1S/C28H29N5O4S/c1-18-24(16-38-28-31-17-32-33-28)36-27(37-25(18)21-8-6-20(15-34)7-9-21)22-10-4-19(5-11-22)13-30-26(35)23-3-2-12-29-14-23/h2-12,14,17-18,24-25,27,34H,13,15-16H2,1H3,(H,30,35)(H,31,32,33)/t18-,24+,25+,27+/m0/s1
SMILES: C[C@H]1CN(C[C@@H]1NC(=O)OC(C)(C)C)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C
InChI: InChI=1S/C24H30FN3O5/c1-12-9-27(11-18(12)26-23(32)33-24(3,4)5)20-13(2)19-15(14-6-7-14)8-16(22(30)31)21(29)28(19)10-17(20)25/h8,10,12,14,18H,6-7,9,11H2,1-5H3,(H,26,32)(H,30,31)/t12-,18-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=CN2)O[C@@H]3[C@H]([C@@H](O[C@@]([C@]3(O)Cl)(C(=O)O)Br)O)O
InChI: InChI=1S/C14H13BrClNO7/c15-13(12(20)21)14(16,22)10(9(18)11(19)24-13)23-8-5-17-7-4-2-1-3-6(7)8/h1-5,9-11,17-19,22H,(H,20,21)/t9-,10-,11-,13-,14+/m1/s1
SMILES: C1[C@@H]2[C@H](CC(=O)O2)[C@@H]([C@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)/C=C/C(=O)COC5=CC(=CC=C5)Cl
InChI: InChI=1S/C30H25ClO6/c31-22-7-4-8-24(15-22)35-18-23(32)13-14-25-26-16-29(33)36-28(26)17-27(25)37-30(34)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,25-28H,16-18H2/b14-13+/t25-,26+,27-,28+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)OC2=CC3=C(C=C2)[C@H]4[C@@H](CO3)C5=CC6=C(C=C5O4)OCO6
InChI: InChI=1S/C25H21NO6/c1-14(15-5-3-2-4-6-15)26-25(27)31-16-7-8-17-20(9-16)28-12-19-18-10-22-23(30-13-29-22)11-21(18)32-24(17)19/h2-11,14,19,24H,12-13H2,1H3,(H,26,27)/t14-,19-,24-/m0/s1
SMILES: C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C20H23FN2O3/c21-16-3-1-2-13(10-16)12-22-6-8-23(9-7-22)19(24)17-14-4-5-15(11-14)18(17)20(25)26/h1-5,10,14-15,17-18H,6-9,11-12H2,(H,25,26)/t14-,15+,17+,18+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=C)C(C2CCCCC2)O)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C26H38O3/c1-18-15-16-22(26(3,4)21-13-9-6-10-14-21)23(17-18)29-25(28)19(2)24(27)20-11-7-5-8-12-20/h6,9-10,13-14,18,20,22-24,27H,2,5,7-8,11-12,15-17H2,1,3-4H3/t18-,22-,23-,24?/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)SCCC7=CC=NC=C7
InChI: InChI=1S/C47H54N2O6S/c1-3-28-53-47-44(56-29-23-33-21-24-48-25-22-33)32-42(49-52-2)40-30-36(13-7-9-26-50)39(14-8-10-27-51)45(46(40)47)41-31-38(19-20-43(41)55-47)54-37-17-15-35(16-18-37)34-11-5-4-6-12-34/h3-6,11-12,15-22,24-25,30-31,36,39,44-46,50-51H,1,7-10,13-14,23,26-29,32H2,2H3/t36-,39+,44-,45+,46+,47+/m0/s1
SMILES: CCN1CC[C@]([C@@H](C1)C(=O)/C=C/C2=CC=C(C=C2)OC)(/C=C/C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C26H31NO4/c1-4-27-18-17-26(29,16-15-21-7-12-23(31-3)13-8-21)24(19-27)25(28)14-9-20-5-10-22(30-2)11-6-20/h5-16,24,29H,4,17-19H2,1-3H3/b14-9+,16-15+/t24-,26-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=N)CCC(=O)O)COP(=O)(O)O)O
InChI: InChI=1S/C13H18N5O8P/c14-12-11-13(16-5-17(12)2-1-10(20)21)18(6-15-11)9-3-7(19)8(26-9)4-25-27(22,23)24/h5-9,14,19H,1-4H2,(H,20,21)(H2,22,23,24)/t7-,8+,9+/m0/s1
SMILES: C1[C@@]2([C@@H](C3=C(C=CC(=C3)Cl)OC2=O)C4=C(S1)NC(=O)S4)CC(=O)O
InChI: InChI=1S/C15H10ClNO5S2/c16-6-1-2-8-7(3-6)10-11-12(17-14(21)24-11)23-5-15(10,4-9(18)19)13(20)22-8/h1-3,10H,4-5H2,(H,17,21)(H,18,19)/t10-,15+/m0/s1
SMILES: CCCCC/C(=C\[C@H]1[C@@H]([C@H]2[C@@H](O1)[C@H]([C@@H]3[C@@H](O2)CC[C@@H](O3)CC(=O)OC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)/OC
InChI: InChI=1S/C33H62O8Si2/c1-10-17-18-19-24(35-8)22-27-30(40-42(11-2,12-3)13-4)31-32(39-27)33(41-43(14-5,15-6)16-7)29-26(38-31)21-20-25(37-29)23-28(34)36-9/h22,25-27,29-33H,10-21,23H2,1-9H3/b24-22+/t25-,26+,27+,29+,30+,31+,32-,33+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O[11C](=O)O2)C3=CC=CC=C3
InChI: InChI=1S/C15H12O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1/i15-1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)N
InChI: InChI=1S/C24H18N2O2/c25-13-6-5-7-14(12-13)26-23(27)21-19-15-8-1-2-9-16(15)20(22(21)24(26)28)18-11-4-3-10-17(18)19/h1-12,19-22H,25H2/t19?,20?,21-,22-/m1/s1
SMILES: C=C1C(CC2C1C(OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6?,8?,9-,10?,11+,12+,13-,15?,16+/m1/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@@H]4N1C5=CC=CC=C5C=C4
InChI: InChI=1S/C21H23NO4/c1-21(2,3)19(24)17-16-14-10-25-20(26-14)18(23)15(16)13-9-8-11-6-4-5-7-12(11)22(13)17/h4-9,13-17,20H,10H2,1-3H3/t13-,14+,15-,16+,17+,20+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-]
InChI: InChI=1S/C17H19NO5/c1-23-17(22)9-4-6-12(7-5-9)18-15(19)13-10-2-3-11(8-10)14(13)16(20)21/h4-7,10-11,13-14H,2-3,8H2,1H3,(H,18,19)(H,20,21)/p-1/t10-,11-,13-,14-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)O)C(=O)NNC(=O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H17ClN2O4/c17-11-3-1-2-10(7-11)14(20)18-19-15(21)12-8-4-5-9(6-8)13(12)16(22)23/h1-3,7-9,12-13H,4-6H2,(H,18,20)(H,19,21)(H,22,23)/t8-,9+,12+,13+/m1/s1
SMILES: CC(=C1CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CCC[C@@]3(C)C(=O)[O-])C)C
InChI: InChI=1S/C20H32O2/c1-13(2)14-9-11-19(3)15(12-14)7-8-17-16(19)6-5-10-20(17,4)18(21)22/h15-17H,5-12H2,1-4H3,(H,21,22)/p-1/t15-,16+,17-,19-,20-/m1/s1
SMILES: C=CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OP3(=O)OCC4=CC=CC=C4CO3)OC(=O)OCC#C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C31H33Cl3NO12P/c1-3-14-40-28-25(35-29(36)42-20-31(32,33)34)27(46-30(37)41-15-4-2)26(24(45-28)19-39-16-21-10-6-5-7-11-21)47-48(38)43-17-22-12-8-9-13-23(22)18-44-48/h2-3,5-13,24-28H,1,14-20H2,(H,35,36)/t24-,25-,26-,27-,28+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)COC2=CC(=CC=C2)F)C(C)C
InChI: InChI=1S/C20H27FO5/c1-13(2)17-8-7-14(3)9-18(17)26-20(23)12-25-19(22)11-24-16-6-4-5-15(21)10-16/h4-6,10,13-14,17-18H,7-9,11-12H2,1-3H3/t14-,17+,18-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC(=O)NCC3=CC=CS3
InChI: InChI=1S/C17H22N4O4S/c1-11-5-2-3-7-17(11)14(23)21(16(25)20-17)10-13(22)19-15(24)18-9-12-6-4-8-26-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,20,25)(H2,18,19,22,24)/t11-,17+/m0/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=C(C=C6OC)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)Cl)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H34Cl3N3O8/c1-53-25-11-4-20(5-12-25)41-29(38(50)47(40(41)52)45-31-15-8-22(43)16-30(31)44)19-28-26(36(41)35-32(54-2)17-24(48)18-33(35)55-3)13-14-27-34(28)39(51)46(37(27)49)23-9-6-21(42)7-10-23/h4-13,15-18,27-29,34,36,45,48H,14,19H2,1-3H3/t27-,28+,29-,34-,36+,41+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CC4=C(C(=C(C(=C4[C@@H]2[C@@H]5[C@H]([C@@H]3O)OC(=O)[C@H](N5)C6=CC(=C(C7=C6OCO7)O)OS(=O)(=O)C8=CC=C(C=C8)C)OC)OC)C)Br
InChI: InChI=1S/C38H37BrN2O13S2/c1-17-6-10-20(11-7-17)55(45,46)41-24-14-22-26(35(50-5)33(49-4)19(3)27(22)39)30(41)29-36(31(24)42)53-38(44)28(40-29)23-15-25(32(43)37-34(23)51-16-52-37)54-56(47,48)21-12-8-18(2)9-13-21/h6-13,15,24,28-31,36,40,42-43H,14,16H2,1-5H3/t24-,28+,29+,30+,31+,36+/m0/s1
SMILES: CNC(=O)O/N=C/1\[C@@H]2C[C@H]([C@@H]1Cl)C[C@@H]2C#N
InChI: InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)/b14-9+/t5-,6-,7-,8+/m1/s1
SMILES: CC(C)OC(=O)N1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C(=O)NC4=NC=C(C=C4)Cl
InChI: InChI=1S/C24H30ClN7O5S/c1-13(2)37-24(36)32-9-7-15(27-20(33)21(34)30-19-5-4-14(25)10-26-19)17(11-32)28-22(35)23-29-16-6-8-31(3)12-18(16)38-23/h4-5,10,13,15,17H,6-9,11-12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t15-,17+/m0/s1
SMILES: CCS(=NS(=O)(=O)C1=CC=C(C=C1)C)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H31NO11S2/c1-7-36(24-37(29,30)18-10-8-13(2)9-11-18)23-22(34-17(6)28)21(33-16(5)27)20(32-15(4)26)19(35-23)12-31-14(3)25/h8-11,19-23H,7,12H2,1-6H3/t19-,20+,21+,22-,23-,36?/m1/s1
SMILES: CC1([C@@H]2CC[C@H]([C@H]1C2)CN3CCC(CC3)N4C(=O)CC5=CC=CC=C54)C
InChI: InChI=1S/C23H32N2O/c1-23(2)18-8-7-17(20(23)14-18)15-24-11-9-19(10-12-24)25-21-6-4-3-5-16(21)13-22(25)26/h3-6,17-20H,7-15H2,1-2H3/t17-,18+,20+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3C(=O)O)Br)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H15BrFNO2/c20-11-8-15-13-2-1-3-14(13)17(10-4-6-12(21)7-5-10)22-18(15)16(9-11)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/t13-,14-,17-/m1/s1
SMILES: CC(C)O[C@@H]1C(=O)C[C@H]([C@H](O1)COC(=O)C)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H36O14S/c1-11(2)34-24-17(31)8-20(18(38-24)9-32-12(3)26)40-25-23(37-16(7)30)22(36-15(6)29)21(35-14(5)28)19(39-25)10-33-13(4)27/h11,18-25H,8-10H2,1-7H3/t18-,19-,20-,21+,22+,23-,24+,25+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)O)C(=O)N(C3=O)C7=CC=C(C=C7)C(=O)O)O
InChI: InChI=1S/C36H30N2O10/c1-2-48-27-15-19(7-14-26(27)39)28-22-12-13-23-29(33(42)37(31(23)40)20-8-3-17(4-9-20)35(44)45)24(22)16-25-30(28)34(43)38(32(25)41)21-10-5-18(6-11-21)36(46)47/h3-12,14-15,23-25,28-30,39H,2,13,16H2,1H3,(H,44,45)(H,46,47)/t23-,24+,25+,28-,29-,30+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5/C=C/C(=O)OC)C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H54O12/c1-20(38)44-19-30-32(45-21(2)39)33(46-22(3)40)34(47-23(4)41)35(49-30)48-26-14-16-37(6)25(18-26)8-11-27-28-12-9-24(10-13-31(42)43-7)36(28,5)17-15-29(27)37/h10,13,24-30,32-35H,8-9,11-12,14-19H2,1-7H3/b13-10+/t24-,25-,26+,27+,28+,29+,30-,32-,33+,34-,35-,36-,37+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N
InChI: InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7+,10-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]3[C@@H]2O[C@H](OC3)C4=CC=CC=C4)OC)N=[N+]=[N-])N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H34N4O12/c1-12(31)35-10-16-20(37-13(2)32)22(38-14(3)33)18(27)25(39-16)42-23-19(29-30-28)26(34-4)40-17-11-36-24(41-21(17)23)15-8-6-5-7-9-15/h5-9,16-26H,10-11,27H2,1-4H3/t16-,17-,18-,19-,20-,21+,22-,23-,24+,25+,26-/m1/s1
SMILES: CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/Br)OC(=O)[C@@H](CC(C)C)N
InChI: InChI=1S/C25H31BrN3O9P/c1-14(2)9-18(27)24(31)37-19-10-21(29-11-16(7-8-26)23(30)28-25(29)32)36-20(19)13-35-39(33)34-12-17-6-4-5-15(3)22(17)38-39/h4-8,11,14,18-21H,9-10,12-13,27H2,1-3H3,(H,28,30,32)/b8-7+/t18-,19+,20-,21-,39?/m1/s1
SMILES: CC1=CC=C(N1[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C20H27NO9/c1-10-7-8-11(2)21(10)17-19(28-14(5)24)18(27-13(4)23)16(9-26-12(3)22)30-20(17)29-15(6)25/h7-8,16-20H,9H2,1-6H3/t16-,17-,18-,19-,20-/m1/s1
SMILES: CC1=CC[C@]23[C@]1(COC(O2)(C)C)C(=O)[C@]4([C@@]3(C(C4Cl)Cl)C)C
InChI: InChI=1S/C17H22Cl2O3/c1-9-6-7-17-15(5)11(19)10(18)14(15,4)12(20)16(9,17)8-21-13(2,3)22-17/h6,10-11H,7-8H2,1-5H3/t10?,11?,14-,15-,16-,17-/m0/s1
SMILES: C1[C@@H]2[C@@]13C(=CC4=CC=CC=C4C3=O)N(C2)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8N7
InChI: InChI=1S/C31H22N4O3/c36-28-22-7-3-1-5-17(22)14-27-31(28)15-20(31)16-35(27)30(38)26-13-19-11-21(9-10-24(19)34-26)32-29(37)25-12-18-6-2-4-8-23(18)33-25/h1-14,20,33-34H,15-16H2,(H,32,37)/t20-,31+/m0/s1
SMILES: CCCCCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CN3CCCC3)OC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)OC(O2)(C)C
InChI: InChI=1S/C31H50N2O8S/c1-5-6-7-8-9-10-11-14-21-37-27-26(39-29-28(27)40-31(3,4)41-29)25(22-33-19-12-13-20-33)38-30(34)32-42(35,36)24-17-15-23(2)16-18-24/h15-18,25-29H,5-14,19-22H2,1-4H3,(H,32,34)/t25?,26-,27+,28-,29-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](OC(O[C@H]2C3=CC=C(C=C3)CO)C4=CC(=CC=C4)NC(=O)C5=CC6=C(C=C5)C(=O)OC6=O)CSCCO
InChI: InChI=1S/C35H31NO8S/c37-15-16-45-20-29-30(22-5-2-1-3-6-22)31(23-11-9-21(19-38)10-12-23)43-35(42-29)25-7-4-8-26(17-25)36-32(39)24-13-14-27-28(18-24)34(41)44-33(27)40/h1-14,17-18,29-31,35,37-38H,15-16,19-20H2,(H,36,39)/t29-,30-,31+,35?/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)CO)O)O
InChI: InChI=1S/C14H25NO11/c1-4(18)15-7-10(21)8(19)6(3-17)25-14(7)26-12-11(22)9(20)5(2-16)24-13(12)23/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10-,11+,12+,13?,14?/m1/s1
SMILES: CC([C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@@H]3[C@H]2CCC(=O)C3)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C20H30O5/c1-11(24-12(2)21)17-7-8-18-15-6-5-14(23)9-16(15)19(25-13(3)22)10-20(17,18)4/h11,15-19H,5-10H2,1-4H3/t11?,15-,16+,17-,18+,19+,20-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C6CCCCC6)O
InChI: InChI=1S/C31H33NO6/c1-3-38-25-14-17(9-12-23(25)33)26-19-10-11-20-27(31(37)32(30(20)36)18-7-5-4-6-8-18)21(19)15-22-28(26)24(34)13-16(2)29(22)35/h9-10,12-14,18,20-21,26-27,33H,3-8,11,15H2,1-2H3/t20-,21+,26-,27-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCCC4
InChI: InChI=1S/C23H31NO5/c1-2-27-23(26)19-12-18(19)14-24(22(25)17-7-5-3-4-6-8-17)13-16-9-10-20-21(11-16)29-15-28-20/h9-11,17-19H,2-8,12-15H2,1H3/t18-,19-/m0/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)[O-])N2C3=CC=C(C=C3)F
InChI: InChI=1S/C15H15FN2O6S2/c16-9-1-3-10(4-2-9)18-11-7-26(22,23)8-12(11)25-15(18)17-13(19)5-24-6-14(20)21/h1-4,11-12H,5-8H2,(H,20,21)/p-1/t11-,12-/m1/s1
SMILES: CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21-,22+/m1/s1
SMILES: [2H]C1(C(C([N+](C1([2H])[2H])(C)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O)([2H])[2H])([2H])[2H])[2H]
InChI: InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/b23-12-/t13-,17-/m1/s1/i3D2,4D2,5D2,6D2
SMILES: C[C@@H]1[C@@H]2CC[C@@H]3[C@@]([C@H]2C(=O)C=C1C=C)(C[C@@H](C(=O)C3(C)C)O)C
InChI: InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m0/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H]([C@@H]([C@H](O4)N5C=NC6=C(N=C(N=C65)F)N)O)O)O)O)F)N
InChI: InChI=1S/C20H23F2N10O10P/c21-19-27-13(23)7-15(29-19)31(3-25-7)17-11(35)9(33)5(41-17)1-39-43(37,38)40-2-6-10(34)12(36)18(42-6)32-4-26-8-14(24)28-20(22)30-16(8)32/h3-6,9-12,17-18,33-36H,1-2H2,(H,37,38)(H2,23,27,29)(H2,24,28,30)/t5-,6-,9-,10-,11+,12+,17+,18+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)C4=CC=NC=C4
InChI: InChI=1S/C20H26N4O3/c25-18(23-13-11-22(12-14-23)15-5-8-21-9-6-15)7-10-24-19(26)16-3-1-2-4-17(16)20(24)27/h5-6,8-9,16-17H,1-4,7,10-14H2/t16-,17-/m0/s1
SMILES: CC(=O)N[14C@@H]1[14C@H]([14C@@H]([14C@H](O[14C@H]1O)[14CH2]O)O)O
InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1/i2+2,4+2,5+2,6+2,7+2,8+2
SMILES: C[Si](C)(C)CCOCO[C@H]1[C@H](N(C(=NC#N)N([C@@H]([C@@H]1OCOCC[Si](C)(C)C)CC2=CC=CC=C2)CC3CCCC3)CC4CCCC4)CC5=CC=CC=C5
InChI: InChI=1S/C44H70N4O4Si2/c1-53(2,3)27-25-49-34-51-42-40(29-36-17-9-7-10-18-36)47(31-38-21-13-14-22-38)44(46-33-45)48(32-39-23-15-16-24-39)41(30-37-19-11-8-12-20-37)43(42)52-35-50-26-28-54(4,5)6/h7-12,17-20,38-43H,13-16,21-32,34-35H2,1-6H3/t40-,41-,42+,43+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](C(=O)N([C@@H]2O1)CC3=CC=CC=C3)O)C
InChI: InChI=1S/C14H17NO4/c1-14(2)18-11-10(16)12(17)15(13(11)19-14)8-9-6-4-3-5-7-9/h3-7,10-11,13,16H,8H2,1-2H3/t10-,11-,13-/m1/s1