EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@]14OC(=O)[C@](O4)([C@H]([C@H]3OC(=O)C5=CC=CC=C5)CNC)C)([C@H]([C@H]([C@H](C2(C)C)O)OC(=O)C)OC(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C38H45NO12/c1-20(40)46-26-18-25-35(3,4)30(42)28(47-21(2)41)31(49-33(44)23-16-12-9-13-17-23)36(25,5)29-27(48-32(43)22-14-10-8-11-15-22)24(19-39-7)37(6)34(45)50-38(26,29)51-37/h8-17,24-31,39,42H,18-19H2,1-7H3/t24-,25-,26+,27+,28-,29+,30+,31-,36-,37+,38-/m0/s1
SMILES: C(CS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OS(=O)(=O)O
InChI: InChI=1S/C8H16O9S2/c9-3-4-5(10)6(11)7(12)8(17-4)18-2-1-16-19(13,14)15/h4-12H,1-3H2,(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4
InChI: InChI=1S/C19H28O3/c1-17-7-6-14-12(13(17)3-4-15(17)21)9-16-19(22-16)10-11(20)5-8-18(14,19)2/h11-14,16,20H,3-10H2,1-2H3/t11-,12+,13-,14-,16-,17+,18+,19-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1ON2C(=O)C3=CC=CC=C3C2=O)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H24N2O11/c1-10(25)23-17-19(33-13(4)28)18(32-12(3)27)16(9-31-11(2)26)34-22(17)35-24-20(29)14-7-5-6-8-15(14)21(24)30/h5-8,16-19,22H,9H2,1-4H3,(H,23,25)/t16-,17-,18+,19-,22-/m1/s1
SMILES: CC1=C(C(C2(CC1)SCCS2)(C)C)[C@@H]3[C@H](OC(O3)(C)C)C4=C(C=C(C=C4OC)OC)CO
InChI: InChI=1S/C25H36O5S2/c1-15-8-9-25(31-10-11-32-25)23(2,3)20(15)22-21(29-24(4,5)30-22)19-16(14-26)12-17(27-6)13-18(19)28-7/h12-13,21-22,26H,8-11,14H2,1-7H3/t21-,22-/m1/s1
SMILES: C[C@]1([C@@](O[C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)C=O)(C)OC)OC
InChI: InChI=1S/C16H32O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h10,12-13H,11H2,1-9H3/t12-,13-,15+,16+/m1/s1
SMILES: CCCCCCCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C32H41Cl2IN2O7/c1-3-4-5-6-7-8-29(40)37(18-20-9-10-23(33)24(34)13-20)26-16-22(32(42)36-11-12-38)17-27(30(26)41)44-31-25(35)14-21(19-39)15-28(31)43-2/h9-10,13-15,17,26-27,30,38-39,41H,3-8,11-12,16,18-19H2,1-2H3,(H,36,42)/t26-,27+,30+/m1/s1
SMILES: C[C@@H]1[C@](C2=C(C=CC(=C2O1)Br)O[Si](C(C)C)(C(C)C)C(C)C)(C)C#N
InChI: InChI=1S/C20H30BrNO2Si/c1-12(2)25(13(3)4,14(5)6)24-17-10-9-16(21)19-18(17)20(8,11-22)15(7)23-19/h9-10,12-15H,1-8H3/t15-,20+/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=C(C(=C(C=C4)C)C)NC3=O)CC(=O)N
InChI: InChI=1S/C21H26N4O4/c1-4-5-8-25-18(27)15-13(9-14(22)26)24-21(16(15)19(25)28)12-7-6-10(2)11(3)17(12)23-20(21)29/h6-7,13,15-16,24H,4-5,8-9H2,1-3H3,(H2,22,26)(H,23,29)/t13-,15+,16-,21+/m0/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)[C@H]2C[C@@H]2C
InChI: InChI=1S/C17H24N2O5S/c1-4-19(5-2)25(22,23)14-8-6-7-13(10-14)18-16(20)11-24-17(21)15-9-12(15)3/h6-8,10,12,15H,4-5,9,11H2,1-3H3,(H,18,20)/t12-,15-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)N3CCC[C@@H]3C4=CC5=C(C=C4)OCCCO5
InChI: InChI=1S/C24H30N2O5/c27-22(10-12-26-23(28)17-5-1-2-6-18(17)24(26)29)25-11-3-7-19(25)16-8-9-20-21(15-16)31-14-4-13-30-20/h8-9,15,17-19H,1-7,10-14H2/t17-,18+,19-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCCC2CCCCC2)/[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)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C38H70N2O10/c1-12-29-38(8,45)33(43)24(4)30(39-47-19-18-27-16-14-13-15-17-27)22(2)21-37(7,46-11)34(25(5)31(41)26(6)35(44)49-29)50-36-32(42)28(40(9)10)20-23(3)48-36/h22-29,31-34,36,41-43,45H,12-21H2,1-11H3/b39-30+/t22-,23-,24+,25+,26-,28+,29-,31+,32-,33-,34-,36+,37-,38-/m1/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C25H25N5/c1-24(2,3)15-8-9-16-18(10-15)22(20-12-30-21-7-5-4-6-17(20)21)25(13-27,14-28)23(29)19(16)11-26/h4-7,9,12,15,18-19,22,29-30H,8,10H2,1-3H3/t15-,18-,19?,22-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)Cl)O
InChI: InChI=1S/C45H35Cl2FN4O6/c1-58-37-22-24(21-36(47)40(37)53)39-32-19-20-33-38(43(56)51(41(33)54)31-17-15-29(16-18-31)49-28-5-3-2-4-6-28)34(32)23-35-42(55)52(50-30-13-11-27(48)12-14-30)44(57)45(35,39)25-7-9-26(46)10-8-25/h2-19,21-22,33-35,38-39,49-50,53H,20,23H2,1H3/t33-,34+,35-,38-,39-,45+/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\N3C(=O)C4(CCCCC4)NC3=O
InChI: InChI=1S/C17H21N3O3/c1-11-9-13(11)14-6-5-12(23-14)10-18-20-15(21)17(19-16(20)22)7-3-2-4-8-17/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,19,22)/b18-10-/t11-,13+/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[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
InChI: InChI=1S/C41H32BrNO6/c1-49-34-20-27(44)16-17-29(34)37-28-18-19-30-36(40(48)43(39(30)47)26-14-12-25(42)13-15-26)32(28)21-33-38(46)31(23-8-4-2-5-9-23)22-35(45)41(33,37)24-10-6-3-7-11-24/h2-18,20,22,30,32-33,36-37,44H,19,21H2,1H3/t30-,32+,33-,36-,37+,41-/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H](CCC(=O)N2)[N+](=O)[O-]
InChI: InChI=1S/C13H16N2O4/c1-2-19-10-5-3-9(4-6-10)13-11(15(17)18)7-8-12(16)14-13/h3-6,11,13H,2,7-8H2,1H3,(H,14,16)/t11-,13-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N=C(C)C2[C@H]3[C@H](C3(C)C)CC2=O
InChI: InChI=1S/C18H23NO/c1-11(13-8-6-5-7-9-13)19-12(2)16-15(20)10-14-17(16)18(14,3)4/h5-9,11,14,16-17H,10H2,1-4H3/t11-,14+,16?,17+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)/C=C/[C@]3([C@H](OC([C@@H]3O)O)CCO)OCC4=CC=CC=C4)C
InChI: InChI=1S/C24H32O6/c1-22(2)17-8-10-23(22,18(26)14-17)11-12-24(29-15-16-6-4-3-5-7-16)19(9-13-25)30-21(28)20(24)27/h3-7,11-12,17,19-21,25,27-28H,8-10,13-15H2,1-2H3/b12-11+/t17-,19-,20+,21?,23-,24-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCC)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H81N3O9/c1-4-7-8-9-10-11-12-13-14-25-38-66-57(65)61(34-5-2)53-41-51(60-68-43-45-28-19-16-20-29-45)49-39-46(30-21-23-35-62)48(31-22-24-36-63)54-50-40-47(69-56(64)59-42-44-26-17-15-18-27-44)32-33-52(50)70-58(53,55(49)54)67-37-6-3/h6,15-20,26-29,32-33,39-40,46,48,53-55,62-63H,3-5,7-14,21-25,30-31,34-38,41-43H2,1-2H3,(H,59,64)/t46-,48+,53-,54+,55+,58+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC(=N5)C)OCC=C)CCCCO)CCCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C45H56N4O10/c1-5-22-48(44(52)58-34-18-16-33(17-19-34)49(53)54)41-28-39(47-55-4)37-26-31(13-7-9-23-50)36(15-8-10-24-51)42-38-27-35(56-29-32-14-11-12-30(3)46-32)20-21-40(38)59-45(41,43(37)42)57-25-6-2/h6,11-12,14,16-21,26-27,31,36,41-43,50-51H,2,5,7-10,13,15,22-25,28-29H2,1,3-4H3/t31-,36+,41-,42+,43+,45+/m0/s1
SMILES: CC(C)(CCNC(=O)OC)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C32H45N3O10S/c1-32(2,15-16-33-30(37)42-4)21-35(46(39,40)24-12-10-23(41-3)11-13-24)19-27(36)26(18-22-8-6-5-7-9-22)34-31(38)45-28-20-44-29-25(28)14-17-43-29/h5-13,25-29,36H,14-21H2,1-4H3,(H,33,37)(H,34,38)/t25-,26-,27+,28-,29+/m0/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C(C)C
InChI: InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
SMILES: CCN([C@H]1[C@@H](C(OC2=C1C=C(C=C2)N)(C)C)O)C3=CC=CC=C3
InChI: InChI=1S/C19H24N2O2/c1-4-21(14-8-6-5-7-9-14)17-15-12-13(20)10-11-16(15)23-19(2,3)18(17)22/h5-12,17-18,22H,4,20H2,1-3H3/t17-,18+/m1/s1
SMILES: COC1=C(C=C2[C@@H]([C@H]3C4=CC5=C(C=C4CCN3CC2=C1)OCO5)CO)OC
InChI: InChI=1S/C21H23NO5/c1-24-17-6-13-9-22-4-3-12-5-19-20(27-11-26-19)8-15(12)21(22)16(10-23)14(13)7-18(17)25-2/h5-8,16,21,23H,3-4,9-11H2,1-2H3/t16-,21+/m0/s1
SMILES: COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)[C@@H]4[C@H](N(O[C@@H]4C3=O)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H23N3O7S/c1-36-27(33)20-18-12-5-6-13-19(18)38-26(20)28-24(31)21-22(15-8-7-11-17(14-15)30(34)35)29(37-23(21)25(28)32)16-9-3-2-4-10-16/h2-4,7-11,14,21-23H,5-6,12-13H2,1H3/t21-,22-,23+/m1/s1
SMILES: CN1[C@@H]2C[C@H]([C@@H]([C@H]1C[C@@H]2OCOC)C(=O)OC)O
InChI: InChI=1S/C12H21NO5/c1-13-7-4-9(14)11(12(15)17-3)8(13)5-10(7)18-6-16-2/h7-11,14H,4-6H2,1-3H3/t7-,8-,9-,10+,11-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C23H24N6O5/c1-28(2)14-9-7-13(8-10-14)21-25-26-27-29(21)18-12-34-19-17(11-33-20(18)19)24-22(30)15-5-3-4-6-16(15)23(31)32/h3-10,17-20H,11-12H2,1-2H3,(H,24,30)(H,31,32)/t17-,18-,19+,20+/m0/s1
SMILES: C[C@@H]1CC(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]1(C)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C23H29NO6/c1-15-12-20(25)30-19-9-11-24-10-8-17(21(19)24)14-28-22(26)23(15,2)29-13-16-4-6-18(27-3)7-5-16/h4-8,15,19,21H,9-14H2,1-3H3/t15-,19-,21-,23+/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O.O
InChI: InChI=1S/C12H22O11.H2O/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4;/h3-20H,1-2H2;1H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+;/m1./s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2NC(=S)NNC3=C(C=C(C=C3Cl)Cl)Cl
InChI: InChI=1S/C14H16Cl3N3S/c15-9-5-10(16)13(11(17)6-9)19-20-14(21)18-12-4-7-1-2-8(12)3-7/h5-8,12,19H,1-4H2,(H2,18,20,21)/t7-,8+,12+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C22H22N2O3S/c25-20(23-15-8-2-1-3-9-15)14-27-22(26)17-11-5-4-10-16(17)21-24-18-12-6-7-13-19(18)28-21/h1-3,6-9,12-13,16-17H,4-5,10-11,14H2,(H,23,25)/t16-,17-/m1/s1
SMILES: CCOC(=O)C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H26O11/c1-6-24-15(23)7-13-16(26-10(3)20)18(28-12(5)22)17(27-11(4)21)14(29-13)8-25-9(2)19/h13-14,16-18H,6-8H2,1-5H3/t13-,14+,16-,17-,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCC4=CC=CS4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C24H35NOS/c1-23-11-9-17(26)14-16(23)5-6-19-20-7-8-22(24(20,2)12-10-21(19)23)25-15-18-4-3-13-27-18/h3-5,13,17,19-22,25-26H,6-12,14-15H2,1-2H3/t17-,19-,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@@H]1C[C@]2(O1)[C@@H]3[C@H](CC(=C)[C@@H]4C[C@@H](C(=C)[C@@H]4[C@H]3OC2=O)O)OC(=O)C(=C)CO
InChI: InChI=1S/C21H26O7/c1-9-5-15(26-19(24)10(2)8-22)17-18(16-12(4)14(23)6-13(9)16)27-20(25)21(17)7-11(3)28-21/h11,13-18,22-23H,1-2,4-8H2,3H3/t11-,13+,14+,15+,16+,17-,18-,21+/m1/s1
SMILES: C1=CC=C2[C@H]3[C@@H]4[C@H]([C@@H](N3C=CC2=C1)C(=O)N)C(=O)N(C4=O)C5=CC=CC=C5Cl
InChI: InChI=1S/C21H16ClN3O3/c22-13-7-3-4-8-14(13)25-20(27)15-16(21(25)28)18(19(23)26)24-10-9-11-5-1-2-6-12(11)17(15)24/h1-10,15-18H,(H2,23,26)/t15-,16+,17-,18+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NO)C#CC4=CC=CC=C4)CO)O)F
InChI: InChI=1S/C20H19FN4O4/c1-20(21)16(27)14(10-26)29-19(20)25-9-13(8-7-12-5-3-2-4-6-12)15-17(24-28)22-11-23-18(15)25/h2-6,9,11,14,16,19,26-28H,10H2,1H3,(H,22,23,24)/t14-,16-,19-,20-/m1/s1
SMILES: CC(=O)N1[C@H]2[C@H](C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC(=CC=C3)Br
InChI: InChI=1S/C15H12BrN3O5/c1-7(20)19-12-10(11(17-19)15(23)24-2)13(21)18(14(12)22)9-5-3-4-8(16)6-9/h3-6,10,12H,1-2H3/t10-,12-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@H]1CN(CC2=C(N(N=C2C)C)C)C(=O)C3CC3
InChI: InChI=1S/C18H27N3O3/c1-5-24-18(23)15-8-14(15)9-21(17(22)13-6-7-13)10-16-11(2)19-20(4)12(16)3/h13-15H,5-10H2,1-4H3/t14-,15-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C7=CC=C(C=C7)Cl)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C37H29ClN2O5/c1-37-29(34(43)40(36(37)45)22-8-3-2-4-9-22)19-28-25(31(37)27-16-11-20-7-5-6-10-24(20)32(27)41)17-18-26-30(28)35(44)39(33(26)42)23-14-12-21(38)13-15-23/h2-17,26,28-31,41H,18-19H2,1H3/t26-,28+,29-,30-,31+,37+/m0/s1
SMILES: CCOC(=O)C[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CN=[N+]=[N-]
InChI: InChI=1S/C23H24N8O6/c1-3-35-17(33)9-15-16(10-28-30-24)37-23(19(15)36-13(2)32)31-12-27-18-20(25-11-26-21(18)31)29-22(34)14-7-5-4-6-8-14/h4-8,11-12,15-16,19,23H,3,9-10H2,1-2H3,(H,25,26,29,34)/t15-,16-,19-,23-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC([C@@H]([C@H]1O)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)CCCCCCCCCCCCCCCCC)CO)CO
InChI: InChI=1S/C48H90O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-45-39(36-50)57-47(44(56)43(45)55)61-48(37-51)46(42(54)38(35-49)60-48)59-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-47,49-51,54-56H,3-37H2,1-2H3/t38-,39-,42-,43-,44-,45-,46+,47?,48+/m1/s1
SMILES: CC(=O)C[C@H]1C[C@H]2[C@H]([C@H]3N1CCC4=C3NC5=CC=CC=C45)[C@@H](C67CC/C=C\CCCCN6CC28[C@H]7N9C8CCCCCCC9)O
InChI: InChI=1S/C39H54N4O2/c1-26(44)23-27-24-30-33(35-34-29(18-22-42(27)35)28-15-10-11-16-31(28)40-34)36(45)39-19-12-6-2-3-7-13-20-41(39)25-38(30)32-17-9-5-4-8-14-21-43(32)37(38)39/h2,6,10-11,15-16,27,30,32-33,35-37,40,45H,3-5,7-9,12-14,17-25H2,1H3/b6-2-/t27-,30-,32?,33+,35+,36-,37+,38?,39?/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=CC=CC(=C8O)CC=C)C(=O)N(C7=O)C9=CC(=CC=C9)[N+](=O)[O-])C
InChI: InChI=1S/C43H36ClN5O7S/c1-5-8-22-9-6-12-28(37(22)50)36-26-14-15-27-35(41(53)47(39(27)51)24-10-7-11-25(18-24)49(55)56)30(26)19-31-40(52)48(42(54)43(31,36)3)34-20-32(45-46(34)4)38-21(2)29-17-23(44)13-16-33(29)57-38/h5-7,9-14,16-18,20,27,30-31,35-36,50H,1,8,15,19H2,2-4H3/t27-,30+,31-,35-,36+,43+/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/[C@@H](C)C[C@@H](C)C(=O)C[C@@H](/C(=C/[C@@H](C)C(=O)C[C@@H]([C@H](C)C[C@@H]1CC[C@H]([C@@H](C1)OC)O[Si](C(C)C)(C(C)C)C(C)C)O)/C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C43H81O6Si2.3C4H9.Sn/c1-19-31(8)22-32(9)39(46)27-41(48-50(17,18)43(13,14)15)35(12)23-33(10)37(44)26-38(45)34(11)24-36-20-21-40(42(25-36)47-16)49-51(28(2)3,29(4)5)30(6)7;3*1-3-4-2;/h1,19,23,28-34,36,38,40-42,45H,20-22,24-27H2,2-18H3;3*1,3-4H2,2H3;/b19-1?,35-23+;;;;/t31-,32-,33-,34-,36+,38+,40-,41+,42-;;;;/m1..../s1
SMILES: C[C@H]1CC[C@]23C1=C[C@](CC[C@H]2C)(N4N3C(=O)N(C4=O)C5=CC=CC=C5)C(C)C
InChI: InChI=1S/C23H29N3O2/c1-15(2)22-12-11-17(4)23(13-10-16(3)19(23)14-22)26-21(28)24(20(27)25(22)26)18-8-6-5-7-9-18/h5-9,14-17H,10-13H2,1-4H3/t16-,17+,22-,23+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3CCCCC3
InChI: InChI=1S/C18H25NO4S/c1-3-23-18(20)17-16(14-7-5-4-6-8-14)19(17)24(21,22)15-11-9-13(2)10-12-15/h9-12,14,16-17H,3-8H2,1-2H3/t16-,17-,19?/m1/s1
SMILES: C/C=C\C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@H](O[C@@H]([C@H]1OC)C)OC[C@]23C[C@@H]4[C@@H](CC[C@H]4[C@@]5([C@]2(C(=C[C@H]3C5)C(C)C)C(=O)O)C=O)C)O
InChI: InChI=1S/C34H48O9/c1-8-9-10-20(5)29(37)43-28-26(36)30(42-21(6)27(28)40-7)41-17-33-15-23-19(4)11-12-24(23)32(16-35)14-22(33)13-25(18(2)3)34(32,33)31(38)39/h8-10,13,16,18-19,21-24,26-28,30,36H,11-12,14-15,17H2,1-7H3,(H,38,39)/b9-8-,20-10-/t19-,21-,22+,23-,24-,26+,27-,28+,30-,32+,33+,34+/m1/s1
SMILES: CC(=O)O[C@@H]1CCC[C@@H]2[C@@]1([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC2)CC=C4C(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C28H36O3/c1-18(29)31-25-11-7-10-20-12-13-21-22-14-15-24(26(30)19-8-5-4-6-9-19)27(22,2)17-16-23(21)28(20,25)3/h4-6,8-9,15,20-23,25H,7,10-14,16-17H2,1-3H3/t20-,21-,22+,23+,25+,27+,28+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C
InChI: InChI=1S/C33H29NO8/c1-15-11-24(36)29-23(30(15)37)14-22-20(27(29)18-12-25(41-3)31(38)26(13-18)42-4)9-10-21-28(22)33(40)34(32(21)39)19-7-5-17(6-8-19)16(2)35/h5-9,11-13,21-22,27-28,38H,10,14H2,1-4H3/t21-,22+,27-,28-/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)N[C@@H]([C@H]([C@H]3OC)OC(=O)OC)C4=CC=CC=C4)C
InChI: InChI=1S/C21H23N3O4/c1-12-13(2)24-11-10-15-17(20(24)22-12)23-16(14-8-6-5-7-9-14)19(18(15)26-3)28-21(25)27-4/h5-11,16,18-19,23H,1-4H3/t16-,18+,19-/m1/s1
SMILES: CC1=CC=C(C=C1)NC2=C[C@@]([C@@H]([C@H]([C@@H]2C(=O)C)C3=CC=CC=C3F)C(=O)C)(C)O
InChI: InChI=1S/C24H26FNO3/c1-14-9-11-17(12-10-14)26-20-13-24(4,29)23(16(3)28)22(21(20)15(2)27)18-7-5-6-8-19(18)25/h5-13,21-23,26,29H,1-4H3/t21-,22+,23-,24-/m1/s1
SMILES: CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)C(=O)/C=C/C(=O)OC)C
InChI: InChI=1S/C15H21NO5S/c1-14(2)10-6-7-15(14)9-22(19,20)16(11(15)8-10)12(17)4-5-13(18)21-3/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,15-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)Br)O)C(=O)N(C5=O)C8=CC=C(C=C8)C(=O)C
InChI: InChI=1S/C41H34BrN3O6/c1-22-8-13-27(14-9-22)43-45-38(49)33-21-31-29(17-18-30-35(31)39(50)44(37(30)48)28-15-10-24(11-16-28)23(2)46)36(32-20-26(42)12-19-34(32)47)41(33,40(45)51)25-6-4-3-5-7-25/h3-17,19-20,30-31,33,35-36,43,47H,18,21H2,1-2H3/t30-,31+,33-,35-,36+,41+/m0/s1
SMILES: CC(=O)NC[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OS(=O)(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C18H25NO10S2/c1-11(20)19-9-13-16(28-30(2,21)22)17(29-31(3,23)24)15-14(26-13)10-25-18(27-15)12-7-5-4-6-8-12/h4-8,13-18H,9-10H2,1-3H3,(H,19,20)/t13-,14+,15+,16-,17-,18?/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=C(C=C(C=C3)OC)OC)C(=O)NC(C)C)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=C(C=C5)OC)C
InChI: InChI=1S/C43H56N2O7/c1-28(2)44-41(48)45(26-32-14-18-35(51-6)25-39(32)52-7)27-43(49)22-20-38-36-19-11-30(23-33(46)15-10-29(3)9-8-21-42(38,43)4)24-37(36)40(47)31-12-16-34(50-5)17-13-31/h9,11-14,16-19,24-25,28,33,38,46,49H,8,10,15,20-23,26-27H2,1-7H3,(H,44,48)/t33-,38-,42-,43+/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)CO1)NC(=O)[C@@H](CC2CCCCC2)S(=O)(=O)CC3=CC=CO3
InChI: InChI=1S/C19H27NO6S/c1-13-18(16(21)11-26-13)20-19(22)17(10-14-6-3-2-4-7-14)27(23,24)12-15-8-5-9-25-15/h5,8-9,13-14,17-18H,2-4,6-7,10-12H2,1H3,(H,20,22)/t13-,17+,18-/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H16N2O5/c1-8-2-5-11(7-12(8)18(22)23)17-15(19)13-9-3-4-10(6-9)14(13)16(20)21/h2-5,7,9-10,13-14H,6H2,1H3,(H,17,19)(H,20,21)/t9-,10+,13-,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H27NO4/c1-24-13-12-20-19-9-7-18(29-17-5-3-16(4-6-17)25(27)28)14-15(19)2-8-21(20)22(24)10-11-23(24)26/h3-7,9,14,20-23,26H,2,8,10-13H2,1H3/t20-,21+,22+,23+,24+/m1/s1
SMILES: CCOC(=O)C1[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C15H12F3NO4/c1-2-23-14(22)11-9-10(11)13(21)19(12(9)20)8-5-3-4-7(6-8)15(16,17)18/h3-6,9-11H,2H2,1H3/t9-,10+,11?
SMILES: C[C@H]1C[C@H]2[C@](O2)([C@H](C1(C)C)/C=C/[C@@H](C)OC(=O)C)C
InChI: InChI=1S/C16H26O3/c1-10-9-14-16(6,19-14)13(15(10,4)5)8-7-11(2)18-12(3)17/h7-8,10-11,13-14H,9H2,1-6H3/b8-7+/t10-,11+,13-,14-,16+/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@@H]6[C@H]([C@H]5C7=C(C=C(C=C7)OCC8=CC=CC=C8)O)C(=O)N(C6=O)C9=CC=C(C=C9)N1CCOCC1
InChI: InChI=1S/C47H46N4O8/c52-40-26-34(59-28-29-4-2-1-3-5-29)14-15-36(40)41-35-16-17-37-42(46(55)50(44(37)53)32-10-6-30(7-11-32)48-18-22-57-23-19-48)38(35)27-39-43(41)47(56)51(45(39)54)33-12-8-31(9-13-33)49-20-24-58-25-21-49/h1-16,26,37-39,41-43,52H,17-25,27-28H2/t37-,38+,39+,41+,42-,43+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](CC2=CC=CC=C2)NC(=O)C(F)(F)F)[C@@H](CC3=CC=CC=C3)NC(=O)C(F)(F)F)C
InChI: InChI=1S/C25H26F6N2O4/c1-23(2)36-19(17(32-21(34)24(26,27)28)13-15-9-5-3-6-10-15)20(37-23)18(33-22(35)25(29,30)31)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3,(H,32,34)(H,33,35)/t17-,18-,19+,20+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CN=CS5)C)O)F)C)F
InChI: InChI=1S/C26H28F3NO5S2/c1-13-6-15-16-8-18(28)17-7-14(31)4-5-23(17,2)25(16,29)20(32)9-24(15,3)26(13,22(34)36-11-27)35-21(33)19-10-30-12-37-19/h4-5,7,10,12-13,15-16,18,20,32H,6,8-9,11H2,1-3H3/t13-,15+,16+,18+,20+,23+,24+,25+,26+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O[P+](=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C38H43N4O15PSi/c1-38(2,3)59(4,5)57-31-29(24(20-43)52-33(31)42-19-17-27(45)40-37(42)49)56-58(50)51-21-25-28(54-34(46)22-12-8-6-9-13-22)30(55-35(47)23-14-10-7-11-15-23)32(53-25)41-18-16-26(44)39-36(41)48/h6-19,24-25,28-33,43H,20-21H2,1-5H3,(H-,39,40,44,45,48,49)/p+1/t24-,25-,28-,29-,30-,31-,32-,33-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)COS(=O)(=O)N4)F)C
InChI: InChI=1S/C23H34FNO6S/c1-13(26)17-4-5-18-16-10-20-23(24)11-15(31-14(2)27)6-9-22(23,12-30-32(28,29)25-20)19(16)7-8-21(17,18)3/h15-20,25H,4-12H2,1-3H3/t15-,16-,17+,18-,19-,20+,21+,22-,23-/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H21NO3/c23-20(18-13-7-8-14-19(18)21(24)25)22(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-12,18-19H,13-15H2,(H,24,25)/t18-,19-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@H]2[C@H](OC(=S)N2)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C18H14F13NOS/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)7-6-11-10(32-12(34)33-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,32,34)/t10-,11+/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)N[C@@H]([C@H]([C@@H]3OCCOC)OC(=O)CC4=C(N(C5=C4C=C(C=C5)OC)C(=O)C6=CC=C(C=C6)Cl)C)C7=CC=CC=C7)C
InChI: InChI=1S/C40H39ClN4O6/c1-23-24(2)44-18-17-30-36(39(44)42-23)43-35(26-9-7-6-8-10-26)38(37(30)50-20-19-48-4)51-34(46)22-31-25(3)45(33-16-15-29(49-5)21-32(31)33)40(47)27-11-13-28(41)14-12-27/h6-18,21,35,37-38,43H,19-20,22H2,1-5H3/t35-,37-,38-/m1/s1
SMILES: C1C[C@]2([C@@H](C[C@@H]1[NH2+]2)C(=O)O)C(=O)O.[Cl-]
InChI: InChI=1S/C8H11NO4.ClH/c10-6(11)5-3-4-1-2-8(5,9-4)7(12)13;/h4-5,9H,1-3H2,(H,10,11)(H,12,13);1H/t4-,5+,8+;/m1./s1
SMILES: CCCCCCCCNC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[C@@H](O1)OC4(O3)CCCCC4)OC5(O2)CCCCC5
InChI: InChI=1S/C26H43NO6/c1-2-3-4-5-6-13-18-27-23(28)21-19-20(31-25(30-19)14-9-7-10-15-25)22-24(29-21)33-26(32-22)16-11-8-12-17-26/h19-22,24H,2-18H2,1H3,(H,27,28)/t19-,20+,21+,22-,24+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2[C@H]3[C@@H]4[C@@H](CCC[C@@H]4O2)OC5=CC=CC=C35
InChI: InChI=1S/C21H23NO2/c1-14(15-8-3-2-4-9-15)22-21-16-10-5-6-11-17(16)23-18-12-7-13-19(24-22)20(18)21/h2-6,8-11,14,18-21H,7,12-13H2,1H3/t14-,18-,19+,20-,21-/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)NC56CC7CC(C5)CC(C7)C6)CSC8=CC=CC=N8
InChI: InChI=1S/C42H47N3O4S/c1-27-37(26-50-38-8-4-5-17-43-38)48-40(49-39(27)33-11-9-28(25-46)10-12-33)34-15-13-32(14-16-34)36-7-3-2-6-35(36)24-44-41(47)45-42-21-29-18-30(22-42)20-31(19-29)23-42/h2-17,27,29-31,37,39-40,46H,18-26H2,1H3,(H2,44,45,47)/t27-,29?,30?,31?,37+,39+,40+,42?/m0/s1
SMILES: CC1=CC=C(C=C1)C(=C)[C@]2([C@H](CCC2=O)C3=CC=CC=C3)C
InChI: InChI=1S/C21H22O/c1-15-9-11-17(12-10-15)16(2)21(3)19(13-14-20(21)22)18-7-5-4-6-8-18/h4-12,19H,2,13-14H2,1,3H3/t19-,21+/m1/s1
SMILES: C1CC(C(=O)[C@]23[C@@H]1CC(C2)C4(CC3)OCCO4)[Se](=O)C5=CC=CC=C5
InChI: InChI=1S/C20H24O4Se/c21-18-17(25(22)16-4-2-1-3-5-16)7-6-14-12-15-13-19(14,18)8-9-20(15)23-10-11-24-20/h1-5,14-15,17H,6-13H2/t14-,15?,17?,19-,25?/m0/s1
SMILES: C/C/1=C/C[C@@H]2[C@@H](CC(=O)[C@]2(CC3=C(C(=O)C[C@@H]13)C)C)C(C)C
InChI: InChI=1S/C20H28O2/c1-11(2)14-9-19(22)20(5)10-16-13(4)18(21)8-15(16)12(3)6-7-17(14)20/h6,11,14-15,17H,7-10H2,1-5H3/b12-6-/t14-,15-,17+,20-/m0/s1
SMILES: CC(=C)C1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C(=O)O
InChI: InChI=1S/C37H52O4/c1-23(2)25-15-20-37(32(39)40)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(41-31(38)24-11-9-8-10-12-24)33(3,4)27(34)16-19-36(28,35)7/h8-12,25-30H,1,13-22H2,2-7H3,(H,39,40)/t25?,26-,27+,28-,29+,30-,34+,35-,36-,37+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI: InChI=1S/C24H19N3O5/c1-15-10-12-17(13-11-15)25-23(28)20-21(16-6-3-2-4-7-16)26(32-22(20)24(25)29)18-8-5-9-19(14-18)27(30)31/h2-14,20-22H,1H3/t20-,21-,22+/m0/s1
SMILES: C1=CC=C(C=C1)NC(=O)CSC2=C([C@@H]([C@@H]([C@@](N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl)C#N
InChI: InChI=1S/C26H19ClF3N3O3S2/c27-18-10-5-4-9-16(18)21-17(13-31)24(38-14-20(34)32-15-7-2-1-3-8-15)33-25(36,26(28,29)30)22(21)23(35)19-11-6-12-37-19/h1-12,21-22,33,36H,14H2,(H,32,34)/t21-,22+,25-/m0/s1
SMILES: C1[C@@H]([C@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)CO)CO
InChI: InChI=1S/C11H15N5O3/c12-9-8-10(14-4-13-9)16(5-15-8)11-7(2-18)6(1-17)3-19-11/h4-7,11,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,11-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3F)F)C4=CC=CC=C4Br
InChI: InChI=1S/C18H14BrF2N/c19-15-7-2-1-4-13(15)17-12-6-3-5-11(12)14-8-10(20)9-16(21)18(14)22-17/h1-5,7-9,11-12,17,22H,6H2/t11-,12+,17+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)/C=N/NC(=O)[C@@H]2[C@H]3[C@@]2(CCCC3)C)OCC4=CC=CC=C4
InChI: InChI=1S/C25H30N2O3/c1-3-29-22-15-19(12-13-21(22)30-17-18-9-5-4-6-10-18)16-26-27-24(28)23-20-11-7-8-14-25(20,23)2/h4-6,9-10,12-13,15-16,20,23H,3,7-8,11,14,17H2,1-2H3,(H,27,28)/b26-16+/t20-,23-,25-/m0/s1