EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CCOC(C1)O[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C/[C@H](CCC4=CC=CC=C4)OC5CCCCO5)CC(O3)O
InChI: InChI=1S/C28H40O6/c29-26-18-23-22(24(19-25(23)33-26)34-28-11-5-7-17-31-28)15-14-21(32-27-10-4-6-16-30-27)13-12-20-8-2-1-3-9-20/h1-3,8-9,14-15,21-29H,4-7,10-13,16-19H2/b15-14+/t21-,22+,23+,24+,25-,26?,27?,28?/m0/s1
SMILES: C[C@@]12CCC(=CCC1[C@H](CC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)OC)C(=O)OC
InChI: InChI=1S/C22H34O10/c1-22-7-6-11(20(28)30-3)4-5-13(22)12(9-16(24)29-2)8-15(22)32-21-19(27)18(26)17(25)14(10-23)31-21/h4,12-15,17-19,21,23,25-27H,5-10H2,1-3H3/t12-,13?,14-,15?,17-,18+,19-,21+,22-/m1/s1
SMILES: CCC(=O)O[C@@H]1C2=C([C@H](C[C@](C2(C)C)([C@H]([C@H]3[C@](C1=O)([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)C)OC(=O)C5=CC(=CC=C5)F)O)OC(=O)[C@@H]([C@H](C=C(C)C)NC(=O)OC(C)(C)C)O)C
InChI: InChI=1S/C44H58FNO15/c1-12-30(49)58-33-31-22(4)27(57-38(53)32(50)26(16-21(2)3)46-39(54)61-40(6,7)8)19-44(55,41(31,9)10)36(59-37(52)24-14-13-15-25(45)17-24)34-42(11,35(33)51)28(48)18-29-43(34,20-56-29)60-23(5)47/h13-17,26-29,32-34,36,48,50,55H,12,18-20H2,1-11H3,(H,46,54)/t26-,27-,28-,29+,32+,33+,34-,36-,42+,43-,44+/m0/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C36H68O17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-47-19-22(20-48-34-31(45)26(40)23(39)21-49-34)50-36-33(30(44)28(42)25(18-38)52-36)53-35-32(46)29(43)27(41)24(17-37)51-35/h22-46H,2-21H2,1H3/t22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)CCO[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@H](O2)C=O)C
InChI: InChI=1S/C18H34O5Si/c1-17(2,3)24(6,7)20-11-10-15-14(22-18(4,5)23-15)9-8-13-16(12-19)21-13/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m1/s1
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O
InChI: InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)25-26(22(36)19-14(31)7-13(30)8-17(19)41-25)43-28-24(38)23(37)21(35)18(42-28)9-40-27(39)11-5-15(32)20(34)16(33)6-11/h1-8,18,21,23-24,28-35,37-38H,9H2/t18-,21-,23+,24-,28+/m0/s1
SMILES: CN1C(=O)C2=C(C1=O)C3=CN(C[C@H]([C@H](OCCN4C=C2C5=CC=CC=C54)[C@H]6COC7(O6)CCCCC7)F)C8=CC=CC=C83
InChI: InChI=1S/C34H34FN3O5/c1-36-32(39)29-23-17-37(26-11-5-3-9-21(23)26)15-16-41-31(28-20-42-34(43-28)13-7-2-8-14-34)25(35)19-38-18-24(30(29)33(36)40)22-10-4-6-12-27(22)38/h3-6,9-12,17-18,25,28,31H,2,7-8,13-16,19-20H2,1H3/t25-,28-,31+/m1/s1
SMILES: CC(=O)OC1=C[C@H]2[C@@](CCCC2(C)C)([C@@H]3[C@]1([C@@H](C[C@@H]3O)C4=CC=CC=C4)C)C
InChI: InChI=1S/C25H34O3/c1-16(26)28-21-15-20-23(2,3)12-9-13-24(20,4)22-19(27)14-18(25(21,22)5)17-10-7-6-8-11-17/h6-8,10-11,15,18-20,22,27H,9,12-14H2,1-5H3/t18-,19-,20+,22+,24+,25-/m0/s1
SMILES: COC1=CC2=C(C=C1)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6
InChI: InChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C20H17NO2/c22-19-17-13-8-9-14(10-13)18(17)20(23)21(19)11-15-6-3-5-12-4-1-2-7-16(12)15/h1-9,13-14,17-18H,10-11H2/t13-,14+,17-,18+
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)C(C)C
InChI: InChI=1S/C17H24N2O/c1-11(2)17(20)19-15-6-5-12(3)9-13(15)14-10-18(4)8-7-16(14)19/h5-6,9,11,14,16H,7-8,10H2,1-4H3/p+1/t14-,16-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=C(C=C7)OC(F)(F)F)C)C(=C3)C(=O)CC8=C(C=CC=C8Cl)F)O
InChI: InChI=1S/C39H40ClF4NO5/c1-34-13-10-24(46)19-36(34)16-17-38(27(20-36)30(47)18-26-28(40)4-3-5-29(26)41)31(34)11-14-35(2)32(38)12-15-37(35)22-45(33(48)50-37)21-23-6-8-25(9-7-23)49-39(42,43)44/h3-9,16-17,20,24,31-32,46H,10-15,18-19,21-22H2,1-2H3/t24-,31+,32+,34+,35-,36-,37+,38-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)Cl
InChI: InChI=1S/C19H23ClO6/c1-4-25-17(22)15-13(21)10-19(3,24)16(18(23)26-5-2)14(15)11-7-6-8-12(20)9-11/h6-9,14-16,24H,4-5,10H2,1-3H3/t14-,15-,16+,19-/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)[N+](=O)[O-]
InChI: InChI=1S/C20H21N3O7/c1-10-2-5-13(7-14(10)23(28)29)21-15(24)9-30-16(25)8-22-19(26)17-11-3-4-12(6-11)18(17)20(22)27/h2,5,7,11-12,17-18H,3-4,6,8-9H2,1H3,(H,21,24)/t11-,12+,17-,18-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CNC4=CC=CC=C4
InChI: InChI=1S/C16H18N2O2/c19-15-13-10-6-7-11(8-10)14(13)16(20)18(15)9-17-12-4-2-1-3-5-12/h1-5,10-11,13-14,17H,6-9H2/t10-,11+,13-,14+
SMILES: CSCC[C@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3CCCC3)[C@@]4([NH2+]1)C5=C(C=CC(=C5)Cl)NC4=O
InChI: InChI=1S/C21H24ClN3O3S/c1-29-9-8-15-16-17(19(27)25(18(16)26)12-4-2-3-5-12)21(24-15)13-10-11(22)6-7-14(13)23-20(21)28/h6-7,10,12,15-17,24H,2-5,8-9H2,1H3,(H,23,28)/p+1/t15-,16+,17+,21-/m0/s1
SMILES: C(C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H24O10/c14-3-6-9(17)10(18)7(15)4(22-6)1-2-5-8(16)11(19)12(20)13(21)23-5/h4-21H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11+,12-,13?/m1/s1
SMILES: C1C=C(C[C@@H]2[C@H]1C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43)Cl
InChI: InChI=1S/C18H17ClN2O2/c19-12-5-6-14-15(9-12)18(23)21(17(14)22)8-7-11-10-20-16-4-2-1-3-13(11)16/h1-5,10,14-15,20H,6-9H2/t14-,15+/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@@H]1C=C2)N3C(=O)NN=C3SCC4=CC=CC=C4
InChI: InChI=1S/C16H17N3OS/c20-15-17-18-16(21-10-11-4-2-1-3-5-11)19(15)14-9-12-6-7-13(14)8-12/h1-7,12-14H,8-10H2,(H,17,20)/t12-,13-,14-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@H](C1)C3=C(NC(=O)NC3=O)OC2(C)C
InChI: InChI=1S/C14H20N2O3/c1-7-4-5-9-8(6-7)10-11(17)15-13(18)16-12(10)19-14(9,2)3/h7-9H,4-6H2,1-3H3,(H2,15,16,17,18)/t7-,8+,9-/m1/s1
SMILES: CC/C=C\C[C@H]1[C@@H](CCC1=O)CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C21H27NO4/c1-2-3-5-10-17-16(11-12-19(17)23)14-20(24)22-18(21(25)26)13-15-8-6-4-7-9-15/h3-9,16-18H,2,10-14H2,1H3,(H,22,24)(H,25,26)/b5-3-/t16-,17-,18-/m0/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)CSC4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C24H27N5OS/c30-24(25-19-7-3-1-4-8-19)23-16-28-12-11-18(23)13-21(28)15-29-14-20(26-27-29)17-31-22-9-5-2-6-10-22/h1-10,14,18,21,23H,11-13,15-17H2,(H,25,30)/t18-,21-,23+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)Cl)C)Cl
InChI: InChI=1S/C30H28Cl2N2O6/c1-3-34-25(36)20-12-11-18-21(23(20)26(34)37)14-29(31)27(38)33(2)28(39)30(29,32)24(18)19-10-9-17(13-22(19)35)40-15-16-7-5-4-6-8-16/h4-11,13,20-21,23-24,35H,3,12,14-15H2,1-2H3/t20-,21+,23-,24+,29+,30-/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H22ClN3O7S/c1-4-36-26(33)19-13(2)14(3)38-25(19)28-23(31)20-21(15-5-9-18(10-6-15)30(34)35)29(37-22(20)24(28)32)17-11-7-16(27)8-12-17/h5-12,20-22H,4H2,1-3H3/t20-,21-,22+/m1/s1
SMILES: CC1=CN=C(N(C1=O)COCC2=CC=CC=C2)O[C@@H]3C[C@@H]([C@H](C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C33H36N2O5/c1-25-19-34-33(35(32(25)36)24-38-21-27-13-7-3-8-14-27)40-30-17-29(23-37-20-26-11-5-2-6-12-26)31(18-30)39-22-28-15-9-4-10-16-28/h2-16,19,29-31H,17-18,20-24H2,1H3/t29-,30-,31+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=NN(C(=C4)C(=O)C5=CC=CC=C5)C)O
InChI: InChI=1S/C27H24N4O7/c1-15(32)23-21-12-19(20-13-22(29(2)28-20)25(33)17-6-4-3-5-7-17)24(30(21)26(23)34)27(35)38-14-16-8-10-18(11-9-16)31(36)37/h3-11,13,15,21,23,32H,12,14H2,1-2H3/t15-,21-,23-/m1/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O[C@H]3C[C@@H]([C@H]([C@@H](O3)C)OC(=O)C)Cl)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)O)O
InChI: InChI=1S/C28H29ClO11/c1-4-28(37)9-15(32)18-21(27(28)40-16-8-13(29)26(10(2)38-16)39-11(3)30)25(36)19-20(24(18)35)23(34)17-12(22(19)33)6-5-7-14(17)31/h5-7,10,13,15-16,26-27,31-32,35-37H,4,8-9H2,1-3H3/t10-,13-,15-,16-,26-,27+,28+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)CCCC(C5=CC(=C(C=C5)O)C(=O)O)C6=CC(=C(C=C6)O)C(=O)O)C)C
InChI: InChI=1S/C45H64O6/c1-27(2)8-6-9-28(3)37-16-17-38-34-15-14-32-24-29(20-22-44(32,4)39(34)21-23-45(37,38)5)10-7-11-33(30-12-18-40(46)35(25-30)42(48)49)31-13-19-41(47)36(26-31)43(50)51/h12-13,18-19,25-29,32-34,37-39,46-47H,6-11,14-17,20-24H2,1-5H3,(H,48,49)(H,50,51)/t28-,29+,32+,34+,37-,38+,39+,44+,45-/m1/s1
SMILES: C[C@@]12CCCC(=C)[C@@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+](C)C4CC[NH+](CC4)C
InChI: InChI=1S/C22H36N2O2/c1-15-6-5-9-22(2)13-20-17(12-19(15)22)18(21(25)26-20)14-24(4)16-7-10-23(3)11-8-16/h16-20H,1,5-14H2,2-4H3/p+2/t17-,18-,19-,20+,22-/m0/s1
SMILES: C1CCC(C1)(C2=CN(N=N2)C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCC5=CC=C(C=C5)F)O
InChI: InChI=1S/C23H30FN5O2/c24-18-5-3-16(4-6-18)12-25-22(30)20-14-28-10-7-17(20)11-19(28)13-29-15-21(26-27-29)23(31)8-1-2-9-23/h3-6,15,17,19-20,31H,1-2,7-14H2,(H,25,30)/t17-,19+,20-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C(C)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C32H34N2O7/c1-20-19-34(31(37)33-30(20)36)28-18-27(35)29(40-28)21(2)41-32(22-8-6-5-7-9-22,23-10-14-25(38-3)15-11-23)24-12-16-26(39-4)17-13-24/h5-17,19,21,27-29,35H,18H2,1-4H3,(H,33,36,37)/t21?,27-,28+,29+/m0/s1
SMILES: COC(=O)[C@@H]1C[C@H]([C@@H](N1C(=O)CC=C)CC=C)CCCC2=CC=CC=C2
InChI: InChI=1S/C22H29NO3/c1-4-10-19-18(15-9-14-17-12-7-6-8-13-17)16-20(22(25)26-3)23(19)21(24)11-5-2/h4-8,12-13,18-20H,1-2,9-11,14-16H2,3H3/t18-,19+,20+/m1/s1
SMILES: CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C15H13F2NO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-5-3-9(16)7-12(13)17/h2-3,5,7,10-11H,4,6H2,1H3/t10-,11-/m0/s1
SMILES: CCOCCCN[C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C22H33IN2O7/c1-3-31-8-4-5-24-17-11-15(22(29)25-6-7-26)12-18(20(17)28)32-21-16(23)9-14(13-27)10-19(21)30-2/h9-10,12,17-18,20,24,26-28H,3-8,11,13H2,1-2H3,(H,25,29)/t17-,18+,20+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)C(C1)(C)C)C
InChI: InChI=1S/C22H38O4/c1-8-20(5,24)11-9-18-21(6)14-16(26-15(2)23)13-19(3,4)17(21)10-12-22(18,7)25/h8,16-18,24-25H,1,9-14H2,2-7H3/t16-,17-,18+,20-,21-,22+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C46H44O5/c1-7-19-36(20-8-1)31-47-42-34-48-43(45(50-33-38-23-11-3-12-24-38)44(42)49-32-37-21-9-2-10-22-37)35-51-46(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-45H,31-35H2/t42-,43+,44+,45+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)OC(=O)C(F)(F)F)C[S@@](=O)[C@]34[C@@H]5C[C@H]([C@H]3[C@@H]6C7=CC(=C(C=C7CCN6C4=O)OC)OC)C=C5)C
InChI: InChI=1S/C31H36F3NO6S/c1-28(2)18-7-9-29(28,23(13-18)41-27(37)31(32,33)34)15-42(38)30-19-6-5-17(11-19)24(30)25-20-14-22(40-4)21(39-3)12-16(20)8-10-35(25)26(30)36/h5-6,12,14,17-19,23-25H,7-11,13,15H2,1-4H3/t17-,18-,19+,23-,24+,25+,29-,30-,42-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N(CC2=CN=CC=C2)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H25N3O2S/c1-15-5-2-3-7-18(15)23-21(27)24(13-16-6-4-10-22-12-16)17-8-9-19-20(11-17)26-14-25-19/h4,6,8-12,15,18H,2-3,5,7,13-14H2,1H3,(H,23,27)/t15-,18-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CC(=C(C=C2)OCC=C)OC
InChI: InChI=1S/C22H31N3O3S/c1-5-13-28-19-11-9-17(14-20(19)27-4)10-12-21(26)24-25-22(29)23-18-8-6-7-15(2)16(18)3/h5,9-12,14-16,18H,1,6-8,13H2,2-4H3,(H,24,26)(H2,23,25,29)/b12-10+/t15-,16+,18+/m0/s1
SMILES: C1CCC[NH+](CC1)C2CC[NH+](CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C19H32N2/c1-2-4-10-21(9-3-1)19-7-11-20(12-8-19)15-18-14-16-5-6-17(18)13-16/h5-6,16-19H,1-4,7-15H2/p+2/t16-,17+,18-/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@@H]1[C@@H]2CCC[C@@H](C[C@]1(OC2=O)CO[Si](C)(C)C(C)(C)C)I
InChI: InChI=1S/C22H39IO5Si/c1-20(2,3)27-18(24)12-17-16-11-9-10-15(23)13-22(17,28-19(16)25)14-26-29(7,8)21(4,5)6/h15-17H,9-14H2,1-8H3/t15-,16-,17+,22-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c1-15-10-12-18(13-11-15)26-23(28)20-21(16-6-5-7-17(25)14-16)27(30-22(20)24(26)29)19-8-3-2-4-9-19/h2-14,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: CC[C@]1(OC(=O)[C@@]2(O1)[C@H](C[C@@H]3[C@@]2(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)C)N6C=CN=C6
InChI: InChI=1S/C27H33FN2O5/c1-5-25(30-11-10-29-15-30)34-22(33)27(35-25)16(2)12-20-19-7-6-17-13-18(31)8-9-23(17,3)26(19,28)21(32)14-24(20,27)4/h8-11,13,15-16,19-21,32H,5-7,12,14H2,1-4H3/t16-,19-,20-,21-,23-,24-,25+,26-,27-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H22N2O5/c1-26-18-9-12(10-19(27-2)21(18)28-3)20-15-6-4-5-14(15)16-11-13(23(24)25)7-8-17(16)22-20/h4-5,7-11,14-15,20,22H,6H2,1-3H3/t14-,15+,20+/m0/s1
SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI: InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12+,13-/m1/s1
SMILES: C[C@H]1[C@]2(CC[C@]3(O2)CC(=O)OC3)[C@]4(CCCC([C@@H]4CC15OCCO5)(C)C)C
InChI: InChI=1S/C22H34O5/c1-15-21(9-8-20(27-21)13-17(23)24-14-20)19(4)7-5-6-18(2,3)16(19)12-22(15)25-10-11-26-22/h15-16H,5-14H2,1-4H3/t15-,16-,19-,20-,21+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)NC(=O)C(F)(F)F)O)O)O
InChI: InChI=1S/C8H13F3NO9P/c9-8(10,11)7(16)12-3-5(15)4(14)2(1-13)20-6(3)21-22(17,18)19/h2-6,13-15H,1H2,(H,12,16)(H2,17,18,19)/t2-,3-,4+,5-,6-/m1/s1
SMILES: C[C@H](CCC=C(C)C)C1=C2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@@]2(CC1)C)C)(C)C)OC(=O)C)C
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h11,22,26-28H,10,12-20H2,1-9H3/t22-,26+,27-,28+,30+,31-,32-/m1/s1
SMILES: C[C@]1([C@H](C[C@H](C(O1)(C)C)C(=O)ON2C=CC=CC2=S)Br)C3=CC=CC=C3
InChI: InChI=1S/C20H22BrNO3S/c1-19(2)15(18(23)24-22-12-8-7-11-17(22)26)13-16(21)20(3,25-19)14-9-5-4-6-10-14/h4-12,15-16H,13H2,1-3H3/t15-,16-,20+/m0/s1
SMILES: C1CO[C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C18H19O6PS/c19-25(14-7-3-1-4-8-14,15-9-5-2-6-10-15)13-17-18-16(11-12-22-17)23-26(20,21)24-18/h1-10,16-18H,11-13H2/t16-,17+,18-/m1/s1
SMILES: C[C@@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCCC2=C)C
InChI: InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19-,20-,21-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)S(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H18N2O5S/c1-10-8-18(16(21)17-15(10)20)14-7-13(12(9-19)23-14)24(22)11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,17,20,21)/t12-,13+,14-,24?/m0/s1
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C)NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O
InChI: InChI=1S/C30H36N2O6/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29(35)36)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30(37)38/h11-16,21-24H,3-10H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)/t21-,22-,23+,24+/m1/s1
SMILES: CCCCCNC(=O)[C@@H]1[C@H]([C@H](CN1)O)O.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C10H20N2O3.C2HF3O2/c1-2-3-4-5-11-10(15)8-9(14)7(13)6-12-8;3-2(4,5)1(6)7/h7-9,12-14H,2-6H2,1H3,(H,11,15);(H,6,7)/t7-,8-,9-;/m0./s1
SMILES: COC1=CC=C(C=C1)CCN2[C@@H]([C@@H](C2=O)OC3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H22ClNO5/c1-29-19-7-2-16(3-8-19)12-13-27-23(17-4-11-21-22(14-17)31-15-30-21)24(25(27)28)32-20-9-5-18(26)6-10-20/h2-11,14,23-24H,12-13,15H2,1H3/t23-,24+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)C1)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H16ClNO7S/c1-10(20)25-8-12-9-27(23,24)16-13(18)15(21)19(16)14(12)17(22)26-7-11-5-3-2-4-6-11/h2-6,13,16H,7-9H2,1H3/t13-,16+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)C3=NN(C=C3O)C4=CC=CC=C4
InChI: InChI=1S/C19H18N4O3/c1-12-9-15(12)17-8-7-14(26-17)10-20-21-19(25)18-16(24)11-23(22-18)13-5-3-2-4-6-13/h2-8,10-12,15,24H,9H2,1H3,(H,21,25)/b20-10-/t12-,15+/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C27H20N4O6/c1-37-20-12-11-17(31(35)36)13-19(20)29-26(33)21-22(27(29)34)24(25(32)15-7-3-2-4-8-15)30-23(21)18-10-6-5-9-16(18)14-28-30/h2-14,21-24H,1H3/t21-,22-,23-,24+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)/C#N
InChI: InChI=1S/C23H24N2O5/c1-15-6-3-4-7-18(15)25-22(26)17(14-24)12-16-9-10-19(21(13-16)28-2)30-23(27)20-8-5-11-29-20/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,25,26)/b17-12+/t15-,18-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OC(C(Cl)(Cl)Cl)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14?,15?,16?,17-,18?,19-/m0/s1
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@H](C1)CC3=C(C2=O)C(=C4C(=CC(=C(C4=C3OC)OC)[Si](C)(C)C)OC)OC)C
InChI: InChI=1S/C28H38O7Si/c1-15(29)35-28(2)11-10-17-16(14-28)12-18-21(24(17)30)27(34-6)22-19(31-3)13-20(36(7,8)9)26(33-5)23(22)25(18)32-4/h13,16-17H,10-12,14H2,1-9H3/t16-,17-,28+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)(F)F)C
InChI: InChI=1S/C27H46F2O/c1-17(2)7-6-8-18(3)21-9-10-22-24-23(12-14-26(21,22)5)25(4)13-11-20(30)15-19(25)16-27(24,28)29/h17-24,30H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,25+,26-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](C([C@H](O2)N3C=NC4=C3N=C(N=C4Cl)N)(F)F)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H18ClF2N5O5/c25-18-16-19(31-23(28)30-18)32(12-29-16)22-24(26,27)17(37-21(34)14-9-5-2-6-10-14)15(36-22)11-35-20(33)13-7-3-1-4-8-13/h1-10,12,15,17,22H,11H2,(H2,28,30,31)/t15-,17-,22-/m0/s1
SMILES: CC[C@H]1CC(=O)O[C@@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C23H30O3Si/c1-5-18-16-22(24)26-21(18)17-25-27(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3/t18-,21+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](CN2CCN(CC2)C3=CC=C(C=C3)OC)O)C(C)C
InChI: InChI=1S/C24H40N2O3/c1-18(2)23-10-5-19(3)15-24(23)29-17-21(27)16-25-11-13-26(14-12-25)20-6-8-22(28-4)9-7-20/h6-9,18-19,21,23-24,27H,5,10-17H2,1-4H3/t19-,21+,23-,24+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C55H47N5O8S/c1-34(36-17-5-2-6-18-36)56-54(66)59-43-28-27-35(16-13-14-29-61)32-41(43)55(52(59)65)45(50(63)58-53-57-42-25-11-12-26-44(42)69-53)47-51(64)68-48(38-21-9-4-10-22-38)46(37-19-7-3-8-20-37)60(47)49(55)39-23-15-24-40(33-39)67-31-30-62/h2-12,15,17-28,32-34,45-49,61-62H,14,29-31H2,1H3,(H,56,66)(H,57,58,63)/t34-,45-,46-,47-,48+,49+,55-/m1/s1
SMILES: CC1(N([C@H](CO1)C(=O)C[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C46H55NO9/c1-45(2,3)56-44(49)47-37(31-54-46(47,4)5)38(48)26-39-41(51-28-34-20-12-7-13-21-34)43(53-30-36-24-16-9-17-25-36)42(52-29-35-22-14-8-15-23-35)40(55-39)32-50-27-33-18-10-6-11-19-33/h6-25,37,39-43H,26-32H2,1-5H3/t37-,39-,40-,41+,42+,43-/m1/s1
SMILES: C[C@@]1(CC[C@@]2(CC[C@@]3(C(=C[C@H]([C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)C=O)O)O)C)C)O)[C@H]2C1)C)C(=O)O)C(=O)OC
InChI: InChI=1S/C31H46O8/c1-26(25(38)39-6)9-11-31(24(36)37)12-10-29(4)17(18(31)14-26)13-19(33)22-27(2)15-20(34)23(35)28(3,16-32)21(27)7-8-30(22,29)5/h13,16,18-23,33-35H,7-12,14-15H2,1-6H3,(H,36,37)/t18-,19-,20+,21-,22-,23+,26+,27+,28+,29-,30-,31+/m1/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C18H18N2O4/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-20-17(23)14-7-2-3-8-15(14)18(20)24/h2-6,9,14-15H,7-8,10H2,1H3,(H,19,22)/t14-,15-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=C(C=C3)F)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H18FN3O3/c1-11-16-17(21(24-11)14-4-2-3-5-15(14)23-20(21)28)19(27)25(18(16)26)10-12-6-8-13(22)9-7-12/h2-9,11,16-17,24H,10H2,1H3,(H,23,28)/p+1/t11-,16+,17+,21-/m0/s1
SMILES: C[C@H]1CN(CC[C@@]12C=CC3=CC=CC=C23)C4CCC(C4)(C)C(=O)NCC5=CC(=CC=C5)Cl
InChI: InChI=1S/C28H33ClN2O/c1-20-19-31(15-14-28(20)13-10-22-7-3-4-9-25(22)28)24-11-12-27(2,17-24)26(32)30-18-21-6-5-8-23(29)16-21/h3-10,13,16,20,24H,11-12,14-15,17-19H2,1-2H3,(H,30,32)/t20-,24?,27?,28-/m0/s1
SMILES: CN([C@@H]1[C@H](CCC2=C1C=C(C=C2)N(CC(=O)O)CC(=O)O)N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C27H31Cl2N3O5/c1-30(24(33)13-17-4-8-21(28)22(29)12-17)27-20-14-19(32(15-25(34)35)16-26(36)37)7-5-18(20)6-9-23(27)31-10-2-3-11-31/h4-5,7-8,12,14,23,27H,2-3,6,9-11,13,15-16H2,1H3,(H,34,35)(H,36,37)/t23-,27-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC#N)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H16N4O7S/c1-6(18)21-4-9-11(22-7(2)19)12(23-8(3)20)10(16-17-15)13(24-9)25-5-14/h9-13H,4H2,1-3H3/t9-,10-,11-,12-,13+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)Br
InChI: InChI=1S/C16H17BrN2O3/c17-10-4-3-5-11(8-10)18-14(20)9-19-15(21)12-6-1-2-7-13(12)16(19)22/h3-5,8,12-13H,1-2,6-7,9H2,(H,18,20)/t12-,13-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NCCC2=CC=C(C=C2)F
InChI: InChI=1S/C19H23FN2O6/c1-12-8-17(23)15(16(12)10-22(26)27)9-19(25)28-11-18(24)21-7-6-13-2-4-14(20)5-3-13/h2-5,12,15-16H,6-11H2,1H3,(H,21,24)/t12-,15-,16-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI: InChI=1S/C10H14N2O6/c1-17-4-5-7(14)8(15)9(18-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,11,13,16)/t5-,7-,8-,9-/m1/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(=C(C=C8)O)F)C(=O)N(C7=O)CC9=CC=CC=C9)C
InChI: InChI=1S/C41H34ClFN4O5S/c1-20-26-16-23(42)10-14-32(26)53-36(20)30-18-33(45(3)44-30)47-38(50)28-17-27-24(35(41(28,2)40(47)52)22-9-13-31(48)29(43)15-22)11-12-25-34(27)39(51)46(37(25)49)19-21-7-5-4-6-8-21/h4-11,13-16,18,25,27-28,34-35,48H,12,17,19H2,1-3H3/t25-,27+,28-,34-,35-,41+/m0/s1
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C20H18O9/c21-7-12-16(24)18(26)19(27)20(29-12)28-11-6-2-4-9-14(11)17(25)13-8(15(9)23)3-1-5-10(13)22/h1-6,12,16,18-22,24,26-27H,7H2/t12-,16-,18+,19+,20-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(OC1=O)(C)C)[C@@H](C)C(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H22O5/c1-5-22-16(20)13-14(18(3,4)23-17(13)21)11(2)15(19)12-9-7-6-8-10-12/h6-11,13-14H,5H2,1-4H3/t11-,13+,14-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1/C(=N/NC3=NC(=CS3)C4=CC=CC=C4)/C2
InChI: InChI=1S/C16H15N3S/c1-2-5-11(6-3-1)15-10-20-16(17-15)19-18-14-9-12-7-4-8-13(12)14/h1-7,10,12-13H,8-9H2,(H,17,19)/b18-14+/t12-,13-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3
InChI: InChI=1S/C18H21NO4/c1-12-4-2-3-5-15(12)19-17(20)11-22-14-8-6-13-7-9-18(21)23-16(13)10-14/h6-10,12,15H,2-5,11H2,1H3,(H,19,20)/t12-,15-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C[C@H]([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI: InChI=1S/C26H20FNO2/c27-19-11-13-20(14-12-19)28-25(29)23-21(17-7-3-1-4-8-17)15-16-22(24(23)26(28)30)18-9-5-2-6-10-18/h1-16,21-24H/t21-,22-,23-,24+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC4=C3C(=CC(=C4OC)OC)C(=O)OC)C)(C)C
InChI: InChI=1S/C25H36O4/c1-23(2)10-8-11-24(3)18(23)9-12-25(4)19(24)14-15-20(25)16(22(26)29-7)13-17(27-5)21(15)28-6/h13,18-19H,8-12,14H2,1-7H3/t18-,19+,24-,25+/m0/s1
SMILES: CC1([C@H]2CC[C@@H]([C@@H]1C2)C[Si](C)(C)[C]3[CH][CH][C]4[C]3C=CC=C4)C
InChI: InChI=1S/C21H29Si/c1-21(2)17-11-9-16(19(21)13-17)14-22(3,4)20-12-10-15-7-5-6-8-18(15)20/h5-8,10,12,16-17,19H,9,11,13-14H2,1-4H3/t16-,17+,19+/m1/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H18N2O6/c1-13-4-2-7-18-19(13)21(26)23(20(18)25)15-8-10-17(11-9-15)30-22(27)14-5-3-6-16(12-14)24(28)29/h2-6,8-13,18-19H,7H2,1H3/t13-,18-,19-/m1/s1
SMILES: C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(C[C@H]([C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)C(=O)O)O)O)C)O)C)(C)C)CO
InChI: InChI=1S/C30H48O6/c1-25(2)9-11-30(16-31)12-10-27(4)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)29(6,24(35)36)22(26)19(32)15-28(21,27)5/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20-,21+,22+,23-,26+,27+,28+,29-,30+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2[C@H](C4=CC[C@@H]([C@@H]34)O)O
InChI: InChI=1S/C13H18O2/c14-9-4-3-8-12(9)10-6-1-2-7(5-6)11(10)13(8)15/h3,6-7,9-15H,1-2,4-5H2/t6-,7+,9+,10+,11-,12+,13+/m1/s1
SMILES: CC(=C)C[C@@H]1[C@H]2CO[C@H](O2)C(C1OCC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C17H21N3O3/c1-11(2)8-13-14-10-22-17(23-14)15(19-20-18)16(13)21-9-12-6-4-3-5-7-12/h3-7,13-17H,1,8-10H2,2H3/t13-,14-,15?,16?,17-/m1/s1