EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)C(C)(C)C1=CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CC[C@@H]4OCC5=CC=CC=C5)C)C
InChI: InChI=1S/C32H46O3/c1-6-34-29(33)30(2,3)23-16-18-31(4)24(20-23)12-13-25-26-14-15-28(32(26,5)19-17-27(25)31)35-21-22-10-8-7-9-11-22/h7-11,16,24-28H,6,12-15,17-21H2,1-5H3/t24-,25-,26+,27+,28-,31-,32-/m0/s1
SMILES: CN([C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC)C3=NC=CC(=N3)C4CCCC4
InChI: InChI=1S/C17H25N3O3/c1-20(13-9-22-16-14(21-2)10-23-15(13)16)17-18-8-7-12(19-17)11-5-3-4-6-11/h7-8,11,13-16H,3-6,9-10H2,1-2H3/t13-,14+,15+,16+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H30N2O3/c1-14-7-5-6-8-16(14)20-19(22)13-21(2)12-15-9-10-17(23-3)18(11-15)24-4/h9-11,14,16H,5-8,12-13H2,1-4H3,(H,20,22)/p+1/t14-,16+/m0/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]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)OC(=O)C
InChI: InChI=1S/C29H32O15/c1-10-25(41-11(2)31)23(38)24(39)29(40-10)44-28-22(37)21(36)18(9-30)43-27(28)20-15(34)7-14(33)19-16(35)8-17(42-26(19)20)12-3-5-13(32)6-4-12/h3-8,10,18,21-25,27-30,32-34,36-39H,9H2,1-2H3/t10-,18-,21-,22+,23-,24+,25+,27-,28-,29-/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C3([C@@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7F
InChI: InChI=1S/C35H24FNO5/c1-20(38)42-23-17-14-22(15-18-23)32(39)31-30(26-11-5-6-12-27(26)36)35(33(40)24-9-3-4-10-25(24)34(35)41)29-19-16-21-8-2-7-13-28(21)37(29)31/h2-19,29-31H,1H3/t29-,30-,31+/m1/s1
SMILES: C1CC2=CC=CC=C2C(=O)[C@]3(C1)[C@H](O3)C4=CC=C(C=C4)Br
InChI: InChI=1S/C18H15BrO2/c19-14-9-7-13(8-10-14)17-18(21-17)11-3-5-12-4-1-2-6-15(12)16(18)20/h1-2,4,6-10,17H,3,5,11H2/t17-,18-/m1/s1
SMILES: CC(CCC=C(C)C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C=C(C2)C(COCC(=O)OC)COS(=O)(=O)C)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C37H60O10S/c1-26(2)11-10-12-27(3)19-31(46-36-13-6-8-17-43-36)15-16-32-33-21-28(20-29(33)22-34(32)47-37-14-7-9-18-44-37)30(24-45-48(5,39)40)23-42-25-35(38)41-4/h11,15-16,21,27,29-34,36-37H,6-10,12-14,17-20,22-25H2,1-5H3/b16-15+/t27?,29-,30?,31+,32+,33-,34+,36?,37?/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3S(=O)(=O)N)N)O)O
InChI: InChI=1S/C10H14N6O5S/c1-3-5(17)6(18)9(21-3)16-2-13-4-7(16)14-10(11)15-8(4)22(12,19)20/h2-3,5-6,9,17-18H,1H3,(H2,11,14,15)(H2,12,19,20)/t3-,5-,6-,9-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C36H29Cl2N5O6/c1-40-34(47)41-16-15-24-29(43(41)35(40)48)18-26-32(45)42(39-28-14-10-21(37)17-27(28)38)33(46)36(26,20-8-11-22(49-2)12-9-20)30(24)25-13-7-19-5-3-4-6-23(19)31(25)44/h3-15,17,26,29-30,39,44H,16,18H2,1-2H3/t26-,29+,30+,36+/m0/s1
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]3(C(=O)O[C@H]4[C@]3(C2)[C@H]([C@@H](C4)C(C)(C)C)C(=O)C(=O)NC)O)O
InChI: InChI=1S/C20H27NO8/c1-8-15(24)28-11-7-18-10(29-16(25)20(18,27)19(8,11)26)6-9(17(2,3)4)12(18)13(22)14(23)21-5/h8-12,26-27H,6-7H2,1-5H3,(H,21,23)/t8-,9-,10-,11+,12-,18-,19-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C\C3=CC=CC=C3)/C(=O)N2CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H32N2O10S/c1-18(34)39-17-25-26(40-19(2)35)27(41-20(3)36)28(42-21(4)37)30(43-25)44-31-32-24(15-22-11-7-5-8-12-22)29(38)33(31)16-23-13-9-6-10-14-23/h5-15,25-28,30H,16-17H2,1-4H3/b24-15-/t25-,26-,27+,28-,30+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)OC(=O)C)O)O)C)C=C(C)C)C
InChI: InChI=1S/C28H40O7/c1-12(2)10-18-11-14(4)19-9-8-13(3)20-22(19)21(18)15(5)26(23(20)30)35-28-25(32)24(31)27(16(6)33-28)34-17(7)29/h10,13-14,16,18-19,24-25,27-28,30-32H,8-9,11H2,1-7H3/t13-,14-,16-,18+,19+,24-,25-,27+,28-/m0/s1
SMILES: CCOC(=O)C1=NO[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C15H14N2O6/c1-3-22-15(20)11-10-12(23-16-11)14(19)17(13(10)18)8-4-6-9(21-2)7-5-8/h4-7,10,12H,3H2,1-2H3/t10-,12-/m1/s1
SMILES: C1[C@@H](C(=O)N([C@H]1CC2=CC=CC=C2)C[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)CC6=CC(=CC=C6)C(=O)N
InChI: InChI=1S/C40H43N3O5/c41-38(46)30-16-9-14-28(19-30)20-32-22-33(21-27-12-5-2-6-13-27)43(40(32)48)25-34(44)23-31(18-26-10-3-1-4-11-26)39(47)42-37-35-17-8-7-15-29(35)24-36(37)45/h1-17,19,31-34,36-37,44-45H,18,20-25H2,(H2,41,46)(H,42,47)/t31-,32+,33+,34+,36-,37+/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)[125I]
InChI: InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1/i11-2
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC3=CC=CC=C3O2)C(C)C
InChI: InChI=1S/C19H25NO3S/c1-12(2)14-9-8-13(3)10-17(14)22-18(21)11-24-19-20-15-6-4-5-7-16(15)23-19/h4-7,12-14,17H,8-11H2,1-3H3/t13-,14-,17+/m1/s1
SMILES: CC1=C(C[C@@]([C@H](C1)C2=CC=CS2)(C(=O)OC)NC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C21H23NO3S/c1-14-12-17(18-10-7-11-26-18)21(13-15(14)2,20(24)25-3)22-19(23)16-8-5-4-6-9-16/h4-11,17H,12-13H2,1-3H3,(H,22,23)/t17-,21-/m1/s1
SMILES: C[C@@]1([C@H](O1)C2=CC=C(C=C2)OC)/C=C(\C#N)/C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H16ClNO2/c1-19(11-15(12-21)13-3-7-16(20)8-4-13)18(23-19)14-5-9-17(22-2)10-6-14/h3-11,18H,1-2H3/b15-11+/t18-,19+/m1/s1
SMILES: CC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C18H25N3O6/c1-4-10(2)19-18(26)20-14(22)9-27-17(25)11(3)21-15(23)12-7-5-6-8-13(12)16(21)24/h5-6,10-13H,4,7-9H2,1-3H3,(H2,19,20,22,26)/t10-,11-,12-,13-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)O)OC(=O)N8CC8)C)OC(=O)C
InChI: InChI=1S/C48H52N2O14/c1-26-31(62-43(56)36(52)35(28-15-9-6-10-16-28)49-41(54)29-17-11-7-12-18-29)24-48(59)40(64-42(55)30-19-13-8-14-20-30)38-46(5,39(53)37(61-27(2)51)34(26)45(48,3)4)32(63-44(57)50-21-22-50)23-33-47(38,58)25-60-33/h6-20,31-33,35-38,40,52,58-59H,21-25H2,1-5H3,(H,49,54)/t31-,32-,33+,35-,36+,37+,38-,40-,46+,47-,48+/m0/s1
SMILES: C/C(=C\CS(=O)(=O)C1C=CC=CC=C1)/CC[C@@H]2[C@@](CCCC2(C)C)(C)O[Si](C)(C)C
InChI: InChI=1S/C25H42O3SSi/c1-21(17-20-29(26,27)22-13-10-8-9-11-14-22)15-16-23-24(2,3)18-12-19-25(23,4)28-30(5,6)7/h8-11,13-14,17,22-23H,12,15-16,18-20H2,1-7H3/b21-17+/t23-,25-/m0/s1
SMILES: CC(C)CSC[C@H]1[C@H]2C[C@@]3([C@](CC2=O)(O[C@H]1O3)C)O
InChI: InChI=1S/C14H22O4S/c1-8(2)6-19-7-10-9-4-14(16)13(3,5-11(9)15)17-12(10)18-14/h8-10,12,16H,4-7H2,1-3H3/t9-,10+,12+,13+,14-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC=C
InChI: InChI=1S/C45H45N3O10/c1-5-25-57-40(50)34-37-42(52)58-38(29-18-10-7-11-19-29)36(28-16-8-6-9-17-28)48(37)39(30-20-12-15-23-33(30)56-26-24-49)45(34)31-21-13-14-22-32(31)47(43(45)53)44(54)46-35(27(2)3)41(51)55-4/h5-23,27,34-39,49H,1,24-26H2,2-4H3,(H,46,54)/t34-,35+,36-,37-,38+,39+,45-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C
InChI: InChI=1S/C23H22N2O3/c1-14-6-5-9-20(15(14)2)24-21(26)16-10-12-17(13-11-16)25-22(27)18-7-3-4-8-19(18)23(25)28/h3-6,9-13,18-19H,7-8H2,1-2H3,(H,24,26)/t18-,19-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C=CC(=C4)Cl)NC3=O)N[C@H]2[C@@H](C)O
InChI: InChI=1S/C19H22ClN3O4/c1-4-8(2)23-16(25)13-14(17(23)26)19(22-15(13)9(3)24)11-7-10(20)5-6-12(11)21-18(19)27/h5-9,13-15,22,24H,4H2,1-3H3,(H,21,27)/t8-,9-,13+,14+,15+,19+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC2=C(C=C(C(=C2)C=O)Br)OC
InChI: InChI=1S/C19H26BrNO4/c1-11-6-5-7-16(12(11)2)21-19(23)13(3)25-18-8-14(10-22)15(20)9-17(18)24-4/h8-13,16H,5-7H2,1-4H3,(H,21,23)/t11-,12+,13+,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)C(=O)NCC[N+](C)(C)C)C)C
InChI: InChI=1S/C33H58N2O/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-26-22-25(31(36)34-20-21-35(6,7)8)16-18-32(26,4)30(27)17-19-33(28,29)5/h12,23-25,27-30H,9-11,13-22H2,1-8H3/p+1/t24-,25+,27?,28-,29?,30?,32+,33-/m1/s1
SMILES: CC[C@H](C)[C@H]1[C@H](C=C[C@@H](C[C@@H](C[C@@H](C[C@H](C[C@@H](C[C@H](C[C@H](C[C@H]([C@H]([C@H](CC=CC=CC=CC=CC=CC=CC(=O)O1)O)C)O)O)O)O)O)O)O)O)C
InChI: InChI=1S/C41H66O11/c1-5-28(2)41-29(3)19-20-31(42)21-32(43)22-33(44)23-34(45)24-35(46)25-36(47)26-37(48)27-39(50)30(4)38(49)17-15-13-11-9-7-6-8-10-12-14-16-18-40(51)52-41/h6-16,18-20,28-39,41-50H,5,17,21-27H2,1-4H3/t28-,29-,30-,31-,32-,33-,34+,35-,36+,37+,38-,39+,41-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C[C@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@H]2OC
InChI: InChI=1S/C21H22O6S/c1-14-8-10-16(11-9-14)28(22,23)19-12-17-18(27-21(19)24-2)13-25-20(26-17)15-6-4-3-5-7-15/h3-12,17-18,20-21H,13H2,1-2H3/t17-,18+,20?,21+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@@H](O[C@@H]1C(F)SC)N2C=NC3=C(N=CN=C32)N)OC(=O)C
InChI: InChI=1S/C15H18FN5O5S/c1-6(22)24-9-10(12(16)27-3)26-15(11(9)25-7(2)23)21-5-20-8-13(17)18-4-19-14(8)21/h4-5,9-12,15H,1-3H3,(H2,17,18,19)/t9-,10+,11+,12?,15-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=C(C=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C20H18O11/c21-7-1-2-9(10(23)3-7)18-19(31-20-17(28)15(26)12(25)6-29-20)16(27)14-11(24)4-8(22)5-13(14)30-18/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17+,20+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NNC(=O)C3=CC=CC=C3Br
InChI: InChI=1S/C18H21BrN2O4/c19-15-4-2-1-3-14(15)18(24)21-20-16(22)10-25-17(23)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,20,22)(H,21,24)/t11-,12+,13+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=NNC3=CC=CC=C32
InChI: InChI=1S/C18H22N4O4/c1-11-6-2-4-8-13(11)19-18(25)20-15(23)10-26-17(24)16-12-7-3-5-9-14(12)21-22-16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,21,22)(H2,19,20,23,25)/t11-,13-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](N1CC3=CC=CC=C3)CC(=O)OC(C)(C)C)OC(O2)(C)C
InChI: InChI=1S/C23H33NO6/c1-15(25)27-14-18-21-20(29-23(5,6)30-21)17(12-19(26)28-22(2,3)4)24(18)13-16-10-8-7-9-11-16/h7-11,17-18,20-21H,12-14H2,1-6H3/t17-,18+,20-,21+/m0/s1
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H30N2O3S/c24-21(22-14-11-17-7-2-3-8-19(17)16-22)18-9-6-10-20(15-18)27(25,26)23-12-4-1-5-13-23/h6,9-10,15,17,19H,1-5,7-8,11-14,16H2/t17-,19-/m1/s1
SMILES: C1CC[NH+](CC1)[C@@H]2CC[C@@H]3CCC[C@H]2[C@H]3OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H30N2O2/c24-21(22-17-9-3-1-4-10-17)25-20-16-8-7-11-18(20)19(13-12-16)23-14-5-2-6-15-23/h1,3-4,9-10,16,18-20H,2,5-8,11-15H2,(H,22,24)/p+1/t16-,18+,19+,20-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1C/C=C/COCC2=CC=CC=C2
InChI: InChI=1S/C23H38O2Si/c1-23(2,3)26(4,5)25-22-17-10-9-15-21(22)16-11-12-18-24-19-20-13-7-6-8-14-20/h6-8,11-14,21-22H,9-10,15-19H2,1-5H3/b12-11+/t21-,22+/m1/s1
SMILES: CN1[C@H]([C@@H](N(C1C2=C[N+](=CC=C2)CC3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
InChI: InChI=1S/C29H30N3.BrH/c1-30-27(24-15-8-4-9-16-24)28(25-17-10-5-11-18-25)31(2)29(30)26-19-12-20-32(22-26)21-23-13-6-3-7-14-23;/h3-20,22,27-29H,21H2,1-2H3;1H/q+1;/p-1/t27-,28-;/m0./s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18ClN3O6/c1-33-19-11-9-16(10-12-19)26-23(29)20-21(14-3-2-4-18(13-14)28(31)32)27(34-22(20)24(26)30)17-7-5-15(25)6-8-17/h2-13,20-22H,1H3/t20-,21+,22-/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)CCC=C3NC4=NC(=NN24)SCC5=CC=CC=C5
InChI: InChI=1S/C24H24N4OS/c1-2-16-11-13-18(14-12-16)22-21-19(9-6-10-20(21)29)25-23-26-24(27-28(22)23)30-15-17-7-4-3-5-8-17/h3-5,7-9,11-14,21-22H,2,6,10,15H2,1H3,(H,25,26,27)/t21-,22-/m0/s1
SMILES: CCC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)O)NC(=O)[C@@H]2[C@H](O2)C(=O)OCC
InChI: InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6OCCO)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C42H35ClFN3O7/c1-23(49)24-6-16-29(17-7-24)46-38(50)32-19-18-30-33(36(32)40(46)52)22-34-39(51)47(45-28-14-12-27(44)13-15-28)41(53)42(34,25-8-10-26(43)11-9-25)37(30)31-4-2-3-5-35(31)54-21-20-48/h2-18,32-34,36-37,45,48H,19-22H2,1H3/t32-,33+,34-,36-,37+,42+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3([C@@H](CC5C4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)O)C)C)OC1
InChI: InChI=1S/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20?,21?,22?,23?,24-,25-,26?,27+,28+,29-,30-,31+,32-,33-/m1/s1
SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)/C=C/C(=O)C3=C([C@H]4C=C(C=C[C@H]4NC3=O)[N+](=O)[O-])C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C33H24N4O4/c38-30(19-17-25-21-29(22-10-4-1-5-11-22)35-36(25)24-14-8-3-9-15-24)32-31(23-12-6-2-7-13-23)27-20-26(37(40)41)16-18-28(27)34-33(32)39/h1-21,27-28H,(H,34,39)/b19-17+/t27-,28+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)CO)O)O
InChI: InChI=1S/C18H25N6O11PS/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(34-15)6-32-36(31,37)35-14-7(5-25)33-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,37)(H2,19,21,29)(H2,20,22,30)/t7-,8-,11-,12-,13-,14-,15-,16-,36?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@](C=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)(CCCCCCCl)O
InChI: InChI=1S/C37H69ClO3Si2/c1-33(2,3)42(9,10)40-28-19-22-35(7)27(25-28)26-37(39,21-15-13-14-16-24-38)32-29-17-18-31(36(29,8)23-20-30(32)35)41-43(11,12)34(4,5)6/h26,28-32,39H,13-25H2,1-12H3/t28-,29-,30-,31-,32-,35-,36-,37+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)O)C5=C(C=CC(=C5)C#CCNC(=O)N)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC(=CC=C7)OCCO)C8=CC=CC=C8
InChI: InChI=1S/C47H39N5O12/c48-45(58)49-22-8-9-28-18-21-36-35(25-28)47(44(57)50(36)46(59)63-27-29-16-19-33(20-17-29)52(60)61)37(42(54)55)39-43(56)64-40(31-12-5-2-6-13-31)38(30-10-3-1-4-11-30)51(39)41(47)32-14-7-15-34(26-32)62-24-23-53/h1-7,10-21,25-26,37-41,53H,22-24,27H2,(H,54,55)(H3,48,49,58)/t37-,38-,39-,40+,41+,47-/m0/s1
SMILES: C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)[C@@H]([C@@H]([C@@H](OC2=O)[C@@H]([C@@H](CO)O)O)OC4=O)O
InChI: InChI=1S/C20H18O14/c21-2-5(23)11(25)17-18-15(29)9-8(20(32)34-18)7(13(27)16(30)14(9)28)6-3(19(31)33-17)1-4(22)10(24)12(6)26/h1,5,11,15,17-18,21-30H,2H2/t5-,11-,15+,17+,18+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)COCCOCCOC)C)C(=O)O
InChI: InChI=1S/C37H60O7/c1-24(2)25-11-16-37(32(39)40)18-17-35(6)26(31(25)37)9-10-28-34(5)14-13-29(33(3,4)27(34)12-15-36(28,35)7)44-30(38)23-43-22-21-42-20-19-41-8/h25-29,31H,1,9-23H2,2-8H3,(H,39,40)/t25-,26?,27?,28?,29-,31?,34-,35+,36+,37-/m0/s1
SMILES: C1C=C[C@@]2(O1)[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
InChI: InChI=1S/C37H38O6/c1-5-14-29(15-6-1)24-38-28-33-34(39-25-30-16-7-2-8-17-30)35(40-26-31-18-9-3-10-19-31)36(37(43-33)22-13-23-42-37)41-27-32-20-11-4-12-21-32/h1-22,33-36H,23-28H2/t33-,34-,35+,36+,37+/m1/s1
SMILES: CC(C)C1=C2[C@@H]3C=CC(=C[C@H]([C@@]3(CC[C@]2(CC1)C)C)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C26H41F3O4SSi/c1-17(2)19-12-13-24(6)14-15-25(7)20(22(19)24)11-10-18(32-34(30,31)26(27,28)29)16-21(25)33-35(8,9)23(3,4)5/h10-11,16-17,20-21H,12-15H2,1-9H3/t20-,21+,24+,25+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI: InChI=1S/C15H10O6.C10H13N5O4/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h1-6,16-18,20H;3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t;6-,7+,8+/m.0/s1
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3C[C@@H]4CC(C[C@@H]4C3)O
InChI: InChI=1S/C19H28N4O3/c1-3-5-22-17-15(18(25)23(6-4-2)19(22)26)20-16(21-17)13-7-11-9-14(24)10-12(11)8-13/h11-14,24H,3-10H2,1-2H3,(H,20,21)/t11-,12+,13?,14?
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC67CC8CC(C6)CC(C8)C7)C(=O)CC9=CC(=C(C=C9)OC)OC)O)C(=C5)C(=O)CC1=C(C=CC=C1Cl)F)O)C
InChI: InChI=1S/C51H63ClFNO6/c1-46-13-10-35(55)27-49(46)16-17-51(37(28-49)40(56)23-36-38(52)6-5-7-39(36)53)43(46)11-14-47(2)44(51)12-15-50(47,58)30-54(29-48-24-32-18-33(25-48)20-34(19-32)26-48)45(57)22-31-8-9-41(59-3)42(21-31)60-4/h5-9,16-17,21,28,32-35,43-44,55,58H,10-15,18-20,22-27,29-30H2,1-4H3/t32?,33?,34?,35?,43-,44-,46-,47+,48?,49+,50-,51-/m1/s1
SMILES: CC[C@@H](C(C)C)C(=O)C(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]45[C@@]3(CC[C@H]4C5)C)C
InChI: InChI=1S/C29H44O3/c1-7-19(16(2)3)26(32)25(31)17(4)21-8-9-22-20-14-24(30)29-15-18(29)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,27+,28+,29-/m0/s1
SMILES: C1[C@H]([C@H]2C3=CC=CC=C3C=CN2[C@@H]1C(=O)C4=CC=CC=C4)C#N
InChI: InChI=1S/C20H16N2O/c21-13-16-12-18(20(23)15-7-2-1-3-8-15)22-11-10-14-6-4-5-9-17(14)19(16)22/h1-11,16,18-19H,12H2/t16-,18-,19-/m0/s1
SMILES: C[C@@H]1C[C@]2([C@@H](C=C1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)/C=C/CCCCCO[Si](C)(C)C(C)(C)C)C(=C(C(=O)O2)OCC5=CC=CC=C5)OCOC
InChI: InChI=1S/C49H68O7Si2/c1-38-34-49(45(53-37-51-8)44(46(50)56-49)52-35-39-25-17-14-18-26-39)41(27-19-12-11-13-24-32-54-57(9,10)47(2,3)4)33-40(38)36-55-58(48(5,6)7,42-28-20-15-21-29-42)43-30-22-16-23-31-43/h14-23,25-31,33,38,41H,11-13,24,32,34-37H2,1-10H3/b27-19+/t38-,41-,49+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1CC2(SCCCS2)[C@H]([C@H]3[C@@H]([C@H]([C@H](CO3)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)C)O)(C)C)CCCCOCC6=CC=CC=C6
InChI: InChI=1S/C45H62O8S2/c1-32-38(19-12-13-24-48-28-34-15-8-6-9-16-34)52-44(3,4)53-39(32)27-45(54-25-14-26-55-45)43(46)42-33(2)41(50-30-35-17-10-7-11-18-35)40(31-51-42)49-29-36-20-22-37(47-5)23-21-36/h6-11,15-18,20-23,32-33,38-43,46H,12-14,19,24-31H2,1-5H3/t32-,33+,38+,39-,40-,41+,42+,43-/m0/s1
SMILES: CC(=C(C1[C@@H]2[C@H]1C3CC2[C@@H]4[C@H]3C4C(=C(C)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C21H28O4/c1-8(2)20(24-10(5)22)18-14-12-7-13(15(14)18)17-16(12)19(17)21(9(3)4)25-11(6)23/h12-19H,7H2,1-6H3/t12?,13?,14-,15+,16+,17-,18?,19?
SMILES: C[C@H](C[C@@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)C(C)C)C(=O)O
InChI: InChI=1S/C17H31NO5/c1-10(2)13-12(9-11(3)14(19)20)22-17(7,8)18(13)15(21)23-16(4,5)6/h10-13H,9H2,1-8H3,(H,19,20)/t11-,12-,13+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](C([C@H]([C@@H](C2O)OC(=O)C3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)OC)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C46H42O16/c1-53-31-16-6-26(7-17-31)42(48)58-37-36(47)38(59-43(49)27-8-18-32(54-2)19-9-27)40(61-45(51)29-12-22-34(56-4)23-13-29)41(62-46(52)30-14-24-35(57-5)25-15-30)39(37)60-44(50)28-10-20-33(55-3)21-11-28/h6-25,36-41,47H,1-5H3/t36?,37-,38+,39+,40-,41?
SMILES: B1(O[C@H]2C[C@@H]3C[C@H]([C@]2(O1)C)C3(C)C)[C@H](CCC4=CC=CC(=C4)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI: InChI=1S/C44H67BN6O11/c1-23(2)36(49-39(57)29(15-17-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-18-10-13-30(51)40(58)48-33(16-14-26-12-9-11-25(5)19-26)45-61-32-21-27-20-31(43(27,6)7)44(32,8)62-45/h9,11-12,19,23-24,27-33,36-37H,10,13-18,20-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30-,31-,32-,33-,36-,37-,44+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)CC(=O)NC34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C21H34N2O/c24-20(14-23-6-5-18-3-1-2-4-19(18)13-23)22-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-19H,1-14H2,(H,22,24)/t15?,16?,17?,18-,19-,21?/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CN(C6=CC=CC=C65)C(=O)C)CCCO
InChI: InChI=1S/C35H35N3O5S/c1-4-42-35-26(9-7-17-39)27(28-20-38(22(3)40)30-10-6-5-8-25(28)30)19-31(43-35)33(41)36-24-14-12-23(13-15-24)34-37-29-16-11-21(2)18-32(29)44-34/h5-6,8,10-16,18-20,26-27,35,39H,4,7,9,17H2,1-3H3,(H,36,41)/t26-,27+,35-/m1/s1
SMILES: COCC[NH+](CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[C@@H]3CCS(=O)(=O)C3
InChI: InChI=1S/C16H24N2O5S/c1-23-8-7-17(12-6-9-24(21,22)10-12)11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-3,12-14H,4-11H2,1H3/p+1/t12-,13+,14+/m1/s1
SMILES: C1[C@@H]2[C@H]3C[C@@H]4[C@@H]2[C@H]5[C@@H]1[C@@H]3C(=S)[C@@H]45
InChI: InChI=1S/C11H12S/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10+/m1/s1
SMILES: CC1=CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2=C)CCC4=O)C)C
InChI: InChI=1S/C21H26O2/c1-12-9-15-16-5-6-19(23)20(16,3)8-7-17(15)21(4)13(2)10-14(22)11-18(12)21/h10-11,15-17H,1,5-9H2,2-4H3/t15-,16-,17-,20-,21+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](CS1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O8S/c1-7(15)19-5-12-14(22-10(4)18)13(21-9(3)17)11(6-23-12)20-8(2)16/h11-14H,5-6H2,1-4H3/t11-,12+,13+,14+/m0/s1
SMILES: CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)Cl)C4=C2[C@H]5[C@@]67CCN([C@@H]([C@@]6(C4)OCC8=CC=CC(=C8)C)CC9=C7C(=C(C=C9)O)O5)CC1CC1
InChI: InChI=1S/C42H41ClN2O3/c1-25-5-3-7-28(17-25)23-45-34-13-12-31(43)20-32(34)33-21-42(47-24-29-8-4-6-26(2)18-29)36-19-30-11-14-35(46)39-37(30)41(42,40(48-39)38(33)45)15-16-44(36)22-27-9-10-27/h3-8,11-14,17-18,20,27,36,40,46H,9-10,15-16,19,21-24H2,1-2H3/t36-,40+,41+,42-/m1/s1
SMILES: CCCC(=O)N([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C3CCCCC3
InChI: InChI=1S/C27H39IN2O7/c1-3-7-24(33)30(19-8-5-4-6-9-19)21-14-18(27(35)29-10-11-31)15-22(25(21)34)37-26-20(28)12-17(16-32)13-23(26)36-2/h12-13,15,19,21-22,25,31-32,34H,3-11,14,16H2,1-2H3,(H,29,35)/t21-,22+,25+/m1/s1
SMILES: C1C2=CC=CC=C2COP(=O)(O1)OC3[C@@H]([C@H](C([C@@H]([C@@H]3O)O)O)O)O
InChI: InChI=1S/C14H19O9P/c15-9-10(16)12(18)14(13(19)11(9)17)23-24(20)21-5-7-3-1-2-4-8(7)6-22-24/h1-4,9-19H,5-6H2/t9?,10-,11-,12-,13+,14?/m0/s1
SMILES: C1[C@H]2C[C@H]([C@@H]1C=C2)N3C4=CC=CC=C4C5=CC=CC=C53
InChI: InChI=1S/C19H17N/c1-3-7-17-15(5-1)16-6-2-4-8-18(16)20(17)19-12-13-9-10-14(19)11-13/h1-10,13-14,19H,11-12H2/t13-,14+,19+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)OCC(=S)N
InChI: InChI=1S/C13H20F2N2O8S/c1-4(19)17-7-9(8(21)5(20)2-18)25-13(15,12(22)23)11(14)10(7)24-3-6(16)26/h5,7-11,18,20-21H,2-3H2,1H3,(H2,16,26)(H,17,19)(H,22,23)/t5-,7+,8-,9-,10-,11+,13+/m1/s1
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5CC[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)(C)C)O
InChI: InChI=1S/C30H50O4/c1-24(2)19-8-9-20-27(6)16-18(31)23(28(7)12-11-22(34-28)25(3,4)33)26(27,5)14-15-30(20)17-29(19,30)13-10-21(24)32/h18-23,31-33H,8-17H2,1-7H3/t18-,19-,20-,21-,22-,23-,26+,27-,28+,29+,30-/m0/s1
SMILES: C1CC[NH+]2CCC[C@H]([C@H]2C1)COC(=O)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H21F2NO2/c18-14-7-6-12(10-15(14)19)17(21)22-11-13-4-3-9-20-8-2-1-5-16(13)20/h6-7,10,13,16H,1-5,8-9,11H2/p+1/t13-,16+/m0/s1
SMILES: CC(=O)NC1=C(C=C2C(=C1)[C@@H]([C@H](C(O2)(C)C)O)NCCC3=CC=C(C=C3)N)[N+](=O)[O-]
InChI: InChI=1S/C21H26N4O5/c1-12(26)24-16-10-15-18(11-17(16)25(28)29)30-21(2,3)20(27)19(15)23-9-8-13-4-6-14(22)7-5-13/h4-7,10-11,19-20,23,27H,8-9,22H2,1-3H3,(H,24,26)/t19-,20+/m0/s1
SMILES: COC1=CN([C@H]2CC(=O)C3=C([C@H]2C1)C=C(S3)C(=O)OC)C(=O)OC
InChI: InChI=1S/C16H17NO6S/c1-21-8-4-9-10-5-13(15(19)22-2)24-14(10)12(18)6-11(9)17(7-8)16(20)23-3/h5,7,9,11H,4,6H2,1-3H3/t9-,11+/m1/s1
SMILES: CC[C@@H]1[C@H](C2=CC=CC=C2[C+](C3=CC=CC=C13)C4=CC=CC=C4)CC.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C25H25.ClHO4/c1-3-19-20(4-2)22-15-9-11-17-24(22)25(18-12-6-5-7-13-18)23-16-10-8-14-21(19)23;2-1(3,4)5/h5-17,19-20H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/t19-,20-;/m1./s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=N/OCC(=O)NCC3=CN=CC=C3)\CC4=C(C(=CC(=C4Cl)O)O)C(=O)O1
InChI: InChI=1S/C26H26ClN3O7/c1-15-9-22-21(37-22)7-3-2-6-17(30-35-14-23(33)29-13-16-5-4-8-28-12-16)10-18-24(26(34)36-15)19(31)11-20(32)25(18)27/h2-8,11-12,15,21-22,31-32H,9-10,13-14H2,1H3,(H,29,33)/b6-2+,7-3-,30-17+/t15-,21-,22-/m1/s1
SMILES: CCCCN(C)C(=O)CCCCCC(CC[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)O)CBr
InChI: InChI=1S/C33H52BrNO3/c1-4-5-19-35(3)31(37)10-8-6-7-9-23(22-34)11-12-25-21-30-29-15-13-24-20-26(36)14-16-27(24)28(29)17-18-33(30,2)32(25)38/h14,16,20,23,25,28-30,32,36,38H,4-13,15,17-19,21-22H2,1-3H3/t23?,25-,28-,29-,30+,32+,33+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
SMILES: CC1=C(C=CC(=C1)OCCC(=O)NC(C)(C)CO)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
InChI: InChI=1S/C27H41N3O9/c1-14(2)21-18(25(30-29-21)39-26-24(36)23(35)22(34)19(12-31)38-26)11-16-6-7-17(10-15(16)3)37-9-8-20(33)28-27(4,5)13-32/h6-7,10,14,19,22-24,26,31-32,34-36H,8-9,11-13H2,1-5H3,(H,28,33)(H,29,30)/t19-,22-,23+,24-,26+/m1/s1