EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H]1[C@@]2([C@@H](CC(=O)O2)[C@H](C(=O)[C@@H](C[C@@]3([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N/OCC4=NC5=C(C=C4)N=CO5)/CO3)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C41H60N4O12/c1-11-31-41(8)28(15-32(46)57-41)23(4)33(47)21(2)16-40(7)36(56-39-34(48)30(45(9)10)14-22(3)54-39)24(5)35(25(6)38(49)55-31)50-17-27(18-52-40)44-53-19-26-12-13-29-37(43-26)51-20-42-29/h12-13,20-25,28,30-31,34-36,39,48H,11,14-19H2,1-10H3/b44-27-/t21-,22-,23-,24+,25-,28+,30+,31-,34-,35+,36-,39+,40-,41+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@]3([C@@]2(C4([NH+]=C3N)OCCO4)C#N)C#N
InChI: InChI=1S/C16H14N4O2/c1-10-2-4-11(5-3-10)12-14(8-17)13(19)20-16(15(12,14)9-18)21-6-7-22-16/h2-5,12H,6-7H2,1H3,(H2,19,20)/p+1/t12-,14-,15-/m1/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2C[C@H]3C(=O)C=C[C@@H]2[NH+]3CC4=CC=CC=C4
InChI: InChI=1S/C21H21NO2/c1-24-17-9-5-8-16(12-17)18-13-20-21(23)11-10-19(18)22(20)14-15-6-3-2-4-7-15/h2-12,18-20H,13-14H2,1H3/p+1/t18-,19-,20-/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CNC(=O)CON=CC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)O)O
InChI: InChI=1S/C18H18N6O12/c25-12-1-2-22(18(30)21-12)17-16(29)15(28)11(36-17)6-19-13(26)7-35-20-5-8-3-9(23(31)32)4-10(14(8)27)24(33)34/h1-5,11,15-17,27-29H,6-7H2,(H,19,26)(H,21,25,30)/t11-,15-,16-,17-/m1/s1
SMILES: C1CC1C(=O)N=C2N([C@H]3CS(=O)(=O)C[C@@H]3S2)C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C15H14F2N2O3S2/c16-9-3-4-11(10(17)5-9)19-12-6-24(21,22)7-13(12)23-15(19)18-14(20)8-1-2-8/h3-5,8,12-13H,1-2,6-7H2/t12-,13-/m0/s1
SMILES: C(CCCCCCC(=O)O)CCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)NCCO
InChI: InChI=1S/C25H46N2O11/c28-14-13-26-24(36)17(16-37-25-23(35)22(34)21(33)18(15-29)38-25)27-19(30)11-9-7-5-3-1-2-4-6-8-10-12-20(31)32/h17-18,21-23,25,28-29,33-35H,1-16H2,(H,26,36)(H,27,30)(H,31,32)/t17?,18-,21+,22+,23-,25-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC
InChI: InChI=1S/C18H23N3O7/c1-11-5-3-4-6-14(11)19-18(24)20-16(22)10-28-17(23)13-9-12(21(25)26)7-8-15(13)27-2/h7-9,11,14H,3-6,10H2,1-2H3,(H2,19,20,22,24)/t11-,14+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)OC)C
InChI: InChI=1S/C17H29NO8/c1-16(2,3)26-15(20)18-9(8-10(19)21-6)11-12(22-7)13-14(23-11)25-17(4,5)24-13/h9,11-14H,8H2,1-7H3,(H,18,20)/t9-,11-,12+,13-,14-/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]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C46H51N3O13/c1-29(50)54-28-36-39(59-30(2)51)40(60-31(3)52)37(48-49-47)46(61-36)62-42-38(53)41(55-24-32-16-8-4-9-17-32)43(56-25-33-18-10-5-11-19-33)45(58-27-35-22-14-7-15-23-35)44(42)57-26-34-20-12-6-13-21-34/h4-23,36-46,53H,24-28H2,1-3H3/t36-,37-,38+,39+,40-,41+,42+,43+,44-,45-,46-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC4=C3N=S=N4
InChI: InChI=1S/C18H18N4O5S/c23-14(19-12-6-3-7-13-16(12)21-28-20-13)9-27-15(24)8-22-17(25)10-4-1-2-5-11(10)18(22)26/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,19,23)/t10-,11-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)OC[C@@H]3CC[C@@H](O3)N4C=NC5=C(N=CN=C54)N)N=[N+]=[N-]
InChI: InChI=1S/C23H28N11O8P/c1-13-8-33(23(36)30-22(13)35)18-7-15(31-32-26)16(42-18)10-40-43(37,38-6-2-5-24)39-9-14-3-4-17(41-14)34-12-29-19-20(25)27-11-28-21(19)34/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H2,25,27,28)(H,30,35,36)/t14-,15-,16+,17+,18+,43?/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C28H24BrNO9/c1-37-20-8-12(9-21(38-2)25(20)33)4-5-14-13-6-7-15-23(27(35)30(26(15)34)28(36)39-3)16(13)10-17-22(14)19(31)11-18(29)24(17)32/h4-6,8-9,11,14-16,23,33H,7,10H2,1-3H3/t14-,15-,16+,23-/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)NC(=O)CCC(=O)O)CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C32H38N2O8/c1-20-28(18-34(2)17-27(37)24-4-3-5-26(36)16-24)41-32(42-31(20)22-8-6-21(19-35)7-9-22)23-10-12-25(13-11-23)33-29(38)14-15-30(39)40/h3-13,16,20,27-28,31-32,35-37H,14-15,17-19H2,1-2H3,(H,33,38)(H,39,40)/t20-,27+,28+,31+,32+/m0/s1
SMILES: C=C1[C@@H]([C@H]1C(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C26H20N2O2/c1-16-23(25(29)27-21-12-10-17-6-2-4-8-19(17)14-21)24(16)26(30)28-22-13-11-18-7-3-5-9-20(18)15-22/h2-15,23-24H,1H2,(H,27,29)(H,28,30)/t23-,24-/m0/s1
SMILES: CCCNC(=O)CNC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-2-7-18-13(21)8-19-14(22)10-26-15(23)9-20-16(24)11-5-3-4-6-12(11)17(20)25/h3-4,11-12H,2,5-10H2,1H3,(H,18,21)(H,19,22)/t11-,12-/m1/s1
SMILES: C[C@@H]1CN(C[C@H]1C)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O
InChI: InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)12-13-32-24-9-6-20(7-10-24)27-28(21-4-3-5-22(30)14-21)34-26-15-23(31)8-11-25(26)33-27/h3-11,14-15,18-19,27-28,30-31H,12-13,16-17H2,1-2H3/t18-,19-,27+,28-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)O)O)CO)O)O
InChI: InChI=1S/C22H36N2O17/c1-5(27)23-9-13(31)11(29)7(3-25)38-21(9)40-17-14(32)15(33)22(41-18(17)19(34)35)39-16-10(24-6(2)28)20(36)37-8(4-26)12(16)30/h7-18,20-22,25-26,29-33,36H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,20?,21+,22-/m1/s1
SMILES: CC(=O)N[C@H]1[C@@H](C=C[C@@H]1SC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H27NO2SSi/c1-10(16)15-13-11(8-9-12(13)18-5)17-19(6,7)14(2,3)4/h8-9,11-13H,1-7H3,(H,15,16)/t11-,12+,13+/m1/s1
SMILES: CN1CCN(P12(O[C@]([C@](O2)(C3=CC=CC=C3)C(=O)OC)(C4=CC=CC=C4)C(=O)OC)N(C)C)C
InChI: InChI=1S/C24H32N3O6P/c1-25(2)34(26(3)17-18-27(34)4)32-23(21(28)30-5,19-13-9-7-10-14-19)24(33-34,22(29)31-6)20-15-11-8-12-16-20/h7-16H,17-18H2,1-6H3/t23-,24+
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=C(C=CC=C3C)C)O
InChI: InChI=1S/C20H25N3O5/c1-4-13-10-23(20(27)22-18(13)25)16-8-14(24)15(28-16)9-21-19(26)17-11(2)6-5-7-12(17)3/h5-7,10,14-16,24H,4,8-9H2,1-3H3,(H,21,26)(H,22,25,27)/t14-,15+,16+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](ON=C1[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C)C(=O)OCC
InChI: InChI=1S/C19H30N2O8/c1-8-25-15(22)12-13(20-29-14(12)16(23)26-9-2)11-10-27-19(6,7)21(11)17(24)28-18(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C(=CC=C6)OC)O)C(=O)C=C(C5=O)Br
InChI: InChI=1S/C31H24BrNO7/c1-14(34)15-6-8-16(9-7-15)33-30(38)19-11-10-17-20(26(19)31(33)39)12-21-27(23(35)13-22(32)28(21)36)25(17)18-4-3-5-24(40-2)29(18)37/h3-10,13,19-20,25-26,37H,11-12H2,1-2H3/t19-,20+,25+,26-/m0/s1
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)OC
InChI: InChI=1S/C22H28N2O5/c1-28-18-10-9-15(14-19(18)29-2)11-12-23-20(25)8-5-13-24-21(26)16-6-3-4-7-17(16)22(24)27/h3-4,9-10,14,16-17H,5-8,11-13H2,1-2H3,(H,23,25)/t16-,17-/m0/s1
SMILES: CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C)C4=CC=CC=C4
InChI: InChI=1S/C26H31N3O4S2/c1-19(2)35(32,33)28-26-18-29(24-10-5-4-6-11-24)17-25(26)21-14-12-20(13-15-21)22-8-7-9-23(16-22)27-34(3,30)31/h4-16,19,25-28H,17-18H2,1-3H3/t25-,26+/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=C(C(=CC=C4)Cl)Cl)C#N
InChI: InChI=1S/C16H12Cl2N4O2/c1-8-5-23-16(24-8)15(7-20)12(14(15,6-19)13(21)22-16)9-3-2-4-10(17)11(9)18/h2-4,8,12H,5H2,1H3,(H2,21,22)/t8-,12+,14+,15+,16+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)C(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H21ClN2O/c1-13-3-8-18-16(11-13)17-12-22(2)10-9-19(17)23(18)20(24)14-4-6-15(21)7-5-14/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19+/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OCF)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C=C/C=C
InChI: InChI=1S/C44H38FN5O6S2/c1-3-4-14-30-26-57-41-37(40(52)50(41)38(30)42(53)55-25-29-21-23-34(54-2)24-22-29)47-39(51)36(49-56-28-45)35-27-58-43(46-35)48-44(31-15-8-5-9-16-31,32-17-10-6-11-18-32)33-19-12-7-13-20-33/h3-24,27,37,41H,1,25-26,28H2,2H3,(H,46,48)(H,47,51)/b14-4+,49-36-/t37-,41-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=C(C=CC(=C3)C)OC
InChI: InChI=1S/C20H25N3O5/c1-12-8-9-16(28-3)14(10-12)21-17(24)11-22-18(25)19(26)23(20(22)27)15-7-5-4-6-13(15)2/h8-10,13,15H,4-7,11H2,1-3H3,(H,21,24)/t13-,15+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=C(C=C5)C=CC(=O)O[C@H]6C(=O)OCC6(C)C)C(=O)NCCO)CCCCC
InChI: InChI=1S/C38H52N2O11/c1-5-7-9-17-37(18-10-8-6-2)49-28-26-21-38(35(45)39-19-20-41)30(33(43)47-26)40(51-31(38)29(28)50-37)22-25-13-11-24(12-14-25)15-16-27(42)48-32-34(44)46-23-36(32,3)4/h11-16,26,28-32,41H,5-10,17-23H2,1-4H3,(H,39,45)/t26-,28+,29+,30+,31-,32+,38+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](/C=C(/C(=O)O1)\C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCC4=CC=C(C=C4)N)C
InChI: InChI=1S/C40H64N4O9/c1-12-31-40(8)34(44(38(48)53-40)42-19-13-14-28-15-17-29(41)18-16-28)27(6)32(45)25(4)22-39(7,49-11)35(23(2)20-24(3)36(47)51-31)52-37-33(46)30(43(9)10)21-26(5)50-37/h15-18,20,23,25-27,30-31,33-35,37,42,46H,12-14,19,21-22,41H2,1-11H3/b24-20+/t23-,25+,26+,27-,30-,31+,33+,34+,35+,37-,39+,40+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)CCC(=O)O)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C35H36N2O7S/c1-23-30(22-45-32-7-2-3-18-37(32)42)43-35(44-34(23)27-10-8-24(21-38)9-11-27)28-14-12-26(13-15-28)29-6-4-5-25(19-29)20-36-31(39)16-17-33(40)41/h2-15,18-19,23,30,34-35,38H,16-17,20-22H2,1H3,(H,36,39)(H,40,41)/t23-,30+,34+,35+/m1/s1
SMILES: CCCC1=CC(=C(S1)CO)[C@H]2[C@@H](CCC3=CC(=C(C=C23)OC)OC)N
InChI: InChI=1S/C20H27NO3S/c1-4-5-13-9-15(19(11-22)25-13)20-14-10-18(24-3)17(23-2)8-12(14)6-7-16(20)21/h8-10,16,20,22H,4-7,11,21H2,1-3H3/t16-,20+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H29NO5/c1-14-6-5-7-17(15(14)2)22-20(23)13-27-21(24)11-9-16-8-10-18(25-3)19(12-16)26-4/h8-12,14-15,17H,5-7,13H2,1-4H3,(H,22,23)/b11-9+/t14-,15-,17-/m1/s1
SMILES: C[C@@]12CC[C@@]([C@@](O1)([C@H](O2)C(=O)OC)C(=O)OC)(C(=O)OC)O
InChI: InChI=1S/C13H18O9/c1-11-5-6-12(17,9(15)19-3)13(22-11,10(16)20-4)7(21-11)8(14)18-2/h7,17H,5-6H2,1-4H3/t7-,11+,12+,13-/m1/s1
SMILES: COC[C@@H]1CC23C=C(C(=O)C=C2O[C@@]1(CC4=CC(=C(C=C34)OC)OC)COC)OC
InChI: InChI=1S/C23H28O7/c1-25-12-15-10-22-11-20(29-5)17(24)8-21(22)30-23(15,13-26-2)9-14-6-18(27-3)19(28-4)7-16(14)22/h6-8,11,15H,9-10,12-13H2,1-5H3/t15-,22?,23-/m0/s1
SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC=CC=C3)CO)O)O)O)(CO)O
InChI: InChI=1S/C19H28O10/c20-8-12-13(22)14(23)15(29-18-16(24)19(25,9-21)10-27-18)17(28-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2/t12-,13-,14+,15-,16+,17-,18+,19-/m1/s1
SMILES: C1=CO[C@@H]([C@H]([C@@H]1OC(=O)CCl)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCl)OC(=O)CCl)OC(=O)CCl)OC(=O)CCl)COC(=O)CCl
InChI: InChI=1S/C24H26Cl6O15/c25-3-14(31)38-9-12-20(11(1-2-37-12)40-16(33)5-27)45-24-23(44-19(36)8-30)22(43-18(35)7-29)21(42-17(34)6-28)13(41-24)10-39-15(32)4-26/h1-2,11-13,20-24H,3-10H2/t11-,12-,13-,20+,21-,22+,23-,24-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCCO)[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)NCC=C
InChI: InChI=1S/C46H45N3O10/c1-3-23-47-42(52)37-39-43(53)59-40(32-17-8-5-9-18-32)38(31-15-6-4-7-16-31)49(39)41(33-19-10-11-20-36(33)57-26-25-51)46(37)34-29-30(14-12-13-24-50)21-22-35(34)48(44(46)54)45(55)58-28-27-56-2/h3-11,15-22,29,37-41,50-51H,1,13,23-28H2,2H3,(H,47,52)/t37-,38-,39-,40+,41+,46-/m0/s1
SMILES: C(CCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CCN=[N+]=[N-]
InChI: InChI=1S/C12H23N3O6/c13-15-14-5-3-1-2-4-6-20-12-11(19)10(18)9(17)8(7-16)21-12/h8-12,16-19H,1-7H2/t8-,9+,10+,11-,12-/m1/s1
SMILES: CCN1CCN([C@@H]([C@@H]1C2=C(C=C(C=C2)O)F)C3=C(C=C(C=C3)O)F)CC
InChI: InChI=1S/C20H24F2N2O2/c1-3-23-9-10-24(4-2)20(16-8-6-14(26)12-18(16)22)19(23)15-7-5-13(25)11-17(15)21/h5-8,11-12,19-20,25-26H,3-4,9-10H2,1-2H3/t19-,20+
SMILES: C1CNC(=O)C2=C(N(C=C21)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)O
InChI: InChI=1S/C13H16N2O7/c16-4-6-9(17)10(18)12(22-6)15-3-5-1-2-14-11(19)7(5)8(15)13(20)21/h3,6,9-10,12,16-18H,1-2,4H2,(H,14,19)(H,20,21)/t6-,9-,10-,12-/m1/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CC[C@H]([C@H](C4)COC5=CC6=C(C=C5)OCO6)C7=CC=C(C=C7)F
InChI: InChI=1S/C34H40FNO5/c1-21-4-3-12-34(2)16-32-27(15-29(21)34)28(33(37)41-32)18-36-13-11-26(22-5-7-24(35)8-6-22)23(17-36)19-38-25-9-10-30-31(14-25)40-20-39-30/h5-10,14,23,26-29,32H,1,3-4,11-13,15-20H2,2H3/p+1/t23-,26+,27+,28+,29-,32-,34+/m1/s1
SMILES: C1CC1C2=NN=C3N2N[C@@H]([C@H](S3)C(=O)C4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)Br
InChI: InChI=1S/C20H15BrF2N4OS/c21-13-6-3-10(4-7-13)16-18(17(28)12-5-8-14(22)15(23)9-12)29-20-25-24-19(11-1-2-11)27(20)26-16/h3-9,11,16,18,26H,1-2H2/t16-,18+/m1/s1
SMILES: C[C@H]1CC[C@H]2C[C@@H](OC(=O)C[C@H]3C[C@@H](C[C@H](O3)C[C@@H](C[C@H]1O2)OC)OC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F)/C=C/CC(C)C
InChI: InChI=1S/C31H47F6O10P/c1-19(2)6-5-7-21-10-22-9-8-20(3)27(45-22)14-23(41-4)11-24-12-25(13-26(44-24)15-28(38)46-21)47-29(39)16-48(40,42-17-30(32,33)34)43-18-31(35,36)37/h5,7,19-27H,6,8-18H2,1-4H3/b7-5+/t20-,21-,22-,23-,24+,25+,26+,27+/m0/s1
SMILES: C[C@]12[C@H]3C[C@H](C3(C)C)CC1=N[C@H](C(=O)O2)[C@](C(=O)OC)(C(F)(F)F)O
InChI: InChI=1S/C16H20F3NO5/c1-13(2)7-5-8(13)14(3)9(6-7)20-10(11(21)25-14)15(23,12(22)24-4)16(17,18)19/h7-8,10,23H,5-6H2,1-4H3/t7-,8-,10+,14-,15-/m0/s1
SMILES: CCOC(=O)/C=C\[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O
InChI: InChI=1S/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3/b8-7-/t10-,11-,13-,14-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]([C@H]2CO[C@@H](N2C1=O)C3=CC=CC=C3)CC(=O)OC(C)(C)C
InChI: InChI=1S/C21H27NO6/c1-5-26-20(25)17-14(11-16(23)28-21(2,3)4)15-12-27-19(22(15)18(17)24)13-9-7-6-8-10-13/h6-10,14-15,17,19H,5,11-12H2,1-4H3/t14-,15-,17-,19-/m1/s1
SMILES: CCCCCCCCCCC(=O)C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-13(20)11-14-16(21)18(23)17(22)15(12-19)24-14/h14-19,21-23H,2-12H2,1H3/t14-,15-,16+,17-,18-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C28H38O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-8,20-25H,9-17H2,1-3H3/t20-,21+,22-,23+,24-,25-,27-,28-/m0/s1
SMILES: C1CC(=O)[C@@H]2[C@@H](N3C4=CC=CC=C4N=C3NC2=C1)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C24H19N3O/c28-21-14-6-12-19-22(21)23(17-10-5-8-15-7-1-2-9-16(15)17)27-20-13-4-3-11-18(20)25-24(27)26-19/h1-5,7-13,22-23H,6,14H2,(H,25,26)/t22-,23+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C20H25NOS/c1-14-6-5-9-19(15(14)2)21-20(22)13-23-18-11-10-16-7-3-4-8-17(16)12-18/h3-4,7-8,10-12,14-15,19H,5-6,9,13H2,1-2H3,(H,21,22)/t14-,15-,19-/m1/s1
SMILES: C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl
InChI: InChI=1S/C16H13ClF3N3O3/c17-8-5-7(16(18,19)20)6-22-13(8)21-3-4-23-14(24)11-9-1-2-10(26-9)12(11)15(23)25/h1-2,5-6,9-12H,3-4H2,(H,21,22)/t9-,10+,11-,12+
SMILES: CCC1=CC=C[C@H]([C@H]1C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChI: InChI=1S/C10H16.3CO.Fe/c1-4-10-7-5-6-8(2)9(10)3;3*1-2;/h5-9H,4H2,1-3H3;;;;/t8-,9-;;;;/m1..../s1
SMILES: CC(C)(C)C1=CC(=CC(=C1)S(=O)(=O)O[C@H]([C@H]2C[C@@H]3CCN2C[C@@H]3C=C)C4=CC=NC5=CC=CC=C45)C(C)(C)C
InChI: InChI=1S/C33H42N2O3S/c1-8-22-21-35-16-14-23(22)17-30(35)31(28-13-15-34-29-12-10-9-11-27(28)29)38-39(36,37)26-19-24(32(2,3)4)18-25(20-26)33(5,6)7/h8-13,15,18-20,22-23,30-31H,1,14,16-17,21H2,2-7H3/t22-,23-,30+,31-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H](C(C(C)C)(F)F)OCOC
InChI: InChI=1S/C28H46F2O4/c1-16(2)28(29,30)25(34-15-33-6)17(3)20-7-8-21-19-14-24(32)23-13-18(31)9-11-27(23,5)22(19)10-12-26(20,21)4/h16-23,25,31H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23+,25+,26+,27+/m0/s1
SMILES: C[C@@H]1[C@H](CCC(O1)OC2CC(C3=C(C2O)OC4=C5C6=C(C7=C(C8=C(CC9(N(C8=O)CCO9)C)C=C7CC6OCO5)O)C(=C4C3=O)O)O)O
InChI: InChI=1S/C34H35NO13/c1-12-15(36)3-4-19(46-12)47-18-9-16(37)22-28(40)25-29(41)24-20-13(7-14-10-34(2)35(5-6-45-34)33(42)21(14)27(20)39)8-17-23(24)31(44-11-43-17)32(25)48-30(22)26(18)38/h7,12,15-19,26,36-39,41H,3-6,8-11H2,1-2H3/t12-,15+,16?,17?,18?,19?,26?,34?/m1/s1
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)O[C@H](C/C=C(\C)/CCC=C(C)C)[C@]3([C@@H](CCC4=C3OC=C4)[Hg]Cl)C
InChI: InChI=1S/C33H40NO3.ClH.Hg/c1-23(2)11-8-12-24(3)18-19-30(33(5)21-10-15-27-20-22-36-31(27)33)37-32(35)34-25(4)28-17-9-14-26-13-6-7-16-29(26)28;;/h6-7,9,11,13-14,16-18,20-22,25,30H,8,10,12,15,19H2,1-5H3,(H,34,35);1H;/q;;+1/p-1/b24-18+;;/t25-,30+,33+;;/m0../s1
SMILES: C1[C@H](C2=C(C3=C(C=C2[C@@H]4[C@H](OC5=CC(=CC1=C45)O)C6=CC=C(C=C6)O)O[C@@H]([C@H]3C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)O)C9=C(C=C(C=C9)O)O
InChI: InChI=1S/C42H32O10/c43-23-5-1-19(2-6-23)41-36(21-11-26(46)15-27(47)12-21)39-34(52-41)18-31-37(40(39)50)30(29-10-9-25(45)16-32(29)49)14-22-13-28(48)17-33-35(22)38(31)42(51-33)20-3-7-24(44)8-4-20/h1-13,15-18,30,36,38,41-50H,14H2/t30-,36-,38-,41+,42+/m0/s1
SMILES: C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CCN(C3)C(=N)C)C(=O)O)F
InChI: InChI=1S/C14H18FN3O3S2/c1-6(15)9-11(19)18-10(13(20)21)14(23-12(9)18)22-8-3-4-17(5-8)7(2)16/h6,8-9,12,16H,3-5H2,1-2H3,(H,20,21)/t6-,8-,9-,12+/m0/s1
SMILES: CO[C@@]12CCC[C@@H]1[C@H]([C@@H]3[C@@H](C(=O)N3O2)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C22H23NO3/c1-25-22-14-8-13-17(22)18(15-9-4-2-5-10-15)20-19(21(24)23(20)26-22)16-11-6-3-7-12-16/h2-7,9-12,17-20H,8,13-14H2,1H3/t17-,18-,19+,20-,22-/m1/s1
SMILES: CCC[C@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C
InChI: InChI=1S/C17H19N5O/c1-3-4-15-14-8-22(11(2)23)6-5-12(14)13(7-18)16(21)17(15,9-19)10-20/h5,14-15H,3-4,6,8,21H2,1-2H3/t14-,15-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@@H]2C(=O)NN=CC3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C22H23F3N2O/c1-21(2,3)16-10-6-15(7-11-16)18-12-19(18)20(28)27-26-13-14-4-8-17(9-5-14)22(23,24)25/h4-11,13,18-19H,12H2,1-3H3,(H,27,28)/t18-,19+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]1C6=C(C=CC(=C6)Br)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C31H25BrN4O5/c1-31-23(27(38)34(28(31)39)19-8-4-2-5-9-19)17-24-21(26(31)22-16-18(32)12-13-25(22)37)14-15-33-29(40)35(30(41)36(24)33)20-10-6-3-7-11-20/h2-14,16,23-24,26,37H,15,17H2,1H3/t23-,24+,26+,31+/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2NC(=O)CC[N+](C)(C)CC(=O)OC3=CC=CC=C3
InChI: InChI=1S/C23H34N2O3/c1-22(2)17-11-13-23(22,3)19(15-17)24-20(26)12-14-25(4,5)16-21(27)28-18-9-7-6-8-10-18/h6-10,17,19H,11-16H2,1-5H3/p+1/t17-,19-,23+/m0/s1
SMILES: C[Si](C)(C)/C(=C/1\[C@H]([C@@]2(C1=CCCC2)O)O)/C3=CC=CO3
InChI: InChI=1S/C16H22O3Si/c1-20(2,3)14(12-8-6-10-19-12)13-11-7-4-5-9-16(11,18)15(13)17/h6-8,10,15,17-18H,4-5,9H2,1-3H3/b14-13-/t15-,16-/m1/s1
SMILES: CC(=O)OC\1[C@H]2[C@H](C(=O)N2S/C1=C(\C3=CC=CC=C3)/I)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C22H15IN2O5S/c1-11(26)30-18-16-17(24-20(27)13-9-5-6-10-14(13)21(24)28)22(29)25(16)31-19(18)15(23)12-7-3-2-4-8-12/h2-10,16-18H,1H3/b19-15+/t16-,17-,18?/m1/s1
SMILES: C[C@@]1([C@H]2C3[C@H](C(C(=O)C3[C@@](C14CC4)(O2)C)(C)C)Br)O
InChI: InChI=1S/C15H21BrO3/c1-12(2)9(16)7-8(10(12)17)14(4)15(5-6-15)13(3,18)11(7)19-14/h7-9,11,18H,5-6H2,1-4H3/t7?,8?,9-,11-,13+,14+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)C5=CC=C(C=C5)/C=N/OC(=O)SC
InChI: InChI=1S/C30H37NO5S/c1-29-16-25(20-7-5-19(6-8-20)17-31-36-28(33)37-4)27-23-12-10-22(32)15-21(23)9-11-24(27)26(29)13-14-30(29,35-3)18-34-2/h5-8,15,17,24-26H,9-14,16,18H2,1-4H3/b31-17+/t24-,25+,26-,29-,30+/m0/s1
SMILES: CS(=O)(=O)/C=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C10H18O8S/c1-19(15,16)4-2-3-17-10-9(14)8(13)7(12)6(5-11)18-10/h2,4,6-14H,3,5H2,1H3/b4-2+/t6-,7-,8+,9-,10-/m1/s1
SMILES: CC[C@]12CCCN3[C@]14[C@]5(CC3=O)C=CSC5[C@](C2=O)(O4)C(=O)OCC
InChI: InChI=1S/C18H21NO5S/c1-3-15-6-5-8-19-11(20)10-16-7-9-25-13(16)17(12(15)21,14(22)23-4-2)24-18(15,16)19/h7,9,13H,3-6,8,10H2,1-2H3/t13?,15-,16+,17+,18-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]([C@](CC3=C2C(=O)NN3)(C)O)C(=O)OC
InChI: InChI=1S/C17H20N2O4/c1-9-4-6-10(7-5-9)12-13-11(18-19-15(13)20)8-17(2,22)14(12)16(21)23-3/h4-7,12,14,22H,8H2,1-3H3,(H2,18,19,20)/t12-,14+,17+/m0/s1
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@]4([C@@H]1OC(O4)(C)C)C)OC(=O)C)C(=O)N[C@H]3CC5=CC=CC=C5)C)OCOCC[Si](C)(C)C
InChI: InChI=1S/C39H57NO7Si/c1-25-15-14-18-30-34(44-24-43-21-22-48(8,9)10)27(3)26(2)33-31(23-29-16-12-11-13-17-29)40-36(42)39(30,33)32(45-28(4)41)19-20-38(7)35(25)46-37(5,6)47-38/h11-14,16-20,25-26,30-35H,3,15,21-24H2,1-2,4-10H3,(H,40,42)/b18-14+,20-19+/t25-,26+,30-,31-,32+,33-,34+,35+,38+,39+/m0/s1
SMILES: CC(=O)CCCC(=O)N(CCC1=C(C=CC(=C1)OC)OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C33H42N2O10/c1-19(38)6-5-7-28(39)35(12-10-21-16-22(42-2)8-9-26(21)43-3)25-17-24(33(41)34-11-13-36)29-23-14-20(18-37)15-27(44-4)31(23)45-32(29)30(25)40/h8-9,14-17,25,29-30,32,36-37,40H,5-7,10-13,18H2,1-4H3,(H,34,41)/t25-,29+,30+,32+/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@H]1[C@@H]3[C@@H](CC[C@@]2(C)O)[C@@H](C(=O)O3)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H38O4Si/c1-12-14-9-10-21(6,23)15-11-16(25-26(7,8)20(3,4)5)13(2)17(15)18(14)24-19(12)22/h12-18,23H,9-11H2,1-8H3/t12-,13+,14-,15+,16-,17-,18-,21+/m0/s1
SMILES: C[N+]12CCC3=C[C@@H]([C@H]([C@H]([C@@H]31)C4=CC5=C(C=C4C2)OCO5)O)O
InChI: InChI=1S/C17H20NO4/c1-18-3-2-9-4-12(19)17(20)15(16(9)18)11-6-14-13(21-8-22-14)5-10(11)7-18/h4-6,12,15-17,19-20H,2-3,7-8H2,1H3/q+1/t12-,15-,16+,17+,18?/m0/s1
SMILES: CC1=CC[C@@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C#N)Cl
InChI: InChI=1S/C16H13ClN2O2/c1-9-2-5-12-13(6-9)16(21)19(15(12)20)11-4-3-10(8-18)14(17)7-11/h2-4,7,12-13H,5-6H2,1H3/t12-,13+/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=C4CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7CCC[C@H]7COC
InChI: InChI=1S/C44H49N3O8/c1-29-39(25-46-22-8-12-36(46)28-52-2)54-43(55-41(29)33-16-14-30(26-48)15-17-33)34-20-18-32(19-21-34)37-13-7-6-11-35(37)24-47-40(49)23-38(42(47)50)45-44(51)53-27-31-9-4-3-5-10-31/h3-7,9-11,13-21,29,36,38-39,41,43,48H,8,12,22-28H2,1-2H3,(H,45,51)/t29-,36+,38?,39+,41+,43+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.C1=NC(=C2C(=N1)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O
InChI: InChI=1S/2C10H12ClN5O4.H2O/c2*11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,13,14);1H2/t2*3-,5-,6-,9-;/m11./s1
SMILES: CCOC(=O)C1=C(N=C2C[C@H]([C@@H](C(=O)[C@@H]2[C@@H]1C3=CC=CC=C3)C(=O)OC)C)C
InChI: InChI=1S/C22H25NO5/c1-5-28-22(26)17-13(3)23-15-11-12(2)16(21(25)27-4)20(24)19(15)18(17)14-9-7-6-8-10-14/h6-10,12,16,18-19H,5,11H2,1-4H3/t12-,16+,18-,19+/m1/s1
SMILES: CCCCCC/C=C\CCC[14CH2]O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H58O18/c1-9-10-11-12-13-14-15-16-17-18-19-46-37-35(52-27(7)44)34(51-26(6)43)32(30(54-37)21-48-23(3)40)56-38-36(53-28(8)45)33(50-25(5)42)31(49-24(4)41)29(55-38)20-47-22(2)39/h14-15,29-38H,9-13,16-21H2,1-8H3/b15-14-/t29-,30-,31-,32-,33+,34+,35-,36-,37-,38-/m1/s1/i19+2
SMILES: C[C@@H]1[C@@H](C[C@@H]2C3=CC=CC=C3OCCOCCOC4=CC=CC=C4[C@@H]1[NH2+]2)O
InChI: InChI=1S/C22H27NO4/c1-15-19(24)14-18-16-6-2-4-8-20(16)26-12-10-25-11-13-27-21-9-5-3-7-17(21)22(15)23-18/h2-9,15,18-19,22-24H,10-14H2,1H3/p+1/t15-,18-,19-,22-/m1/s1
SMILES: CC1=C2[C@H]([C@H]3[C@@]4([C@H](C[C@@H]5[C@]([C@H]4[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO5)OC(=O)C)OC(O3)(C)C)C)O
InChI: InChI=1S/C48H55NO12/c1-26-32(57-44(55)38(52)36(28-17-11-8-12-18-28)49-42(53)29-19-13-9-14-20-29)23-31-39(58-43(54)30-21-15-10-16-22-30)40-47(7)33(24-34-48(40,25-56-34)59-27(2)50)60-46(5,6)61-41(47)37(51)35(26)45(31,3)4/h8-22,31-34,36-41,51-52H,23-25H2,1-7H3,(H,49,53)/t31-,32-,33-,34+,36-,37+,38+,39+,40-,41-,47+,48-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N=C3N2C(=CS3)C4=CC5=C(C=C4)OCCCO5
InChI: InChI=1S/C18H20N2O2S/c1-2-5-14-13(4-1)19-18-20(14)15(11-23-18)12-6-7-16-17(10-12)22-9-3-8-21-16/h6-7,10-11,13-14H,1-5,8-9H2/t13-,14-/m1/s1
SMILES: CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N
InChI: InChI=1S/C19H32N2O5.C6H14N4O2/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;7-4(5(11)12)2-1-3-10-6(8)9/h12-16,20H,4-11H2,1-3H3,(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t12-,13-,14-,15-,16-;4-/m00/s1