EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)NC1=CN=CN1[C@H]2[C@H]3[C@@H]([C@H](O2)COC(=O)C)OC(O3)(C)C
InChI: InChI=1S/C15H21N3O6/c1-8(19)17-11-5-16-7-18(11)14-13-12(23-15(3,4)24-13)10(22-14)6-21-9(2)20/h5,7,10,12-14H,6H2,1-4H3,(H,17,19)/t10-,12-,13-,14-/m1/s1
SMILES: CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O4S/c1-30(27,28)25(15-23(26)24-22-14-18-7-8-19(22)13-18)20-9-11-21(12-10-20)29-16-17-5-3-2-4-6-17/h2-6,9-12,18-19,22H,7-8,13-16H2,1H3,(H,24,26)/t18-,19+,22-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C3=CC=C(C=C3)[N+](=O)[O-])C=C
InChI: InChI=1S/C17H16N2O4S/c1-3-16-17(13-6-8-14(9-7-13)19(20)21)18(16)24(22,23)15-10-4-12(2)5-11-15/h3-11,16-17H,1H2,2H3/t16-,17-,18?/m1/s1
SMILES: CC1=CC=CC=C1CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C34H39N3O5/c1-22-10-5-6-14-25(22)21-35-33(41)28-16-9-17-37(28)34(42)30(39)20-26(18-23-11-3-2-4-12-23)32(40)36-31-27-15-8-7-13-24(27)19-29(31)38/h2-8,10-15,26,28-31,38-39H,9,16-21H2,1H3,(H,35,41)(H,36,40)/t26-,28+,29-,30+,31+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O)O)O)O)C)O)O
InChI: InChI=1S/C31H36O13/c1-12-24(35)17(32)9-21(43-12)44-28-13(2)42-19(8-18(28)33)14-4-5-15-22(25(14)36)26(37)16-6-7-30(40)11-29(3,39)10-20(34)31(30,41)23(16)27(15)38/h4-7,12-13,17-19,21,24,28,32-33,35-36,39-41H,8-11H2,1-3H3/t12-,13-,17-,18-,19-,21+,24-,28-,29+,30+,31+/m1/s1
SMILES: CC(=NOC[C@H]1[C@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC)/C2=CSC(=N2)N)C
InChI: InChI=1S/C13H18N6O7S2/c1-6(2)17-26-4-8-10(12(21)19(8)28(22,23)24)16-11(20)9(18-25-3)7-5-27-13(14)15-7/h5,8,10H,4H2,1-3H3,(H2,14,15)(H,16,20)(H,22,23,24)/b18-9+/t8-,10+/m0/s1
SMILES: CC1(O[C@H]2[C@H](OC([C@]2(O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC)CI)C
InChI: InChI=1S/C26H35IO5Si/c1-24(2,3)33(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26-22(31-25(4,5)32-26)21(17-27)30-23(26)28-6/h7-16,21-23H,17-18H2,1-6H3/t21-,22+,23?,26+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(O/C=C/C(CO2)C4=CC5=CC=CC=C5N=C4)C)C)C)(C)O
InChI: InChI=1S/C44H63N3O10/c1-12-35-44(9,52)40-26(4)36(46-29(7)48)24(2)21-43(8,54-18-17-31(23-53-40)32-20-30-15-13-14-16-33(30)45-22-32)39(27(5)37(49)28(6)41(51)56-35)57-42-38(50)34(47(10)11)19-25(3)55-42/h13-18,20,22,24-28,31,34-35,38-40,42,50,52H,12,19,21,23H2,1-11H3/b18-17+,46-36?/t24-,25-,26+,27+,28?,31?,34+,35-,38-,39-,40-,42+,43+,44-/m1/s1
SMILES: CC(C)CCC[C@@]1([C@H](C[C@]2(C(=O)C(C(=O)[C@@]1(C2=O)C(=O)C(C)C)CCC(C)C)CCC(C)C)CCC(C)C)C
InChI: InChI=1S/C35H60O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h22-28H,12-21H2,1-11H3/t27-,28?,33+,34-,35+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C35H34F5N5O4/c1-20-25(18-44-13-15-45(16-14-44)35-41-11-2-12-42-35)48-34(49-32(20)23-7-5-22(19-46)6-8-23)24-9-3-21(4-10-24)17-43-33(47)26-27(36)29(38)31(40)30(39)28(26)37/h2-12,20,25,32,34,46H,13-19H2,1H3,(H,43,47)/t20-,25+,32+,34+/m1/s1
SMILES: C[C@@]12C[C@]3(CC[C@H]4[C@]([C@@H]3CC1=O)(C=C(C(=O)C4(C)C)O)C)C=C2
InChI: InChI=1S/C20H26O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,10,13-14,21H,5-6,9,11H2,1-4H3/t13-,14+,18-,19-,20+/m1/s1
SMILES: CN1[C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)NC2=O
InChI: InChI=1S/C12H13N3O3/c1-15-10-8(11(17)13-12(10)18)9(14-15)6-2-4-7(16)5-3-6/h2-5,8-10,14,16H,1H3,(H,13,17,18)/t8-,9+,10+/m1/s1
SMILES: C1CCC(C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)F
InChI: InChI=1S/C25H20FNO5/c26-14-11-9-13(10-12-14)20-18-19(24(31)27(23(18)30)15-5-1-2-6-15)25(32-20)21(28)16-7-3-4-8-17(16)22(25)29/h3-4,7-12,15,18-20H,1-2,5-6H2/t18-,19-,20+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4
InChI: InChI=1S/C23H31N3O4/c27-21(9-10-26-22(28)19-7-3-4-8-20(19)23(26)29)24-15-17-5-1-2-6-18(17)16-25-11-13-30-14-12-25/h1-2,5-6,19-20H,3-4,7-16H2,(H,24,27)/p+1/t19-,20+
SMILES: CC1(O[C@@H]2[C@H](O[C@@H]3[C@@H]([C@@H]2O1)OC(O3)(C)C)CNC(=O)C4=CC=CO4)C
InChI: InChI=1S/C17H23NO7/c1-16(2)22-11-10(8-18-14(19)9-6-5-7-20-9)21-15-13(12(11)23-16)24-17(3,4)25-15/h5-7,10-13,15H,8H2,1-4H3,(H,18,19)/t10-,11-,12-,13-,15+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H](C/C=C\C(=O)CC[C@@]1([C@H](C[C@H]2[C@@H](O1)C[C@@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C)OC)COCC5=CC=C(C=C5)OC
InChI: InChI=1S/C48H70O8Si2/c1-10-57(11-2,12-3)56-41(35-52-34-38-26-28-40(50-8)29-27-38)21-19-20-39(49)30-31-48(51-9)37(4)32-45-46(55-48)33-42(54-45)36-53-58(47(5,6)7,43-22-15-13-16-23-43)44-24-17-14-18-25-44/h13-20,22-29,37,41-42,45-46H,10-12,21,30-36H2,1-9H3/b20-19-/t37-,41-,42+,45-,46-,48+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12-,13?,14+/m1/s1
SMILES: CCO[C@H]1CC[C@@H]([C@]2(N1S(=O)(=O)C3=CC=C(C=C3)C)CCCC2=O)Br
InChI: InChI=1S/C18H24BrNO4S/c1-3-24-17-11-10-15(19)18(12-4-5-16(18)21)20(17)25(22,23)14-8-6-13(2)7-9-14/h6-9,15,17H,3-5,10-12H2,1-2H3/t15-,17-,18+/m0/s1
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)C
InChI: InChI=1S/C20H27NO5/c1-4-25-20(24)18-11(2)19(21-12(18)3)16(22)10-26-17(23)9-15-8-13-5-6-14(15)7-13/h13-15,21H,4-10H2,1-3H3/t13-,14+,15+/m0/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@H]3CCCN3O2)C(=O)O1)OCC4=CC=CC=C4
InChI: InChI=1S/C16H19NO4/c1-16(19-10-11-6-3-2-4-7-11)14-13(15(18)20-16)12-8-5-9-17(12)21-14/h2-4,6-7,12-14H,5,8-10H2,1H3/t12-,13-,14+,16+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](C2(Cl)Cl)C(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H12Cl3NO/c17-11-7-4-8-12(9-11)20-15(21)14-13(16(14,18)19)10-5-2-1-3-6-10/h1-9,13-14H,(H,20,21)/t13-,14-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](CCC2=CC=CC=C2)N=[N+]=[N-])/C=C/CC3=CC=CC=C3)C
InChI: InChI=1S/C23H27N3O2/c1-23(2)27-21(15-9-14-18-10-5-3-6-11-18)22(28-23)20(25-26-24)17-16-19-12-7-4-8-13-19/h3-13,15,20-22H,14,16-17H2,1-2H3/b15-9+/t20-,21+,22+/m1/s1
SMILES: C/C(=N/NC(=O)C1=CC=CC=C1O)/C2=CC=C(C=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H23N3O4/c1-14(24-25-21(28)19-8-4-5-9-20(19)27)15-10-12-16(13-11-15)26-22(29)17-6-2-3-7-18(17)23(26)30/h4-5,8-13,17-18,27H,2-3,6-7H2,1H3,(H,25,28)/b24-14-/t17-,18-/m1/s1
SMILES: CS(=O)(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)O)O)O)O)Cl
InChI: InChI=1S/C27H34ClNO13S/c1-43(35,36)29-16-9-13(7-8-15(16)28)11-37-26-21(33)19(31)23(17(10-30)39-26)42-27-22(34)20(32)24-18(40-27)12-38-25(41-24)14-5-3-2-4-6-14/h2-9,17-27,29-34H,10-12H2,1H3/t17-,18-,19-,20-,21-,22-,23-,24-,25?,26-,27-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C16H16N2O7/c19-8-10-12(21)13(22)15(25-10)17-7-6-11(20)18(16(17)24)14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,19,21-22H,8H2/t10-,12-,13-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC4=CC=C(C=C4)F
InChI: InChI=1S/C18H15FN4O2/c1-11-2-8-14(9-3-11)23-17(24)15-16(18(23)25)22(21-20-15)10-12-4-6-13(19)7-5-12/h2-9,15-16H,10H2,1H3/t15-,16-/m0/s1
SMILES: C=C1[C@@H]([C@H](N2C(=NC(=N2)C(F)(F)F)N1)C3=CC=CS3)C(=O)NC4=CN=CC=C4
InChI: InChI=1S/C17H13F3N6OS/c1-9-12(14(27)23-10-4-2-6-21-8-10)13(11-5-3-7-28-11)26-16(22-9)24-15(25-26)17(18,19)20/h2-8,12-13H,1H2,(H,23,27)(H,22,24,25)/t12-,13+/m0/s1
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N[C@H]2CCCC[C@H]2C
InChI: InChI=1S/C20H27NO5/c1-3-18(22)15-8-10-16(11-9-15)25-13-20(24)26-12-19(23)21-17-7-5-4-6-14(17)2/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,21,23)/t14-,17+/m1/s1
SMILES: CN(CC=C)C(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=C4
InChI: InChI=1S/C21H27N5O/c1-3-10-24(2)21(27)19-14-25-11-9-17(19)12-18(25)13-26-15-20(22-23-26)16-7-5-4-6-8-16/h3-8,15,17-19H,1,9-14H2,2H3/p+1/t17-,18-,19+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C[C@@]([C@H]2C(=O)OC(C)C)(C)O)C(=O)OC(C)C
InChI: InChI=1S/C23H32O6/c1-7-15-8-10-16(11-9-15)18-19(21(25)28-13(2)3)17(24)12-23(6,27)20(18)22(26)29-14(4)5/h8-11,13-14,18-20,27H,7,12H2,1-6H3/t18-,19-,20-,23-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]3[C@@H](CC(=O)[C@H]2O)C(=O)OC3=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26O15/c1-7(23)31-6-13-16(32-8(2)24)18(33-9(3)25)19(34-10(4)26)22(35-13)36-17-14-11(5-12(27)15(17)28)20(29)37-21(14)30/h11,13-19,22,28H,5-6H2,1-4H3/t11-,13-,14-,15-,16-,17-,18+,19-,22+/m1/s1
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]
InChI: InChI=1S/C20H28N2O5/c1-12(2)14-9-8-13(3)10-17(14)27-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(25)26/h8-10,12,15-16H,4-7,11H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t15-,16+/m0/s1
SMILES: C1=C(N=C(S1)[C@H]2[C@@H]([C@H]([C@H](O2)CO)F)O)C(=O)N
InChI: InChI=1S/C9H11FN2O4S/c10-5-4(1-13)16-7(6(5)14)9-12-3(2-17-9)8(11)15/h2,4-7,13-14H,1H2,(H2,11,15)/t4-,5+,6-,7-/m1/s1
SMILES: CC[C@@H]1C(=CC[C@@H](O1)/C(=C/[C@H](C)/C=C/[C@H]2[C@H]([C@@H]2/C=C/[C@H]3[C@@H]([C@H](C[C@H](O3)CCO)N(C)C)O)C)/C)C
InChI: InChI=1S/C30H49NO4/c1-8-27-20(3)10-13-28(35-27)21(4)17-19(2)9-11-24-22(5)25(24)12-14-29-30(33)26(31(6)7)18-23(34-29)15-16-32/h9-12,14,17,19,22-30,32-33H,8,13,15-16,18H2,1-7H3/b11-9+,14-12+,21-17+/t19-,22-,23-,24+,25+,26+,27-,28-,29+,30-/m1/s1
SMILES: CCC1=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=C6O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C40H33ClN2O5/c1-2-23-15-17-26(18-16-23)42-36(45)30-20-19-28-31(34(30)38(42)47)22-32-37(46)43(27-12-8-11-25(41)21-27)39(48)40(32,24-9-4-3-5-10-24)35(28)29-13-6-7-14-33(29)44/h3-19,21,30-32,34-35,44H,2,20,22H2,1H3/t30-,31+,32-,34-,35+,40+/m0/s1
SMILES: COC(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=S)NC3=CC=CC(=C3)C#N
InChI: InChI=1S/C17H19N3O5S/c1-22-14(21)9-23-13-8-25-15-12(7-24-16(13)15)20-17(26)19-11-4-2-3-10(5-11)6-18/h2-5,12-13,15-16H,7-9H2,1H3,(H2,19,20,26)/t12-,13+,15+,16+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H]1C=C(C[C@H]([C@@H]1O)O)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N)[NH2+]C
InChI: InChI=1S/C23H34N4O5/c1-13(2)9-18(25-3)23(32)26-16-11-15(12-19(28)20(16)29)22(31)27-17(21(24)30)10-14-7-5-4-6-8-14/h4-8,11,13,16-20,25,28-29H,9-10,12H2,1-3H3,(H2,24,30)(H,26,32)(H,27,31)/p+1/t16-,17-,18+,19-,20-/m1/s1
SMILES: C[C@@H](C(=O)NC1=NN=C(S1)C2CC2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C16H18N4O3S/c1-8(12(21)17-16-19-18-13(24-16)9-6-7-9)20-14(22)10-4-2-3-5-11(10)15(20)23/h2-3,8-11H,4-7H2,1H3,(H,17,19,21)/t8-,10-,11-/m0/s1
SMILES: CO[C@@H]1C[C@@H]2[C@]3([C@@H]4[C@H]1O4)C(CN2CC5=C(C6=C(C=C35)OCO6)OC)O
InChI: InChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12-,13?,16+,17+,18+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)[NH+](C)CC(=O)NC2=CC=CC=C2SC
InChI: InChI=1S/C21H33N3O2S/c1-14-9-8-11-17(15(14)2)23-21(26)16(3)24(4)13-20(25)22-18-10-6-7-12-19(18)27-5/h6-7,10,12,14-17H,8-9,11,13H2,1-5H3,(H,22,25)(H,23,26)/p+1/t14-,15-,16-,17-/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@H]4C[C@H]4C5=CC(=CS5)Br)C
InChI: InChI=1S/C18H22BrNO3S2/c1-17(2)10-3-4-18(17)9-25(22,23)20(15(18)5-10)16(21)13-7-12(13)14-6-11(19)8-24-14/h6,8,10,12-13,15H,3-5,7,9H2,1-2H3/t10-,12-,13-,15-,18-/m1/s1
SMILES: CCCCCC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)OCC(Cl)(Cl)Cl)O)COC(=O)OCC2=CC=CC=C2)OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C37H43Cl3NO13P/c1-2-3-7-20-30(42)53-33-31(41-35(44)49-25-37(38,39)40)34(43)52-29(24-48-36(45)47-21-26-14-8-4-9-15-26)32(33)54-55(46,50-22-27-16-10-5-11-17-27)51-23-28-18-12-6-13-19-28/h4-6,8-19,29,31-34,43H,2-3,7,20-25H2,1H3,(H,41,44)/t29-,31-,32-,33-,34?/m1/s1
SMILES: C#C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)C3=CC=CC=C3C(=O)[O-]
InChI: InChI=1S/C18H20N2O3/c1-2-12-11-20-8-7-13(12)9-14(20)10-19-17(21)15-5-3-4-6-16(15)18(22)23/h1,3-6,12-14H,7-11H2,(H,19,21)(H,22,23)/t12-,13-,14+/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)CN5C(=O)C6=CC=CC=C6C5=O)CSC7=CC=C(C=C7)C(=O)O
InChI: InChI=1S/C41H35NO7S/c1-25-36(24-50-33-19-17-30(18-20-33)40(46)47)48-41(49-37(25)29-11-9-26(23-43)10-12-29)31-15-13-28(14-16-31)32-6-4-5-27(21-32)22-42-38(44)34-7-2-3-8-35(34)39(42)45/h2-21,25,36-37,41,43H,22-24H2,1H3,(H,46,47)/t25-,36+,37+,41+/m0/s1
SMILES: CCC[C@H]1[C@H]([NH2+][C@@H](C[C@@]1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26-,27+,28+/m0/s1
SMILES: C/C=C\[C@]12CC[C@@]3(C[C@@H](C[C@H]3[C@@H]1CCC4=C2C=CC(=C4)O)O)C
InChI: InChI=1S/C21H28O2/c1-3-8-21-10-9-20(2)13-16(23)12-19(20)18(21)6-4-14-11-15(22)5-7-17(14)21/h3,5,7-8,11,16,18-19,22-23H,4,6,9-10,12-13H2,1-2H3/b8-3-/t16-,18+,19+,20-,21-/m1/s1
SMILES: C[C@@H]1CN([C@@H]([C@@H]([C@@H]1CCNCC2=CC=C(C=C2)OC)CC3=CC=CC=C3)C)C
InChI: InChI=1S/C25H36N2O/c1-19-18-27(3)20(2)25(16-21-8-6-5-7-9-21)24(19)14-15-26-17-22-10-12-23(28-4)13-11-22/h5-13,19-20,24-26H,14-18H2,1-4H3/t19-,20-,24-,25+/m1/s1
SMILES: CCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)Br
InChI: InChI=1S/C16H19BrN2O3/c1-3-4-9-22-15(20)13-10(2)18-16(21)19-14(13)11-5-7-12(17)8-6-11/h5-8,13-14H,2-4,9H2,1H3,(H2,18,19,21)/t13-,14+/m1/s1
SMILES: C[C@@H]1[C@H]2C[C@H]3CC(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C1C=CC(=C4O)NC(=O)CN(C)C)O)C(=O)N
InChI: InChI=1S/C24H27N3O8/c1-9-11-4-5-13(26-15(29)8-27(2)3)19(30)16(11)20(31)17-12(9)6-10-7-14(28)18(23(25)34)22(33)24(10,35)21(17)32/h4-5,9-10,12,17-18,30,35H,6-8H2,1-3H3,(H2,25,34)(H,26,29)/t9-,10-,12+,17?,18?,24-/m0/s1
SMILES: CC[NH+](CC(=O)N[C@@H]1CCC[C@@H]([C@@H]1C)C)CC(=O)NC2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C22H34N4O3/c1-5-26(14-22(29)25-20-8-6-7-15(2)16(20)3)13-21(28)24-19-11-9-18(10-12-19)23-17(4)27/h9-12,15-16,20H,5-8,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/p+1/t15-,16-,20+/m0/s1
SMILES: C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]5[C@@H]2[C@H]6[C@H]3[C@@H]4[C@@]5(O6)NCC7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C18H18N2O3/c21-20(22)8-3-1-2-7(4-8)6-19-18-15-10-5-9-11-12(10)16(18)14(11)17(23-18)13(9)15/h1-4,9-17,19H,5-6H2/t9-,10+,11-,12+,13+,14+,15+,16+,17-,18+/m0/s1
SMILES: COC1=C(C=C2CCN3C[C@@H]([C@H](C[C@H]3C2=C1)N)C4=CC=CC=C4)OS(=O)(=O)C
InChI: InChI=1S/C21H26N2O4S/c1-26-20-11-16-15(10-21(20)27-28(2,24)25)8-9-23-13-17(18(22)12-19(16)23)14-6-4-3-5-7-14/h3-7,10-11,17-19H,8-9,12-13,22H2,1-2H3/t17-,18+,19+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)NC4=O)O
InChI: InChI=1S/C22H19BrCl2N2O6/c1-33-14-6-9(2-5-13(14)28)16-10-3-4-11-15(18(30)26-17(11)29)12(10)7-21(24)19(31)27(8-23)20(32)22(16,21)25/h2-3,5-6,11-12,15-16,28H,4,7-8H2,1H3,(H,26,29,30)/t11-,12+,15-,16-,21+,22-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H17NO5/c17-13(9-5-1-2-6-10(9)14(18)19)16-12-8-4-3-7-11(12)15(20)21/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t9-,10-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)Br)Cl
InChI: InChI=1S/C15H13BrClNO2/c16-9-3-4-11(10(17)6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h3-4,6-8,12-13H,1-2,5H2/t7-,8+,12-,13+
SMILES: COC1=CC=C(C=C1)CN2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)CCC(=O)O
InChI: InChI=1S/C17H20N2O6S2/c1-25-12-4-2-11(3-5-12)8-19-13-9-27(23,24)10-14(13)26-17(19)18-15(20)6-7-16(21)22/h2-5,13-14H,6-10H2,1H3,(H,21,22)/t13-,14+/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC(=C(C(=C3)OC)OC)OC)(C)C(=O)OCC
InChI: InChI=1S/C21H28N2O7/c1-7-23-18(24)14-15(19(23)25)21(3,20(26)30-8-2)22-16(14)11-9-12(27-4)17(29-6)13(10-11)28-5/h9-10,14-16,22H,7-8H2,1-6H3/p+1/t14-,15+,16-,21-/m1/s1
SMILES: CCCCCCCCCCC[C@H](CCO)OC(=O)C[C@@H](CCCCCCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O
InChI: InChI=1S/C40H76O12/c1-5-7-9-11-13-15-17-19-21-23-30(25-26-41)50-32(42)27-31(24-22-20-18-16-14-12-10-8-6-2)51-40-38(36(46)34(44)29(4)49-40)52-39-37(47)35(45)33(43)28(3)48-39/h28-31,33-41,43-47H,5-27H2,1-4H3/t28-,29-,30+,31+,33-,34-,35+,36+,37+,38+,39-,40-/m0/s1
SMILES: C=CCOC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCOCCO)C(=O)C6=CC=C(C=C6)C#N)OCC=C
InChI: InChI=1S/C47H61N3O10/c1-3-24-56-36-18-19-41-39(30-36)44-37(12-6-9-22-52)35(11-5-8-21-51)29-38-40(49-60-43-13-7-10-26-57-43)31-42(47(59-41,45(38)44)58-25-4-2)50(20-27-55-28-23-53)46(54)34-16-14-33(32-48)15-17-34/h3-4,14-19,29-30,35,37,42-45,51-53H,1-2,5-13,20-28,31H2/t35-,37+,42-,43?,44+,45+,47+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CCCCCCC[C@H]5[C@@H]6CC[C@H]([C@H]7[C@]68[C@H](OC5=O)O[C@@](CC7)(OO8)C)C
InChI: InChI=1S/C35H52O10/c1-20-12-14-26-22(28(36)38-30-34(26)24(20)16-18-32(3,40-30)42-44-34)10-8-6-5-7-9-11-23-27-15-13-21(2)25-17-19-33(4)41-31(39-29(23)37)35(25,27)45-43-33/h20-27,30-31H,5-19H2,1-4H3/t20-,21-,22-,23+,24+,25+,26+,27+,30-,31-,32-,33-,34-,35-/m1/s1
SMILES: CCCC[C@H]1[C@]([C@H]2N(O1)[C@@H]3[C@H]4CC[C@@]([C@@H]3O2)(C4(C)C)C)(C)[N+](=O)[O-]
InChI: InChI=1S/C18H30N2O4/c1-6-7-8-12-18(5,20(21)22)15-19(24-12)13-11-9-10-17(4,14(13)23-15)16(11,2)3/h11-15H,6-10H2,1-5H3/t11-,12+,13-,14-,15+,17+,18+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H16BrNO2/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(22)23)6-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)/t14-,15+,18+/m1/s1
SMILES: CC(C)(C1=NC=C(O1)C2=CC=CC=N2)N3CCN([C@@H](C3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](COC6=CC=CC=C56)O)O
InChI: InChI=1S/C39H45F3N6O6/c1-38(2,37-44-20-33(54-37)29-13-8-9-15-43-29)48-17-16-47(30(22-48)36(52)45-24-39(40,41)42)21-27(49)19-26(18-25-10-4-3-5-11-25)35(51)46-34-28-12-6-7-14-32(28)53-23-31(34)50/h3-15,20,26-27,30-31,34,49-50H,16-19,21-24H2,1-2H3,(H,45,52)(H,46,51)/t26-,27+,30+,31-,34+/m1/s1
SMILES: C1[C@@H]([C@H]2C[C@]2([C@H]1OCC3=CC=CC=C3)COCC4=CC=CC=C4)N5C=NC6=C5N=C(N=C6Cl)Cl
InChI: InChI=1S/C26H24Cl2N4O2/c27-23-22-24(31-25(28)30-23)32(16-29-22)20-11-21(34-14-18-9-5-2-6-10-18)26(12-19(20)26)15-33-13-17-7-3-1-4-8-17/h1-10,16,19-21H,11-15H2/t19-,20+,21+,26+/m1/s1
SMILES: CC(C)(CCNS(=O)(=O)C)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=CC(=C4)NC
InChI: InChI=1S/C31H46N4O9S2/c1-31(2,14-15-33-45(4,38)39)21-35(46(40,41)24-12-8-11-23(18-24)32-3)19-27(36)26(17-22-9-6-5-7-10-22)34-30(37)44-28-20-43-29-25(28)13-16-42-29/h5-12,18,25-29,32-33,36H,13-17,19-21H2,1-4H3,(H,34,37)/t25-,26-,27+,28-,29+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)[C@H]2[C@H]3C(=NC4=CC=CC=C4S2)C5=CC=CC=C5C3=O
InChI: InChI=1S/C24H18N2O2S/c1-14(27)25-16-12-10-15(11-13-16)24-21-22(17-6-2-3-7-18(17)23(21)28)26-19-8-4-5-9-20(19)29-24/h2-13,21,24H,1H3,(H,25,27)/t21-,24-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)CC6=CC=CC=C6
InChI: InChI=1S/C30H27BrCl2N2O6/c31-16-35-27(39)29(32)14-21-18(24(30(29,33)28(35)40)19-8-4-5-9-22(19)41-13-12-36)10-11-20-23(21)26(38)34(25(20)37)15-17-6-2-1-3-7-17/h1-10,20-21,23-24,36H,11-16H2/t20-,21+,23-,24+,29+,30-/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@@H]1OC(=O)CCN=C(NC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)O4)O)O)OC(=O)C8=CC=CN8)(C(C)C)O)C)O)C)O
InChI: InChI=1S/C45H54N4O14/c1-26(2)42(56)34(62-33(51)30-17-12-21-46-30)43(57)38(4)25-41(55)39(42,5)45(43,58)44(63-41)32(27(3)18-20-40(38,44)54)61-31(50)19-22-47-35(48-36(52)59-23-28-13-8-6-9-14-28)49-37(53)60-24-29-15-10-7-11-16-29/h6-17,21,26-27,32,34,46,54-58H,18-20,22-25H2,1-5H3,(H2,47,48,49,52,53)/t27-,32+,34+,38-,39+,40-,41-,42+,43+,44+,45+/m0/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O3S/c21-17(19-14-9-11-4-5-13(14)18-11)16-7-6-15(24-16)10-2-1-3-12(8-10)20(22)23/h1-3,6-8,11,13-14,18H,4-5,9H2,(H,19,21)/t11-,13+,14-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H44N2O5Si2/c1-16-13-25(21(27)24-20(16)26)19-12-17(14-28-31(8,9)22(2,3)4)18(30-19)15-29-32(10,11)23(5,6)7/h13,17-19H,12,14-15H2,1-11H3,(H,24,26,27)/t17-,18-,19?/m1/s1
SMILES: C[C@]12CC[C@](C1(C)C)([C@@H](C2=O)Br)C(=O)NC3=CC=C(C=C3)OC
InChI: InChI=1S/C18H22BrNO3/c1-16(2)17(3)9-10-18(16,13(19)14(17)21)15(22)20-11-5-7-12(23-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,20,22)/t13-,17-,18+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2CCCC2O)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C21H31NO3/c1-15-11-12-17(21(2,3)16-8-5-4-6-9-16)18(14-15)25-20(24)22-13-7-10-19(22)23/h4-6,8-9,15,17-19,23H,7,10-14H2,1-3H3/t15-,17-,18-,19?/m0/s1
SMILES: CN1C=CC=C1[C@H]2[C@@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5CCOCC5
InChI: InChI=1S/C26H29N3O2/c1-27-13-7-12-24(27)25-23(19-28-14-16-31-17-15-28)21-10-5-6-11-22(21)26(30)29(25)18-20-8-3-2-4-9-20/h2-13,23,25H,14-19H2,1H3/t23-,25-/m1/s1
SMILES: CC[C@](CO)([C@@H]1C[C@H]2[C@@]3(CCN2C(=O)OC(C)(C)C)C4=CC=CC=C4NC3=C1C(=O)OC)O
InChI: InChI=1S/C25H34N2O6/c1-6-24(31,14-28)16-13-18-25(11-12-27(18)22(30)33-23(2,3)4)15-9-7-8-10-17(15)26-20(25)19(16)21(29)32-5/h7-10,16,18,26,28,31H,6,11-14H2,1-5H3/t16-,18+,24+,25-/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[32P](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C15H21N5O18P2/c16-19-18-3-1-20(15(29)17-11(3)26)12-8(24)5(21)4(35-12)2-34-39(30,31)38-40(32,33)37-14-9(25)6(22)7(23)10(36-14)13(27)28/h1,4-10,12,14,21-25H,2H2,(H,27,28)(H,30,31)(H,32,33)(H,17,26,29)/t4-,5-,6+,7+,8-,9-,10+,12-,14-/m1/s1/i40+1
SMILES: CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=CC=CC(=C2C)C
InChI: InChI=1S/C20H27NO3/c1-5-14(3)24-20(23)17-11-7-6-10-16(17)19(22)21-18-12-8-9-13(2)15(18)4/h6-9,12,14,16-17H,5,10-11H2,1-4H3,(H,21,22)/t14-,16+,17+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2Br
InChI: InChI=1S/C17H22BrNO3/c1-11-7-3-6-10-15(11)19-16(20)12(2)22-17(21)13-8-4-5-9-14(13)18/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,19,20)/t11-,12+,15-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)I)OC(=O)C
InChI: InChI=1S/C29H29IO11/c1-11-28(40-13(3)32)16(30)8-19(39-11)41-18-10-29(37,12(2)31)9-15-21(18)27(36)23-22(25(15)34)24(33)14-6-5-7-17(38-4)20(14)26(23)35/h5-7,11,16,18-19,28,34,36-37H,8-10H2,1-4H3/t11-,16-,18-,19?,28-,29-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@](NC(=S)N2)(C(F)(F)F)O)C(=O)OCC)O
InChI: InChI=1S/C16H19F3N2O5S/c1-3-25-10-7-8(5-6-9(10)22)12-11(13(23)26-4-2)15(24,16(17,18)19)21-14(27)20-12/h5-7,11-12,22,24H,3-4H2,1-2H3,(H2,20,21,27)/t11-,12+,15-/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)NO)(C)C)O)C)O)C=C
InChI: InChI=1S/C21H33NO8/c1-7-18(4)10-12(24)21(27)19(5)11(23)8-9-17(2,3)14(19)13(29-16(26)22-28)15(25)20(21,6)30-18/h7,11,13-15,23,25,27-28H,1,8-10H2,2-6H3,(H,22,26)/t11-,13-,14-,15-,18-,19-,20+,21-/m0/s1
SMILES: CCCC[C@H]([C@@H]1C[C@H](C[C@H]1N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC)NC(=O)C
InChI: InChI=1S/C25H44N4O7/c1-10-11-12-18(26-15(2)30)17-13-16(20(31)34-9)14-19(17)27-21(28-22(32)35-24(3,4)5)29-23(33)36-25(6,7)8/h16-19H,10-14H2,1-9H3,(H,26,30)(H2,27,28,29,32,33)/t16-,17+,18-,19-/m1/s1
SMILES: CC(C)[Si]1(O[C@H]2[C@@H](O[C@@H]3CO[C@H](O[C@H]3[C@@H]2O[Si](O1)(C(C)C)C(C)C)C4=CC=CC=C4)CO)C(C)C
InChI: InChI=1S/C26H44O7Si2/c1-16(2)34(17(3)4)31-24-21(14-27)29-22-15-28-26(20-12-10-9-11-13-20)30-23(22)25(24)32-35(33-34,18(5)6)19(7)8/h9-13,16-19,21-27H,14-15H2,1-8H3/t21-,22+,23+,24-,25-,26+/m0/s1
SMILES: CCCCOC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4CCCC4)O)O
InChI: InChI=1S/C20H29N5O6/c1-2-3-8-29-20(28)30-9-13-15(26)16(27)19(31-13)25-11-23-14-17(21-10-22-18(14)25)24-12-6-4-5-7-12/h10-13,15-16,19,26-27H,2-9H2,1H3,(H,21,22,24)/t13-,15-,16-,19-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]([C@H]2CCO)O)C)OCOCCOC
InChI: InChI=1S/C24H46O5/c1-17(2)7-6-8-18(3)20-15-22(29-16-28-14-13-27-5)23-19(10-12-25)21(26)9-11-24(20,23)4/h17-23,25-26H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@]5(C4CCCC5(C)C)C)C)C)C
InChI: InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-40(47)48-39-29-31-43(6)37(42(39,4)5)28-32-46(9)38(43)27-26-36-35-24-23-30-41(2,3)44(35,7)33-34-45(36,46)8/h26,35,37-39H,10-25,27-34H2,1-9H3/t35?,37-,38+,39-,43-,44-,45+,46+/m0/s1