EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C(C[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC)C
InChI: InChI=1S/C17H19NO3/c1-10-7-14-15(8-11(10)2)17(20)18(16(14)19)12-5-4-6-13(9-12)21-3/h4-6,9,14-15H,7-8H2,1-3H3/t14-,15-/m0/s1
SMILES: C[C@@H]1[C@](OC(=O)CN1S(=O)(=O)C)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C15H16F2N4O4S/c1-10-15(7-20-9-18-8-19-20,12-4-3-11(16)5-13(12)17)25-14(22)6-21(10)26(2,23)24/h3-5,8-10H,6-7H2,1-2H3/t10-,15-/m1/s1
SMILES: CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI: InChI=1S/C17H20ClF3N2O3S/c1-27(25,26)23(15-8-12(17(19,20)21)4-5-13(15)18)9-16(24)22-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,22,24)/t10-,11-,14+/m1/s1
SMILES: C1CC=C2[C@H](C1)[C@@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CC=C(C=C3)O
InChI: InChI=1S/C19H16N4O/c20-9-16-14-3-1-2-4-15(14)17(12-5-7-13(24)8-6-12)19(10-21,11-22)18(16)23/h3,5-8,15-17,23-24H,1-2,4H2/t15-,16-,17-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC=C(C=C5)N(C)C)C)C
InChI: InChI=1S/C38H57NO2/c1-26(2)9-8-10-27(3)33-18-19-34-32-17-14-29-25-31(21-23-37(29,4)35(32)22-24-38(33,34)5)41-36(40)20-13-28-11-15-30(16-12-28)39(6)7/h11-16,20,26-27,31-35H,8-10,17-19,21-25H2,1-7H3/b20-13+/t27-,31+,32-,33+,34+,35-,37+,38-/m1/s1
SMILES: CC(C)C(=O)N(C[C@@H]1CCCO1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C24H33IN2O6/c1-15(2)24(31)27(14-17-6-5-11-32-17)19-12-16(23(30)26-9-10-28)13-21(22(19)29)33-20-8-4-3-7-18(20)25/h3-4,7-8,13,15,17,19,21-22,28-29H,5-6,9-12,14H2,1-2H3,(H,26,30)/t17-,19+,21-,22-/m0/s1
SMILES: CC1=C(OC=C1)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C
InChI: InChI=1S/C20H30O/c1-14-7-8-18-19(3,4)10-6-11-20(18,5)16(14)13-17-15(2)9-12-21-17/h9,12,16,18H,1,6-8,10-11,13H2,2-5H3/t16-,18-,20+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C19H27N3O6S/c1-14-6-2-3-7-16(14)20-19(23)13-28-18-9-8-15(12-17(18)22(24)25)29(26,27)21-10-4-5-11-21/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,20,23)/t14-,16+/m1/s1
SMILES: CO[C@@]12CC[C@@H](N1)[C@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H21NO/c1-21-19-13-12-16(20-19)17(14-8-4-2-5-9-14)18(19)15-10-6-3-7-11-15/h2-11,16-18,20H,12-13H2,1H3/t16-,17-,18-,19-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)OC)CCC4=CC(=O)CC[C@@]34C
InChI: InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16+,17+,18-,20-,21+/m1/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@@H]([C@H]3C(=O)N1CC4=CC=CS4)C(=O)NCCC5=CC=CC=C5
InChI: InChI=1S/C22H22N2O3S/c25-20(23-11-9-15-5-2-1-3-6-15)18-17-8-10-22(27-17)14-24(21(26)19(18)22)13-16-7-4-12-28-16/h1-8,10,12,17-19H,9,11,13-14H2,(H,23,25)/t17-,18-,19-,22-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NN2C(=O)[C@@](NC2=O)(C)CCC3=CC=CC=C3
InChI: InChI=1S/C19H23N3O5/c1-12-10-14(12)16(24)27-11-15(23)21-22-17(25)19(2,20-18(22)26)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,26)(H,21,23)/t12-,14-,19+/m0/s1
SMILES: CCCCN(CCCC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2.C(=O)(C(=O)O)O
InChI: InChI=1S/C19H30N2O.C2H2O4/c1-3-5-12-21(13-6-4-2)18(22)19(14-17(19)15-20)16-10-8-7-9-11-16;3-1(4)2(5)6/h7-11,17H,3-6,12-15,20H2,1-2H3;(H,3,4)(H,5,6)/t17-,19+;/m1./s1
SMILES: C[C@H](CN(C)C[C@@H]1[C@H]2C[C@@H]3[C@](CCC[C@]34CO4)(C[C@H]2OC1=O)C)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C26H37NO4/c1-17(23(28)18-8-5-4-6-9-18)14-27(3)15-20-19-12-22-25(2,13-21(19)31-24(20)29)10-7-11-26(22)16-30-26/h4-6,8-9,17,19-23,28H,7,10-16H2,1-3H3/t17-,19-,20-,21-,22-,23-,25-,26+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C([C@@H]2O)Cl)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C19H23ClO2/c1-19-9-8-14-13-5-3-12(21)10-11(13)2-4-15(14)16(19)6-7-17(20)18(19)22/h3,5,7,10,14-16,18,21-22H,2,4,6,8-9H2,1H3/t14-,15-,16+,18+,19+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]([C@@H](C=C(O1)C(=[Cr])OC)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI: InChI=1S/C35H72O5Si3.4CO.Cr/c1-23(2)41(24(3)4,25(5)6)37-22-34-35(40-43(29(13)14,30(15)16)31(17)18)33(20-32(38-34)21-36-19)39-42(26(7)8,27(9)10)28(11)12;4*1-2;/h20,23-31,33-35H,22H2,1-19H3;;;;;/t33-,34-,35+;;;;;/m1...../s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H15FO3/c1-11-10-16(11)18(21)22-15-8-4-13(5-9-15)17(20)12-2-6-14(19)7-3-12/h2-9,11,16H,10H2,1H3/t11-,16+/m1/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4C=NC(=C4Cl)Cl
InChI: InChI=1S/C27H30Cl2N4O6/c1-3-37-22(35)12-30-27(36)32-20-6-4-5-19(11-20)26-38-21(13-33-15-31-24(28)25(33)29)16(2)23(39-26)18-9-7-17(14-34)8-10-18/h4-11,15-16,21,23,26,34H,3,12-14H2,1-2H3,(H2,30,32,36)/t16-,21+,23+,26+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]14CC[C@]2(CC=C4)O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C21H26O2/c1-19-10-7-17-16-5-4-15(22)13-14(16)3-6-18(17)20(19)8-2-9-21(19,23)12-11-20/h2,4-5,8,13,17-18,22-23H,3,6-7,9-12H2,1H3/t17-,18-,19+,20+,21+/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)[N+](=O)[O-])CCCCO)CCCCO)N(CCOCCO)C(=O)C7=CC=C(C=C7)C#N
InChI: InChI=1S/C50H60N4O12/c1-2-25-63-50-45(53(21-27-61-28-24-57)49(58)35-17-15-34(33-51)16-18-35)32-43(52-66-46-14-5-8-26-62-46)41-29-36(10-3-6-22-55)40(13-4-7-23-56)47(48(41)50)42-31-39(19-20-44(42)65-50)64-38-12-9-11-37(30-38)54(59)60/h2,9,11-12,15-20,29-31,36,40,45-48,55-57H,1,3-8,10,13-14,21-28,32H2/t36-,40+,45-,46?,47+,48+,50+/m0/s1
SMILES: C1CCC(CC1)O[C@@H]2COC3=C([C@H]2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4
InChI: InChI=1S/C25H27NO4/c27-25-21-14-20(28-15-18-11-10-17-6-4-5-9-22(17)26-18)12-13-23(21)29-16-24(25)30-19-7-2-1-3-8-19/h4-6,9-14,19,24-25,27H,1-3,7-8,15-16H2/t24-,25-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(OC3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)O)CCCC5=CC(=CC(=C5)F)F
InChI: InChI=1S/C23H30F2O5/c1-13-6-7-19-17(5-3-4-14-10-15(24)12-16(25)11-14)20(26)27-21-23(19)18(13)8-9-22(2,28-21)29-30-23/h10-13,17-21,26H,3-9H2,1-2H3/t13-,17-,18+,19+,20?,21?,22+,23-/m1/s1
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)[C@@H]4CC[C@@H]4C(=O)[O-]
InChI: InChI=1S/C20H23N3O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-8-10-23(11-9-22)19(24)14-6-7-15(14)20(25)26/h2-5,12,14-15H,6-11H2,1H3,(H,25,26)/t14-,15+/m1/s1
SMILES: C[C@@]12CCC[C@@]3([C@@H]1CC=C4[C@@]3(CCC(=O)C4)C)OC2=O
InChI: InChI=1S/C17H22O3/c1-15-7-3-8-17(20-14(15)19)13(15)5-4-11-10-12(18)6-9-16(11,17)2/h4,13H,3,5-10H2,1-2H3/t13-,15-,16+,17+/m1/s1
SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CCCCCC)OCC4=CC=CC=C4
InChI: InChI=1S/C24H37BO3/c1-5-6-7-11-14-22(26-17-18-12-9-8-10-13-18)25-27-21-16-19-15-20(23(19,2)3)24(21,4)28-25/h8-10,12-13,19-22H,5-7,11,14-17H2,1-4H3/t19-,20-,21+,22-,24-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@]3(CCN2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5
InChI: InChI=1S/C25H24N2O2/c1-29-20-13-11-19(12-14-20)23-25(15-16-26-23)21-9-5-6-10-22(21)27(24(25)28)17-18-7-3-2-4-8-18/h2-14,23,26H,15-17H2,1H3/t23-,25+/m0/s1
SMILES: CC(CC1=CC=C(C=C1)OC)N[C@@H]2CCC3=C([C@H]2O)C=CC(=C3O)O
InChI: InChI=1S/C20H25NO4/c1-12(11-13-3-5-14(25-2)6-4-13)21-17-9-7-16-15(19(17)23)8-10-18(22)20(16)24/h3-6,8,10,12,17,19,21-24H,7,9,11H2,1-2H3/t12?,17-,19-/m1/s1
SMILES: C1[C@@H](OC(=O)N1C2=CC=C(C=C2)C3=CN=C(C=C3)C4([C@H]5[C@@H]4COC5)C#N)CN6C=CN=N6
InChI: InChI=1S/C23H20N6O3/c24-14-23(19-12-31-13-20(19)23)21-6-3-16(9-25-21)15-1-4-17(5-2-15)29-11-18(32-22(29)30)10-28-8-7-26-27-28/h1-9,18-20H,10-13H2/t18-,19-,20+,23?/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C52H60N2O9/c1-3-26-54(51(58)59-35-37-16-7-5-8-17-37)48-33-46(53-61-36-38-18-9-6-10-19-38)44-31-40(21-11-13-27-55)43(23-12-14-28-56)49-45-32-42(62-41-22-15-20-39(30-41)34-57)24-25-47(45)63-52(48,50(44)49)60-29-4-2/h4-10,15-20,22,24-25,30-32,34,40,43,48-50,55-56H,2-3,11-14,21,23,26-29,33,35-36H2,1H3/t40-,43+,48-,49+,50+,52+/m0/s1
SMILES: CC1=CC(=CC=C1)C(=O)N=C2N([C@H]3CS(=O)(=O)C[C@H]3S2)C4=CC(=C(C=C4)C)C
InChI: InChI=1S/C21H22N2O3S2/c1-13-5-4-6-16(9-13)20(24)22-21-23(17-8-7-14(2)15(3)10-17)18-11-28(25,26)12-19(18)27-21/h4-10,18-19H,11-12H2,1-3H3/t18-,19+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)O
InChI: InChI=1S/C31H36O9/c1-20(32)40-28-26(33)29(37-17-21-7-5-4-6-8-21)31(39-19-23-11-15-25(36-3)16-12-23)30(27(28)34)38-18-22-9-13-24(35-2)14-10-22/h4-16,26-31,33-34H,17-19H2,1-3H3/t26-,27-,28+,29-,30+,31+/m0/s1
SMILES: CC(C)C1=C(C(=NN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)F)O)O)CC3=CC=C(C=C3)CCCC(=O)N4CCCCCC4
InChI: InChI=1S/C29H42FN3O6/c1-18(2)25-21(28(32-31-25)39-29-27(37)26(36)24(30)22(17-34)38-29)16-20-12-10-19(11-13-20)8-7-9-23(35)33-14-5-3-4-6-15-33/h10-13,18,22,24,26-27,29,34,36-37H,3-9,14-17H2,1-2H3,(H,31,32)/t22-,24-,26+,27-,29+/m1/s1
SMILES: C[C@]12[C@H](C(O1)C3=CC=CC=C3)N(C(=O)NC2=O)CC(=O)O
InChI: InChI=1S/C14H14N2O5/c1-14-11(10(21-14)8-5-3-2-4-6-8)16(7-9(17)18)13(20)15-12(14)19/h2-6,10-11H,7H2,1H3,(H,17,18)(H,15,19,20)/t10?,11-,14+/m0/s1
SMILES: CC(=O)O[C@@H]1CC2[C@]3(CC[C@H](C(C3CC[C@]2([C@]4(C1[C@H](CC4)C5(CC[C@H](O5)C(C)(C)O)C)C)C)(C)C)O)C
InChI: InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22?,23?,24+,25-,26?,29-,30+,31+,32?/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](OC(O[C@H]2C3=CC=C(C=C3)CO)C4=CC=C(C=C4)CN)CSC5=CC=C(C=C5)C(=O)O
InChI: InChI=1S/C32H31NO5S/c33-18-21-6-12-26(13-7-21)32-37-28(20-39-27-16-14-25(15-17-27)31(35)36)29(23-4-2-1-3-5-23)30(38-32)24-10-8-22(19-34)9-11-24/h1-17,28-30,32,34H,18-20,33H2,(H,35,36)/t28-,29-,30+,32?/m1/s1
SMILES: CCCC[C@@]1(CS(=O)(=O)C2=C(C=CC(=C2)OCCCCCC[N+](C)(C)C)[C@H]([C@H]1O)C3=CC=CC=C3)CC
InChI: InChI=1S/C31H48NO4S/c1-6-8-20-31(7-2)24-37(34,35)28-23-26(36-22-15-10-9-14-21-32(3,4)5)18-19-27(28)29(30(31)33)25-16-12-11-13-17-25/h11-13,16-19,23,29-30,33H,6-10,14-15,20-22,24H2,1-5H3/q+1/t29-,30-,31-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7
InChI: InChI=1S/C34H31IN2O7/c1-17-13-26(38)30-24(31(17)39)16-23-21(28(30)18-14-25(35)32(40)27(15-18)43-2)7-8-22-29(23)34(42)37(33(22)41)20-5-3-19(4-6-20)36-9-11-44-12-10-36/h3-7,13-15,22-23,28-29,40H,8-12,16H2,1-2H3/t22-,23+,28-,29-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[CH-][C@@H]([C@H](O2)[CH+]OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C10H14N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h2-4,6-8H,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
SMILES: CC(=O)OC[C@]12CC[C@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
InChI: InChI=1S/C32H50O5/c1-20(33)37-19-32-13-11-25(34)28(4,5)23(32)10-12-30(7)24(32)9-8-21-22-18-27(2,3)14-16-31(22,26(35)36)17-15-29(21,30)6/h8,22-25,34H,9-19H2,1-7H3,(H,35,36)/t22-,23?,24-,25+,29+,30+,31-,32+/m0/s1
SMILES: C1=CC2=C(C(=C(C=C2Cl)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=C1
InChI: InChI=1S/C15H13ClINO7/c16-6-4-7(17)12(8-5(6)2-1-3-18-8)24-15-11(21)9(19)10(20)13(25-15)14(22)23/h1-4,9-11,13,15,19-21H,(H,22,23)/t9-,10-,11+,13-,15+/m0/s1
SMILES: C1CC[C@]2(CCN([C@H]([C@@H]2C1)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)F)O
InChI: InChI=1S/C23H24FNO4/c24-17-5-3-4-16(12-17)22(26)25-11-10-23(27)9-2-1-6-18(23)21(25)15-7-8-19-20(13-15)29-14-28-19/h3-5,7-8,12-13,18,21,27H,1-2,6,9-11,14H2/t18-,21-,23+/m0/s1
SMILES: CC1=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)C)Cl)Cl)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)O
InChI: InChI=1S/C30H28Cl2N2O6/c1-15-13-17(5-10-22(15)36)24-19-8-9-20-23(21(19)14-29(31)27(39)33(2)28(40)30(24,29)32)26(38)34(25(20)37)12-11-16-3-6-18(35)7-4-16/h3-8,10,13,20-21,23-24,35-36H,9,11-12,14H2,1-2H3/t20-,21+,23-,24-,29+,30-/m0/s1
SMILES: C[C@@]12CCCC[C@@H]1CC[C@H]3[C@@H]2CC[C@@]4([C@H]3CC[C@]4(C[NH2+]CCO)O)C
InChI: InChI=1S/C22H39NO2/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,25)15-23-13-14-24/h16-19,23-25H,3-15H2,1-2H3/p+1/t16-,17+,18+,19+,20-,21-,22-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4[C@@H]3CCC5(C4)OCCO5)O)C
InChI: InChI=1S/C22H34O5/c1-13(23)27-19-4-3-17-20-16(5-7-21(17,19)2)15-6-8-22(25-9-10-26-22)12-14(15)11-18(20)24/h14-20,24H,3-12H2,1-2H3/t14?,15-,16+,17-,18+,19-,20+,21-/m0/s1
SMILES: CC1=CC(=NC(=N1)NC2=N[C@H]3CCCC[C@@H]3N2C(=O)NC4=CC=CC=C4)C
InChI: InChI=1S/C20H24N6O/c1-13-12-14(2)22-18(21-13)25-19-24-16-10-6-7-11-17(16)26(19)20(27)23-15-8-4-3-5-9-15/h3-5,8-9,12,16-17H,6-7,10-11H2,1-2H3,(H,23,27)(H,21,22,24,25)/t16-,17-/m0/s1
SMILES: C[C@H]1CN(CC[C@H]1N(C2=CC=CC=N2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4
InChI: InChI=1S/C24H27N3O2/c1-19-18-26(15-12-20-8-3-2-4-9-20)16-13-21(19)27(23-11-5-6-14-25-23)24(28)22-10-7-17-29-22/h2-11,14,17,19,21H,12-13,15-16,18H2,1H3/t19-,21+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C4[C@@]3(CCCC4)C)[N+](=O)[O-])C
InChI: InChI=1S/C27H45NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28(29)30)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-23H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
SMILES: CC1=CC=CC=C1CO[C@]2(C[C@H]([C@H]([C@H](C2)OCC3=CC=CC=C3)O)O)C(=O)NC4CC4
InChI: InChI=1S/C25H31NO5/c1-17-7-5-6-10-19(17)16-31-25(24(29)26-20-11-12-20)13-21(27)23(28)22(14-25)30-15-18-8-3-2-4-9-18/h2-10,20-23,27-28H,11-16H2,1H3,(H,26,29)/t21-,22+,23-,25+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O
InChI: InChI=1S/C18H21NO4S2/c1-11-9-13(11)14-7-6-12(23-14)10-15-17(22)19(18(24)25-15)8-4-2-3-5-16(20)21/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21)/b15-10-/t11-,13+/m1/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=CC=C4O)C5=CC=CC=C5
InChI: InChI=1S/C26H21NO3/c28-22-14-8-7-13-21(22)27-25(29)23-19(17-9-3-1-4-10-17)15-16-20(24(23)26(27)30)18-11-5-2-6-12-18/h1-16,19-20,23-24,28H/t19-,20-,23+,24+/m0/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES: CC1=CC2=C(C(=C1)Cl)NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N
InChI: InChI=1S/C25H22ClN5O4S/c1-10-6-13-20(14(26)7-10)29-24(35)25(13)19-18(15(30-25)8-17(28)32)21(33)31(22(19)34)23-12(9-27)11-4-2-3-5-16(11)36-23/h6-7,15,18-19,30H,2-5,8H2,1H3,(H2,28,32)(H,29,35)/t15-,18+,19-,25-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)O)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C30H30N4O11S/c1-14-23-22(15(2)35)27(37)33(23)24(29(40)45-13-16-6-8-19(9-7-16)34(43)44)25(14)46-20-11-21(32(12-20)30(41)42)26(36)31-18-5-3-4-17(10-18)28(38)39/h3-10,14-15,20-23,35H,11-13H2,1-2H3,(H,31,36)(H,38,39)(H,41,42)/t14-,15-,20+,21+,22-,23-/m1/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(C)C(=O)C7CC7)OCC=C)C
InChI: InChI=1S/C45H60N2O8/c1-5-23-52-45-40(47(4)44(50)31-16-17-31)28-38(46-55-41-14-8-11-24-51-41)36-26-32(12-6-9-21-48)35(13-7-10-22-49)42(43(36)45)37-27-34(19-20-39(37)54-45)53-33-18-15-29(2)30(3)25-33/h5,15,18-20,25-27,31-32,35,40-43,48-49H,1,6-14,16-17,21-24,28H2,2-4H3/t32-,35+,40-,41?,42+,43+,45+/m0/s1
SMILES: CC(C)(C)C(=O)NC1=C2C(=NC=N1)N(C=N2)[C@]3([C@@H]([C@H]4[C@H](O3)CO[Si](O4)(C(C)(C)C)C(C)(C)C)O)C=C
InChI: InChI=1S/C25H39N5O5Si/c1-11-25(30-14-28-16-19(26-13-27-20(16)30)29-21(32)22(2,3)4)18(31)17-15(34-25)12-33-36(35-17,23(5,6)7)24(8,9)10/h11,13-15,17-18,31H,1,12H2,2-10H3,(H,26,27,29,32)/t15-,17-,18-,25-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C24H24N2O/c1-16-7-10-22-20(13-16)21-15-25(2)12-11-23(21)26(22)24(27)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21,23H,11-12,15H2,1-2H3/p+1/t21-,23-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CSC3=NN=C(O3)C4=CC=CO4
InChI: InChI=1S/C17H21N3O3S/c21-15(20-8-7-12-4-1-2-5-13(12)10-20)11-24-17-19-18-16(23-17)14-6-3-9-22-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2/t12-,13-/m1/s1
SMILES: COC1=C2C=C(CC3=CC(=C(C=C3)OC)[C@@H]4CC[C@@H]4C5=C(C=CC(=C5)CC6=CC(=C(C=C6)OC)[C@@H]7[C@H]2CC7)OC)C=C1
InChI: InChI=1S/C38H40O4/c1-39-35-13-5-23-17-24-6-15-37(41-3)33(21-24)29-11-12-30(29)34-22-26(8-16-38(34)42-4)18-25-7-14-36(40-2)32(20-25)28-10-9-27(28)31(35)19-23/h5-8,13-16,19-22,27-30H,9-12,17-18H2,1-4H3/t27-,28+,29-,30+
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=CC8=C7N=CC=C8
InChI: InChI=1S/C54H61N3O10S/c1-4-27-57(68(61,62)49-21-13-18-38-19-14-26-55-53(38)49)50-34-46(56-65-36-37-15-7-6-8-16-37)44-32-39(17-9-11-28-58)43(20-10-12-29-59)51-45-33-42(66-41-22-24-47(63-3)40(31-41)35-60)23-25-48(45)67-54(50,52(44)51)64-30-5-2/h5-8,13-16,18-19,21-26,31-33,35,39,43,50-52,58-59H,2,4,9-12,17,20,27-30,34,36H2,1,3H3/t39-,43+,50-,51+,52+,54+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@]23C[C@@H]2[C@@H]([C@H](C3)O)CO
InChI: InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9-,12+/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)N)O
InChI: InChI=1S/C31H31N5O5/c1-38-23-12-8-21(9-13-23)31(20-6-4-3-5-7-20,22-10-14-24(39-2)15-11-22)40-17-26-25(37)16-27(41-26)36-19-35-28-29(32)33-18-34-30(28)36/h3-15,18-19,25-27,37H,16-17H2,1-2H3,(H2,32,33,34)/t25-,26+,27+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C19H24N2O4S2/c1-11(2)14-6-4-12(3)8-16(14)25-18(22)10-26-19-20-15-7-5-13(21(23)24)9-17(15)27-19/h5,7,9,11-12,14,16H,4,6,8,10H2,1-3H3/t12-,14-,16+/m0/s1
SMILES: C[C@]12[C@@H]3[C@H]([C@H](O1)C4=C2C(=C(C(=C4Cl)Cl)Cl)Cl)[C@@]5(C(C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C16H8Cl10O/c1-13-3-2(5(17)7(19)8(20)6(3)18)9(27-13)4-10(13)15(24)12(22)11(21)14(4,23)16(15,25)26/h4,9-12H,1H3/t4-,9+,10-,11?,12?,13-,14-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C20H28ClN3O2/c1-15-6-2-5-9-18(15)22-19(25)14-23-10-12-24(13-11-23)20(26)16-7-3-4-8-17(16)21/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3,(H,22,25)/t15-,18+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H](O2)COC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(20)13(25-14)9-24-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)CN5CCC[C@H]5CN6CCCC6
InChI: InChI=1S/C34H43N3O5S/c1-25-32(23-37-20-8-11-30(37)22-36-18-5-6-19-36)41-34(42-33(25)27-16-14-26(24-38)15-17-27)28-9-7-10-29(21-28)35-43(39,40)31-12-3-2-4-13-31/h2-4,7,9-10,12-17,21,25,30,32-35,38H,5-6,8,11,18-20,22-24H2,1H3/t25-,30+,32+,33+,34+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H](C#C[C@H]1[C@@H](CC[C@H]2[C@@H]1CC23OCCO3)O)C4CCCCC4
InChI: InChI=1S/C25H42O4Si/c1-24(2,3)30(4,5)29-23(18-9-7-6-8-10-18)14-11-19-20-17-25(27-15-16-28-25)21(20)12-13-22(19)26/h18-23,26H,6-10,12-13,15-17H2,1-5H3/t19-,20-,21+,22-,23-/m1/s1
SMILES: CCCN(CCC1=CC(=CC=C1)OC)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C
InChI: InChI=1S/C21H29N3O6/c1-4-9-24(10-8-14-6-5-7-15(11-14)29-3)20(26)19-18(23-13(2)25)16(22)12-17(30-19)21(27)28/h5-7,11-12,16,18-19H,4,8-10,22H2,1-3H3,(H,23,25)(H,27,28)/t16-,18+,19+/m0/s1
SMILES: CC12[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI: InChI=1S/C27H20F3NO2/c1-25-17-10-3-5-12-19(17)26(2,20-13-6-4-11-18(20)25)22-21(25)23(32)31(24(22)33)16-9-7-8-15(14-16)27(28,29)30/h3-14,21-22H,1-2H3/t21-,22-,25?,26?/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC(F)F)OC
InChI: InChI=1S/C16H19F2NO5/c1-9-5-11(9)15(21)23-8-14(20)19-7-10-3-4-12(24-16(17)18)13(6-10)22-2/h3-4,6,9,11,16H,5,7-8H2,1-2H3,(H,19,20)/t9-,11-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H18Cl2N2O7/c24-15-5-1-13(2-6-15)21(29)32-12-18-17(34-22(30)14-3-7-16(25)8-4-14)11-20(33-18)27-10-9-19(28)26-23(27)31/h1-10,17-18,20H,11-12H2,(H,26,28,31)/t17-,18+,20+/m0/s1
SMILES: CC1=C(N=C2C=C(C=CC2=N1)C(=O)OCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)C
InChI: InChI=1S/C22H27N3O3/c1-14-15(2)24-20-11-17(7-8-19(20)23-14)22(27)28-13-21(26)25-10-9-16-5-3-4-6-18(16)12-25/h7-8,11,16,18H,3-6,9-10,12-13H2,1-2H3/t16-,18+/m0/s1
SMILES: CCCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)OCCC
InChI: InChI=1S/C21H30N2O4/c1-4-6-7-8-14-27-20(24)18-15(3)22-21(25)23-19(18)16-9-11-17(12-10-16)26-13-5-2/h9-12,18-19H,3-8,13-14H2,1-2H3,(H2,22,23,25)/t18-,19+/m0/s1
SMILES: COC1=CC(=C(C=C1NC(=O)OC[C@@H]2CCCN3[C@@H]2CCCC3)Cl)OC
InChI: InChI=1S/C19H27ClN2O4/c1-24-17-11-18(25-2)15(10-14(17)20)21-19(23)26-12-13-6-5-9-22-8-4-3-7-16(13)22/h10-11,13,16H,3-9,12H2,1-2H3,(H,21,23)/t13-,16+/m0/s1
SMILES: CCCCCC[C@@H]([C@H](C/C=C/[C@@H]1[C@H](OC(O1)(C)C)CCC(=O)O)O[Si](C)(C)C(C)(C)C)OCOC
InChI: InChI=1S/C27H52O7Si/c1-10-11-12-13-15-21(31-20-30-7)24(34-35(8,9)26(2,3)4)17-14-16-22-23(18-19-25(28)29)33-27(5,6)32-22/h14,16,21-24H,10-13,15,17-20H2,1-9H3,(H,28,29)/b16-14+/t21-,22+,23+,24-/m0/s1
SMILES: CCCC[C@@]12[C@H](CCC(=O)N1CCC3=C2NC4=CC=CC=C34)C(=O)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7
InChI: InChI=1S/C34H33N3O4S/c1-2-3-20-34-28(17-18-31(38)36(34)21-19-26-24-13-7-9-15-29(24)35-33(26)34)32(39)27-22-37(30-16-10-8-14-25(27)30)42(40,41)23-11-5-4-6-12-23/h4-16,22,28,35H,2-3,17-21H2,1H3/t28-,34+/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C38H54ClN3O10S2/c1-21-12-11-13-29(49-9)38(47)20-28(50-36(46)40-38)23(3)34-37(5,52-34)30(51-35(45)24(4)41(6)31(43)15-14-22(2)54-53-10)19-32(44)42(7)26-17-25(16-21)18-27(48-8)33(26)39/h11-13,17-18,22-24,28-30,34,47H,14-16,19-20H2,1-10H3,(H,40,46)/b13-11+,21-12+/t22-,23+,24-,28-,29+,30-,34-,37-,38-/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=C4CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CSC6=CC=CC=C6OC
InChI: InChI=1S/C44H46N2O7S/c1-29-39(28-54-40-16-10-9-15-38(40)50-2)52-43(53-41(29)33-19-17-31(27-47)18-20-33)34-23-21-32(22-24-34)36-14-8-7-13-35(36)26-45-44(49)46-37(42(48)51-3)25-30-11-5-4-6-12-30/h4-24,29,37,39,41,43,47H,25-28H2,1-3H3,(H2,45,46,49)/t29-,37-,39+,41+,43+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)[18F])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H21FN2O11/c1-7(22)28-6-12-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)17(32-12)21-5-11(19)16(26)20-18(21)27/h5,12-15,17H,6H2,1-4H3,(H,20,26,27)/t12-,13+,14+,15-,17-/m1/s1/i19-1
SMILES: CC1=CC(CC(C1(C(C[C@@]2([C@H](CC[C@@H]([C@@H]2CO[Si](C)(C)C(C)(C)C)OCOC)OC(C)(C)C)C)OCOC)O)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C39H78O8Si2/c1-28-22-29(47-49(18,19)36(8,9)10)23-37(11,12)39(28,40)33(44-27-42-15)24-38(13)30(25-45-48(16,17)35(5,6)7)31(43-26-41-14)20-21-32(38)46-34(2,3)4/h22,29-33,40H,20-21,23-27H2,1-19H3/t29?,30-,31-,32-,33?,38-,39?/m0/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H14ClN3O4/c1-10-15(17(23)11-6-8-12(19)9-7-11)16(21-18(24)20-10)13-4-2-3-5-14(13)22(25)26/h2-9,15-16H,1H2,(H2,20,21,24)/t15-,16-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@H](C1)C3=C(NC(=S)NC3=O)OC2(C)C
InChI: InChI=1S/C14H20N2O2S/c1-7-4-5-9-8(6-7)10-11(17)15-13(19)16-12(10)18-14(9,2)3/h7-9H,4-6H2,1-3H3,(H2,15,16,17,19)/t7-,8+,9-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=CCC5=CC=CC=C5O)OCO3
InChI: InChI=1S/C38H46N2O10/c1-38(2,3)50-33(43)18-17-28(22-41)39-35(44)29-11-7-19-40(29)36(45)27-20-31-34(48-23-47-31)32(21-27)49-37(46)26-15-13-24(14-16-26)8-6-10-25-9-4-5-12-30(25)42/h4-6,8-9,12-16,20,28-29,31-32,34,41-42H,7,10-11,17-19,21-23H2,1-3H3,(H,39,44)/t28-,29+,31+,32+,34+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H]4[C@@]35CCCC=C5CCC4
InChI: InChI=1S/C28H36OSi/c1-27(2,3)30(23-15-6-4-7-16-23,24-17-8-5-9-18-24)29-21-26-25-19-12-14-22-13-10-11-20-28(22,25)26/h4-9,13,15-18,25-26H,10-12,14,19-21H2,1-3H3/t25-,26-,28-/m0/s1