EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@@H](CC1=CC[C@H]3[C@H]2CC[C@@]4([C@@H]3CC[C@]4(C(=O)CCN(C)C)O)C)O
InChI: InChI=1S/C24H39NO3/c1-22-11-7-17(26)15-16(22)5-6-18-19(22)8-12-23(2)20(18)9-13-24(23,28)21(27)10-14-25(3)4/h5,17-20,26,28H,6-15H2,1-4H3/t17-,18-,19+,20+,22-,23+,24+/m0/s1
SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H]1N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C23H29NO2/c1-23(2,3)26-22(25)15-20-14-21(20)24(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3/t20-,21+/m1/s1
SMILES: CC1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@@H]3[C@H](CO2)OC(O3)(C)C)OC(=O)C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C19H24O6.3CO.Cr/c1-5-15(20)23-17-16-14(24-19(3,4)25-16)11-22-18(17)21-10-13-8-6-12(2)7-9-13;3*1-2;/h5-9,14,16-18H,1,10-11H2,2-4H3;;;;/t14-,16-,17+,18-;;;;/m0..../s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)O[C@H](C2=CC(=C(C=C2)OC(=O)C)OC)[C@H](COC(=O)C)OC3=CC=CC=C3OC)OC(=O)C
InChI: InChI=1S/C34H42O16/c1-18(35)43-16-28(48-25-12-10-9-11-24(25)40-6)30(23-13-14-26(45-20(3)37)27(15-23)41-7)50-32-31(46-21(4)38)29(17-44-19(2)36)49-34(42-8)33(32)47-22(5)39/h9-15,28-34H,16-17H2,1-8H3/t28-,29+,30+,31-,32-,33+,34-/m0/s1
SMILES: CC[C@H](CC([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O)C(C)C
InChI: InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,25?,26+,27-,28-,29+/m0/s1
SMILES: CCC=CC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C29H34ClIN2O7/c1-3-4-5-26(36)33(16-18-6-8-21(30)9-7-18)23-14-20(29(38)32-10-11-34)15-24(27(23)37)40-28-22(31)12-19(17-35)13-25(28)39-2/h4-9,12-13,15,23-24,27,34-35,37H,3,10-11,14,16-17H2,1-2H3,(H,32,38)/t23-,24+,27+/m1/s1
SMILES: C=C[C@]1([C@H](O[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C32H27N3O8/c1-2-32(43-30(38)23-16-10-5-11-17-23)24(20-40-28(36)21-12-6-3-7-13-21)41-27(35-19-18-25(33)34-31(35)39)26(32)42-29(37)22-14-8-4-9-15-22/h2-19,24,26-27H,1,20H2,(H2,33,34,39)/t24-,26+,27-,32-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CC[C@H]2O)O
InChI: InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,17-,18+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4/C=C/C=C/CCN)O)C)O
InChI: InChI=1S/C25H41NO2/c1-23-13-11-20(27)17-19(23)8-9-22-21(23)12-14-24(2)18(10-15-25(22,24)28)7-5-3-4-6-16-26/h3-5,7,18-22,27-28H,6,8-17,26H2,1-2H3/b4-3+,7-5+/t18-,19+,20-,21-,22+,23-,24+,25-/m0/s1
SMILES: CC(=CCC(/C(=C/C=C/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H](C3(C)C)OC(=O)C)C)C)/C)/C)O[C@H]4[C@H]([C@H]([C@H](CO4)O)O)O)C
InChI: InChI=1S/C37H56O8/c1-21(2)13-14-27(45-34-33(42)32(41)26(40)20-43-34)22(3)11-10-12-23(4)31-25(39)19-29-36(8)18-16-30(44-24(5)38)35(6,7)28(36)15-17-37(29,31)9/h10-13,26-30,32-34,40-42H,14-20H2,1-9H3/b12-10+,22-11+,31-23+/t26-,27?,28-,29-,30+,32-,33-,34-,36-,37-/m0/s1
SMILES: CS(=O)(=O)C1=C[C@@H]2[C@@H]3CC[C@H]([C@@]2(S1(=O)=O)S(=O)(=O)C)C=C3
InChI: InChI=1S/C12H16O6S3/c1-19(13,14)11-7-10-8-3-5-9(6-4-8)12(10,20(2,15)16)21(11,17)18/h3,5,7-10H,4,6H2,1-2H3/t8-,9+,10+,12-/m0/s1
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=C[Se]C(=N4)N)S(=O)C2)C(=O)O
InChI: InChI=1S/C18H18N8O8S2Se/c1-25-18(22-12(28)13(29)23-25)35-3-6-4-36(33)15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-34-2)7-5-37-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-,36?/m1/s1
SMILES: COCCOCO[C@H]1[C@@H]([C@@H](C(=O)O[C@H]1C2=CC=CC=C2)O)O
InChI: InChI=1S/C15H20O7/c1-19-7-8-20-9-21-14-11(16)12(17)15(18)22-13(14)10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12+,13+,14+/m1/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1C[C@@H](N([C@H]2C1=CC[C@@H]3[C@H]2S(=O)(=O)C4=CC=CC=C4S3(=O)=O)C(=O)OC5=CC=CC=C5)CCCOCC6=CC=CC=C6
InChI: InChI=1S/C37H41NO9S2/c1-37(2,3)35(39)47-29-23-26(15-12-22-45-24-25-13-6-4-7-14-25)38(36(40)46-27-16-8-5-9-17-27)33-28(29)20-21-32-34(33)49(43,44)31-19-11-10-18-30(31)48(32,41)42/h4-11,13-14,16-20,26,29,32-34H,12,15,21-24H2,1-3H3/t26-,29+,32+,33-,34+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)[C@H](CCN2C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H25NO3/c25-22(17-9-3-1-4-10-17)24-16-15-21(19-13-7-8-14-20(19)24)27-23(26)18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2/t19-,20+,21+/m1/s1
SMILES: C[C@@H]1C[C@H]([C@]23[C@@]14C[C@](O2)([C@]([C@@]3(COC(=O)[C@@H]4O)C)(C)O)O)O
InChI: InChI=1S/C15H22O7/c1-7-4-8(16)15-11(2)6-21-10(18)9(17)13(7,15)5-14(20,22-15)12(11,3)19/h7-9,16-17,19-20H,4-6H2,1-3H3/t7-,8-,9+,11+,12-,13+,14+,15+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@@]4([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N\OCN5C6=CC=CC=C6N=N5)/CO4)C)O[C@@H]7[C@H]([C@@H](C[C@@H](O7)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C42H63N7O10/c1-11-32-42(8)36-25(4)33(43-16-17-48(36)40(52)59-42)23(2)19-41(7)37(58-39-34(50)31(47(9)10)18-24(3)56-39)26(5)35(27(6)38(51)57-32)53-20-28(21-54-41)45-55-22-49-30-15-13-12-14-29(30)44-46-49/h12-15,23-27,31-32,34-37,39,50H,11,16-22H2,1-10H3/b45-28+/t23-,24+,25+,26+,27-,31-,32-,34+,35+,36-,37-,39-,41-,42-/m1/s1
SMILES: CC[C@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)[C@](C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI: InChI=1S/C32H26F3NO3/c1-3-30-23(19-12-7-5-8-13-19)24(20-14-9-6-10-15-20)31(4-2,29(30)39)26-25(30)27(37)36(28(26)38)22-17-11-16-21(18-22)32(33,34)35/h5-18,25-26H,3-4H2,1-2H3/t25-,26+,30+,31-
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC3=CC=CC=C3C=C2)C(C)C
InChI: InChI=1S/C21H26O2/c1-14(2)19-11-8-15(3)12-20(19)23-21(22)18-10-9-16-6-4-5-7-17(16)13-18/h4-7,9-10,13-15,19-20H,8,11-12H2,1-3H3/t15-,19+,20-/m1/s1
SMILES: C=CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1OCC2=CC=CC=C2)O[C@H]3[C@@H](C=CO[C@@H]3COCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C50H54O9/c1-2-29-54-48-47(56-34-41-24-14-6-15-25-41)45(37-52-32-39-20-10-4-11-21-39)58-50(49(48)57-35-42-26-16-7-17-27-42)59-46-43(55-33-40-22-12-5-13-23-40)28-30-53-44(46)36-51-31-38-18-8-3-9-19-38/h2-28,30,43-50H,1,29,31-37H2/t43-,44-,45-,46+,47+,48+,49-,50+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)F)OC(=O)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C31H31FO8/c1-20(33)37-28-26(40-30(39-22(3)35)27(32)29(28)38-21(2)34)19-36-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-30H,19H2,1-3H3/t26-,27-,28-,29-,30+/m1/s1
SMILES: CC#C[C@@H]([C@@H]1[C@@H]2[C@H]([C@H](CCN2C(=O)O1)O)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H28BrNO4Si/c1-7-8-12(23-24(5,6)17(2,3)4)15-14-13(18)11(20)9-10-19(14)16(21)22-15/h11-15,20H,9-10H2,1-6H3/t11-,12-,13-,14-,15+/m0/s1
SMILES: COC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OCCN8CC8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H59N3O10/c1-3-24-59-48-44(51(47(54)55-2)30-34-15-17-42-43(26-34)58-32-57-42)29-40(49-60-31-33-11-5-4-6-12-33)38-27-35(13-7-9-22-52)37(14-8-10-23-53)45(46(38)48)39-28-36(16-18-41(39)61-48)56-25-21-50-19-20-50/h3-6,11-12,15-18,26-28,35,37,44-46,52-53H,1,7-10,13-14,19-25,29-32H2,2H3/t35-,37+,44-,45+,46+,48+/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O
InChI: InChI=1S/C20H27O2.3C4H9.Sn/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2;3*1-3-4-2;/h1,3,12,15-18,22H,4-11H2,2H3;3*1,3-4H2,2H3;/t15-,16+,17+,18-,19-,20-;;;;/m0..../s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=CC(=CC=C2)F
InChI: InChI=1S/C14H14F4N2O3S/c1-2-23-11(21)9-10(7-4-3-5-8(15)6-7)19-12(24)20-13(9,22)14(16,17)18/h3-6,9-10,22H,2H2,1H3,(H2,19,20,24)/t9-,10+,13-/m1/s1
SMILES: C1CCC(CC1)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(=C(C=C6)O)F)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C38H34ClF2N3O5/c39-22-9-7-21(8-10-22)38-29(35(47)44(37(38)49)42-24-13-11-23(40)12-14-24)19-28-26(33(38)20-6-17-31(45)30(41)18-20)15-16-27-32(28)36(48)43(34(27)46)25-4-2-1-3-5-25/h6-15,17-18,25,27-29,32-33,42,45H,1-5,16,19H2/t27-,28+,29-,32-,33-,38+/m0/s1
SMILES: C[C@@]12CC(C3=CC=CC=C3[C@@]1(N(C(=O)O2)CCC4=CC=CC=C4)C)(C)C
InChI: InChI=1S/C23H27NO2/c1-21(2)16-22(3)23(4,19-13-9-8-12-18(19)21)24(20(25)26-22)15-14-17-10-6-5-7-11-17/h5-13H,14-16H2,1-4H3/t22-,23+/m1/s1
SMILES: C/C(=N/NC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)/C3=CC(=CC=C3)N
InChI: InChI=1S/C18H19N3O/c1-12(14-8-5-9-15(19)10-14)20-21-18(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-17H,11,19H2,1H3,(H,21,22)/b20-12-/t16-,17-/m0/s1
SMILES: CCOC(=O)C(N1[C@@H]([C@H](C1=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)P(=O)(OCC)OCC
InChI: InChI=1S/C22H42NO8PSi/c1-11-28-21(26)20(32(27,29-12-2)30-13-3)23-18(15(4)14-24)17(19(23)25)16(5)31-33(9,10)22(6,7)8/h14-18,20H,11-13H2,1-10H3/t15-,16+,17+,18+,20?/m0/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)CNC3=CC=C(C=C3)C
InChI: InChI=1S/C18H21N3O2/c1-12-3-5-14(6-4-12)19-11-18(22)21-20-10-15-7-8-17(23-15)16-9-13(16)2/h3-8,10,13,16,19H,9,11H2,1-2H3,(H,21,22)/b20-10-/t13-,16-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C21H26N2O3/c24-19(22-13-11-15-6-1-2-7-16(15)14-22)10-5-12-23-20(25)17-8-3-4-9-18(17)21(23)26/h3-4,8-9,15-16H,1-2,5-7,10-14H2/t15-,16-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C(C4)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C29H27NO3/c1-30-15-14-28-21-17-29(19-8-4-2-5-9-19,20-10-6-3-7-11-20)26(32)27(28)33-25-23(31)13-12-18(24(25)28)16-22(21)30/h2-13,21-22,27,31H,14-17H2,1H3/t21-,22+,27-,28-/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)C5=CC=CC=C5)CSC6=NC=CN6C
InChI: InChI=1S/C37H37N3O4S/c1-25-33(24-45-37-38-20-21-40(37)2)43-36(44-34(25)28-14-12-26(23-41)13-15-28)30-18-16-27(17-19-30)32-11-7-6-10-31(32)22-39-35(42)29-8-4-3-5-9-29/h3-21,25,33-34,36,41H,22-24H2,1-2H3,(H,39,42)/t25-,33+,34+,36+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4(CC4)C5=CC=CC=C5
InChI: InChI=1S/C25H27NO5/c1-2-29-23(27)20-13-18(20)15-26(14-17-8-9-21-22(12-17)31-16-30-21)24(28)25(10-11-25)19-6-4-3-5-7-19/h3-9,12,18,20H,2,10-11,13-16H2,1H3/t18-,20-/m1/s1
SMILES: CN1C[C@@H]2[C@H](C1)C2CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI: InChI=1S/C21H22N2O2/c1-23-11-16-15(17(16)12-23)10-22-21(24)20-13-6-2-4-8-18(13)25-19-9-5-3-7-14(19)20/h2-9,15-17,20H,10-12H2,1H3,(H,22,24)/t15?,16-,17+
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)COS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C14H19F3O11S/c1-6(18)25-10-9(5-24-29(21,22)14(15,16)17)28-13(23-4)12(27-8(3)20)11(10)26-7(2)19/h9-13H,5H2,1-4H3/t9-,10-,11+,12-,13+/m1/s1
SMILES: C[C@H]1C[NH+](C[C@@H](O1)C)C[C@H]2[C@H]3C[C@@H]4C(=C)CCC[C@]4(C[C@@H]3OC2=O)C
InChI: InChI=1S/C21H33NO3/c1-13-6-5-7-21(4)9-19-16(8-18(13)21)17(20(23)25-19)12-22-10-14(2)24-15(3)11-22/h14-19H,1,5-12H2,2-4H3/p+1/t14-,15-,16+,17-,18+,19-,21-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](CC4)CC6CCCCC6
InChI: InChI=1S/C25H35NO2/c1-26-13-12-25-19-10-8-18(14-16-6-4-3-5-7-16)24(25)28-23-21(27-2)11-9-17(22(23)25)15-20(19)26/h9,11,16,18-20,24H,3-8,10,12-15H2,1-2H3/t18-,19-,20+,24-,25-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.C1C(SC(O1)CO)N2C=CC(=NC2=O)N
InChI: InChI=1S/C38H50N6O5.C8H11N3O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1-2,6-7,12H,3-4H2,(H2,9,10,13)/t26-,27+,30-,31-,32-,33+;/m0./s1
SMILES: CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)OCC2=CC=C(C=C2)Cl)OC(=O)C
InChI: InChI=1S/C17H19ClO6/c1-11(19)21-10-16-15(23-12(2)20)7-8-17(24-16)22-9-13-3-5-14(18)6-4-13/h3-8,15-17H,9-10H2,1-2H3/t15-,16+,17-/m0/s1
SMILES: CCOP(=O)(C(C)C(=O)CC[C@@H](C)[C@@H]1[C@@H]([C@H](O[C@@H](O1)C2=CC=C(C=C2)OC)C/C=C/C=C/CO[Si](C)(C)C(C)(C)C)C)OCC
InChI: InChI=1S/C35H59O8PSi/c1-12-39-44(37,40-13-2)28(5)31(36)24-19-26(3)33-27(4)32(42-34(43-33)29-20-22-30(38-9)23-21-29)18-16-14-15-17-25-41-45(10,11)35(6,7)8/h14-17,20-23,26-28,32-34H,12-13,18-19,24-25H2,1-11H3/b16-14+,17-15+/t26-,27-,28?,32-,33-,34+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]([C@H]2C(=O)O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H15NO3/c17-14(9-4-2-1-3-5-9)16-13-11-7-6-10(8-11)12(13)15(18)19/h1-7,10-13H,8H2,(H,16,17)(H,18,19)/t10-,11+,12-,13+/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])Cl
InChI: InChI=1S/C23H20ClN5O6/c1-10-14(24)6-5-13-19(10)26-22(33)23(13)18-17(15(27-23)7-8-16(25)30)20(31)28(21(18)32)11-3-2-4-12(9-11)29(34)35/h2-6,9,15,17-18,27H,7-8H2,1H3,(H2,25,30)(H,26,33)/t15-,17+,18-,23+/m0/s1
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C43H58N4O5/c1-6-44-42(50)45-25-30-10-9-12-35(24-30)31-18-20-34(21-19-31)41-51-38(28(2)39(52-41)33-16-14-29(27-48)15-17-33)26-47-36-13-8-7-11-32(36)22-23-37(47)40(49)46-43(3,4)5/h9-10,12,14-21,24,28,32,36-39,41,48H,6-8,11,13,22-23,25-27H2,1-5H3,(H,46,49)(H2,44,45,50)/t28-,32-,36-,37-,38+,39+,41+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)C4=C(C=CC(=C4)Cl)C
InChI: InChI=1S/C23H27ClN2O3S/c1-15-3-9-20(10-4-15)30(28,29)26(22-13-19(24)8-5-16(22)2)14-23(27)25-21-12-17-6-7-18(21)11-17/h3-5,8-10,13,17-18,21H,6-7,11-12,14H2,1-2H3,(H,25,27)/t17-,18-,21+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=C(C=C3)OC(F)(F)F)C(=O)OC4=CC5=CC=CC=C5C=C4)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CC=C7)C
InChI: InChI=1S/C48H48F3NO6/c1-32-9-8-25-46(2)43(41-23-17-34(27-38(53)19-14-32)28-42(41)44(54)36-11-4-3-5-12-36)24-26-47(46,56)31-52(30-33-15-20-39(21-16-33)58-48(49,50)51)45(55)57-40-22-18-35-10-6-7-13-37(35)29-40/h3-7,9-13,15-18,20-23,28-29,38,43,53,56H,8,14,19,24-27,30-31H2,1-2H3/t38-,43-,46-,47+/m0/s1
SMILES: CC(C)([C@H]1CCCC[C@@H]1OC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F)C2=CC=CC=C2
InChI: InChI=1S/C21H27F6O5P/c1-19(2,15-8-4-3-5-9-15)16-10-6-7-11-17(16)32-18(28)12-33(29,30-13-20(22,23)24)31-14-21(25,26)27/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
SMILES: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C\3/C[C@@H]4[C@@H]3C=CC4
InChI: InChI=1S/C17H20N4O5S/c22-21(23)13-4-5-15(18-19-16-10-12-2-1-3-14(12)16)17(11-13)27(24,25)20-6-8-26-9-7-20/h1,3-5,11-12,14,18H,2,6-10H2/b19-16-/t12-,14+/m1/s1
SMILES: C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)COCC(=O)[O-]
InChI: InChI=1S/C14H22N2O4/c1-2-10-7-16-4-3-11(10)5-12(16)6-15-13(17)8-20-9-14(18)19/h2,10-12H,1,3-9H2,(H,15,17)(H,18,19)/t10-,11-,12+/m0/s1
SMILES: C1[C@@H]2C([C@@H]([C@H]([C@@H](O2)NC(=O)CN3C(=O)C=CC3=O)O)O)OC(O1)C4=CC=C(C=C4)COC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
InChI: InChI=1S/C30H36N4O11S/c35-20(11-34-21(36)9-10-22(34)37)32-28-26(40)25(39)27-18(44-28)13-43-29(45-27)16-7-5-15(6-8-16)12-42-23(38)4-2-1-3-19-24-17(14-46-19)31-30(41)33-24/h5-10,17-19,24-29,39-40H,1-4,11-14H2,(H,32,35)(H2,31,33,41)/t17-,18+,19-,24-,25+,26+,27?,28+,29?/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](OC2=C([C@H]1OC(=O)C)C(=CC(=C2)OC)OC)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C23H26O9/c1-12(24)30-22-20-18(29-6)10-15(26-3)11-19(20)32-21(23(22)31-13(2)25)14-7-8-16(27-4)17(9-14)28-5/h7-11,21-23H,1-6H3/t21-,22-,23-/m1/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2(C1=CC[C@]3([C@H]2[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C)C)O
InChI: InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,11,18,22-25,27,33-34H,8,10,12-16H2,1-7H3,(H,35,36)/b26-20-/t18-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C17H19N3O5S/c1-3-25-16(24)13-9(2)18-17(26-13)19-12(21)8-20-14(22)10-6-4-5-7-11(10)15(20)23/h4-5,10-11H,3,6-8H2,1-2H3,(H,18,19,21)/t10-,11-/m0/s1
SMILES: C[C@]12CCC3=C([C@H]1CC[C@]4(C2=CC[C@H]4O)C)C=CC(=C3)OC
InChI: InChI=1S/C20H26O2/c1-19-10-8-13-12-14(22-3)4-5-15(13)16(19)9-11-20(2)17(19)6-7-18(20)21/h4-6,12,16,18,21H,7-11H2,1-3H3/t16-,18-,19+,20+/m1/s1
SMILES: CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCS(=O)(=O)CC5)C
InChI: InChI=1S/C24H30N2O5S/c1-24(2)14-19-17(8-9-20(30-3)22(19)31-24)21-16-6-4-5-7-18(16)23(27)26(25-21)15-10-12-32(28,29)13-11-15/h4-5,8-9,15-16,18H,6-7,10-14H2,1-3H3/t16-,18+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)O)C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C16H19NO3/c18-15(17-9-10-4-2-1-3-5-10)13-11-6-7-12(8-11)14(13)16(19)20/h1-5,11-14H,6-9H2,(H,17,18)(H,19,20)/t11-,12+,13+,14+/m1/s1
SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C25H29NO5/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-31-23(28)14-15-26-24(29)20-8-4-5-9-21(20)25(26)30/h4-5,10-13,17,20-21H,1-3,6-9,14-16H2/t20-,21+
SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC)O
InChI: InChI=1S/C46H89NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(49)34(47-38(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-57-45-44(56)42(54)40(52)37(60-45)33-58-46-43(55)41(53)39(51)36(31-48)59-46/h34-37,39-46,48-49,51-56H,3-33H2,1-2H3,(H,47,50)/t34-,35+,36+,37+,39-,40-,41-,42-,43+,44+,45+,46+/m0/s1
SMILES: C1=CC=C(C(=C1)CSC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl)Cl
InChI: InChI=1S/C19H17Cl3N2O4S/c20-10-4-2-1-3-9(10)8-29-19-23-13-5-11(21)12(22)6-14(13)24(19)18-17(27)16(26)15(7-25)28-18/h1-6,15-18,25-27H,7-8H2/t15-,16-,17-,18-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N
InChI: InChI=1S/C47H45N3O13/c1-58-25-26-62-46(57)49-35-22-17-28(11-10-16-33(42(53)59-2)43(54)60-3)27-34(35)47(45(49)56)36(41(48)52)38-44(55)63-39(30-14-8-5-9-15-30)37(29-12-6-4-7-13-29)50(38)40(47)31-18-20-32(21-19-31)61-24-23-51/h4-9,12-15,17-22,27,33,36-40,51H,16,23-26H2,1-3H3,(H2,48,52)/t36-,37-,38-,39+,40+,47-/m1/s1
SMILES: CCNC(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NN=NN4C
InChI: InChI=1S/C24H30N6O4S/c1-4-25-23(32)26-19-7-5-6-18(12-19)22-33-20(14-35-24-27-28-29-30(24)3)15(2)21(34-22)17-10-8-16(13-31)9-11-17/h5-12,15,20-22,31H,4,13-14H2,1-3H3,(H2,25,26,32)/t15-,20+,21+,22?/m0/s1
SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OP(=O)([O-])OCC1[C@H]([C@@H](C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C42H79N3O14P2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31-54-32-35(57-38(46)28-26-24-22-20-18-14-12-10-8-6-4-2)33-55-60(50,51)59-61(52,53)56-34-36-39(47)40(48)41(58-36)45-30-29-37(43)44-42(45)49/h29-30,35-36,39-41,47-48H,3-28,31-34H2,1-2H3,(H,50,51)(H,52,53)(H2,43,44,49)/p-2/t35?,36?,39-,40+,41?/m1/s1
SMILES: CC(C)COC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C(=O)O
InChI: InChI=1S/C18H21NO4/c1-10(2)9-23-18(22)11-6-7-15-14(8-11)12-4-3-5-13(12)16(19-15)17(20)21/h3-4,6-8,10,12-13,16,19H,5,9H2,1-2H3,(H,20,21)/t12-,13-,16-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H26N2O5/c1-15-5-3-4-6-20(15)23-22(25)14-29-21-12-9-17(24(26)27)13-19(21)16-7-10-18(28-2)11-8-16/h7-13,15,20H,3-6,14H2,1-2H3,(H,23,25)/t15-,20-/m1/s1
SMILES: C1=CC(=CC=C1N[C@@H]2[C@@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O)Br
InChI: InChI=1S/C12H16BrNO5/c13-6-1-3-7(4-2-6)14-12-10(18)9(17)11(19-12)8(16)5-15/h1-4,8-12,14-18H,5H2/t8-,9+,10-,11+,12+/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=C(S2)Cl)O)C/C=C\CCCC(=O)CO)O
InChI: InChI=1S/C22H31ClO5S/c23-22-12-10-17(29-22)9-7-15(25)8-11-19-18(20(27)13-21(19)28)6-4-2-1-3-5-16(26)14-24/h2,4,8,10-12,15,18-21,24-25,27-28H,1,3,5-7,9,13-14H2/b4-2-,11-8+/t15-,18+,19+,20-,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C[C@@H]4CO4)O)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H42O3Si/c1-25(2,3)31(5,6)30-19-8-10-21-18(15-19)7-9-23-22(21)11-13-26(4)24(23)12-14-27(26,28)16-20-17-29-20/h8,10,15,20,22-24,28H,7,9,11-14,16-17H2,1-6H3/t20-,22-,23-,24+,26+,27-/m1/s1
SMILES: CC[C@@H]([C@@H]1C/C=C\C[C@H]([C@H](O1)C/C=C/C#C)Cl)Br
InChI: InChI=1S/C15H20BrClO/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h1,5-8,12-15H,4,9-11H2,2H3/b6-5+,8-7-/t12-,13+,14-,15+/m0/s1
SMILES: CCC(=O)N1CCCC(C1)C(C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O
InChI: InChI=1S/C29H49NO3/c1-5-26(32)30-16-6-7-20(18-30)29(4,33)25-11-10-23-22-9-8-19-17-21(31)12-14-27(19,2)24(22)13-15-28(23,25)3/h19-25,31,33H,5-18H2,1-4H3/t19-,20?,21-,22-,23-,24-,25-,27-,28-,29?/m0/s1
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)OC(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H25FN2O2/c1-2-17-16-29-14-12-19(17)15-24(29)25(31-26(30)18-7-9-20(27)10-8-18)22-11-13-28-23-6-4-3-5-21(22)23/h2-11,13,17,19,24-25H,1,12,14-16H2/t17-,19-,24-,25+/m0/s1
SMILES: C1CC[C@]23[C@@H](C1)[C@@H](C=C(N2C4=CC=CC=C4N3)C5=CC=CC=C5)C6=CC=C(C=C6)O
InChI: InChI=1S/C27H26N2O/c30-21-15-13-19(14-16-21)22-18-26(20-8-2-1-3-9-20)29-25-12-5-4-11-24(25)28-27(29)17-7-6-10-23(22)27/h1-5,8-9,11-16,18,22-23,28,30H,6-7,10,17H2/t22-,23-,27+/m0/s1
SMILES: C[C@@H]1C(=O)O[C@H]([C@]1(C(=O)OCC2=CCN3[C@@H]2[C@@H](CC3)OC(=O)C)O)C
InChI: InChI=1S/C17H23NO7/c1-9-15(20)24-10(2)17(9,22)16(21)23-8-12-4-6-18-7-5-13(14(12)18)25-11(3)19/h4,9-10,13-14,22H,5-8H2,1-3H3/t9-,10+,13-,14+,17-/m1/s1
SMILES: C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@H]3C=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H26ClNO2/c26-18-12-9-16(10-13-18)24-21-8-4-7-20(21)22-15-17(11-14-23(22)27-24)25(28)29-19-5-2-1-3-6-19/h4,7,9-15,19-21,24,27H,1-3,5-6,8H2/t20-,21-,24+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C24H27NO8/c1-13(27)32-22-20(21(28)19(11-26)33-23(22)30-2)25-24(29)31-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-23,26,28H,11-12H2,1-2H3,(H,25,29)/t19-,20+,21-,22-,23-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)/C=C/[C@]2(C3=CC=CC=C3N(C2=O)C)C4=CC=CC5=C4N[C@@H]6[C@]5(CCN6C)[C@@]78CCN([C@@H]7N(C9=CC=CC=C89)C)C
InChI: InChI=1S/C42H46N6O3S/c1-28-18-20-29(21-19-28)52(50,51)46(4)27-22-40(30-12-7-9-16-34(30)48(6)39(40)49)32-14-11-15-33-36(32)43-37-41(33,23-25-44(37)2)42-24-26-45(3)38(42)47(5)35-17-10-8-13-31(35)42/h7-22,27,37-38,43H,23-26H2,1-6H3/b27-22+/t37-,38+,40-,41+,42+/m0/s1
SMILES: C[N+](C)(C)C[C@@H]1C[S@](=O)[C@@](O1)(C2CCCCC2)C3=CC=CC=C3
InChI: InChI=1S/C19H30NO2S/c1-20(2,3)14-18-15-23(21)19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1/t18-,19-,23+/m1/s1
SMILES: C1COC2([C@@H]3[C@@H](O3)[C@]4(CC(=NO4)C(=O)NCCCCNC(=O)C5=NO[C@@]6(C5)C=C(C7([C@@H]8[C@H]6O8)OCCCO7)Br)C=C2Br)OC1
InChI: InChI=1S/C28H32Br2N4O10/c29-17-13-25(19-21(41-19)27(17)37-7-3-8-38-27)11-15(33-43-25)23(35)31-5-1-2-6-32-24(36)16-12-26(44-34-16)14-18(30)28(22-20(26)42-22)39-9-4-10-40-28/h13-14,19-22H,1-12H2,(H,31,35)(H,32,36)/t19-,20-,21+,22+,25+,26+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C18H32O15S/c19-1-5(22)9(23)10(24)6(2-20)31-17-15(29)13(27)12(26)8(32-17)4-34-18-16(30)14(28)11(25)7(3-21)33-18/h2,5-19,21-30H,1,3-4H2/t5-,6+,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/C(=O)OC)OC)C)OC(=O)C)C(C)C
InChI: InChI=1S/C24H34O6/c1-14(2)17-9-8-15(3)18-13-21(29-16(4)25)23(5)10-11-24(28-7,30-23)20(12-19(17)18)22(26)27-6/h8,10-12,14,17-19,21H,9,13H2,1-7H3/b20-12-/t17-,18+,19-,21+,23+,24-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O
InChI: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@]2(CC2(F)F)O[C@H]1N3C=NC4=C(N=CN=C43)N)OC(=S)N5C=CN=C5
InChI: InChI=1S/C21H27F2N7O3SSi/c1-19(2,3)35(4,5)33-13-14(31-18(34)29-7-6-25-10-29)20(8-21(20,22)23)32-17(13)30-11-28-12-15(24)26-9-27-16(12)30/h6-7,9-11,13-14,17H,8H2,1-5H3,(H2,24,26,27)/t13-,14+,17-,20+/m1/s1
SMILES: CCSC1=NN2[C@H]([C@H]3C(=O)CC(C=C3NC2=N1)(C)C)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C19H21N5O3S/c1-4-28-18-21-17-20-12-9-19(2,3)10-14(25)15(12)16(23(17)22-18)11-7-5-6-8-13(11)24(26)27/h5-9,15-16H,4,10H2,1-3H3,(H,20,21,22)/t15-,16+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2N=C(C(=N2)C#N)C#N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H15N5O7/c1-7(21)24-6-12-13(25-8(2)22)14(26-9(3)23)15(27-12)20-18-10(4-16)11(5-17)19-20/h12-15H,6H2,1-3H3/t12-,13-,14-,15-/m1/s1