EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CCC(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CC[C@@H](CC)C(C)C)C)C
InChI: InChI=1S/C43H67NO3/c1-9-30(28(4)5)16-15-29(6)36-19-20-37-35-18-17-33-27-34(23-25-42(33,7)38(35)24-26-43(36,37)8)47-40(46)22-21-39(45)44-41-31(10-2)13-12-14-32(41)11-3/h12-14,17,28-30,34-38H,9-11,15-16,18-27H2,1-8H3,(H,44,45)/t29-,30-,34+,35+,36-,37+,38+,42+,43-/m1/s1
SMILES: CCCNC(=O)CN1CC[C@@]2(CCCC[C@@H]2[C@H]1C3=CC(=C(C=C3)OC)OC)O
InChI: InChI=1S/C22H34N2O4/c1-4-12-23-20(25)15-24-13-11-22(26)10-6-5-7-17(22)21(24)16-8-9-18(27-2)19(14-16)28-3/h8-9,14,17,21,26H,4-7,10-13,15H2,1-3H3,(H,23,25)/t17-,21-,22-/m1/s1
SMILES: CS(=O)(=O)O[C@H]1C[C@@H](O[C@@H]1CN=[N+]=[N-])N2C=CC(=O)NC2=O
InChI: InChI=1S/C10H13N5O6S/c1-22(18,19)21-6-4-9(20-7(6)5-12-14-11)15-3-2-8(16)13-10(15)17/h2-3,6-7,9H,4-5H2,1H3,(H,13,16,17)/t6-,7+,9+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C24H23NO4/c1-12(2)11-17(24(28)29)25-22(26)20-18-13-7-3-4-8-14(13)19(21(20)23(25)27)16-10-6-5-9-15(16)18/h3-10,12,17-21H,11H2,1-2H3,(H,28,29)/t17-,18?,19?,20+,21+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@]2(C3=CC=CC(=C3)CSCC(=O)O)O)O)O)O
InChI: InChI=1S/C21H30O8S/c1-12-17(24)18(25)19(26)20(28-12)29-15-7-2-3-8-21(15,27)14-6-4-5-13(9-14)10-30-11-16(22)23/h4-6,9,12,15,17-20,24-27H,2-3,7-8,10-11H2,1H3,(H,22,23)/t12-,15+,17+,18+,19-,20-,21+/m0/s1
SMILES: CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C
InChI: InChI=1S/C30H54N4O7S/c1-16(2)14-23(26(36)20-10-9-11-21(20)27(37)34-25(18(5)6)30(40)41)33-28(38)22(12-13-42-8)32-29(39)24(15-17(3)4)31-19(7)35/h16-18,20-26,36H,9-15H2,1-8H3,(H,31,35)(H,32,39)(H,33,38)(H,34,37)(H,40,41)/t20-,21-,22+,23+,24+,25+,26+/m1/s1
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)OC)C)O)O
InChI: InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1
SMILES: CC1(CCCC2=C1C[C@@H]([C@@H](C2)C(=O)N3CCC4=CC=CC=C43)C(=O)O)C
InChI: InChI=1S/C22H27NO3/c1-22(2)10-5-7-15-12-16(17(21(25)26)13-18(15)22)20(24)23-11-9-14-6-3-4-8-19(14)23/h3-4,6,8,16-17H,5,7,9-13H2,1-2H3,(H,25,26)/t16-,17+/m1/s1
SMILES: CC1=C2[C@@]([C@@H](/C(=C/C3=N/C(=C(\C4=N[C@H]([C@@H]([C@@]4(C)CCC(=O)O)CC(=O)O)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)O)(C)CC(=O)O)C)/C)/[C@H](C3(C)C)CCC(=O)O)/N2)CCC(=O)O)(C)CC(=O)O
InChI: InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,46H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,39-22?/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
SMILES: CC1=C([C@]2(CCCC([C@@H]2C[C@@H]1OC(=O)C)(C)C)C)CCC(C)OC(=O)C
InChI: InChI=1S/C22H36O4/c1-14(25-16(3)23)9-10-18-15(2)19(26-17(4)24)13-20-21(5,6)11-8-12-22(18,20)7/h14,19-20H,8-13H2,1-7H3/t14?,19-,20-,22+/m0/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C19H27N3O6/c1-10(22-15(24)12-8-6-7-9-13(12)16(22)25)17(26)28-11(2)14(23)20-18(27)21-19(3,4)5/h6-7,10-13H,8-9H2,1-5H3,(H2,20,21,23,27)/t10-,11-,12-,13-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C46H55N3O7S/c1-5-23-49(45(52)32-15-13-31(30-47)14-16-32)42-29-40(48-53-3)38-27-33(11-7-9-24-50)37(12-8-10-25-51)43-39-28-35(55-34-17-20-36(57-4)21-18-34)19-22-41(39)56-46(42,44(38)43)54-26-6-2/h6,13-22,27-28,33,37,42-44,50-51H,2,5,7-12,23-26,29H2,1,3-4H3/t33-,37+,42-,43+,44+,46+/m0/s1
SMILES: CC(C)N(C(C)C)C(=O)OC/C(=C(/C(=O)OC)\N1[C@@H]([C@H](C1=O)N=[N+]=[N-])SC)/COC(C)(C)C
InChI: InChI=1S/C21H35N5O6S/c1-12(2)25(13(3)4)20(29)31-10-14(11-32-21(5,6)7)16(19(28)30-8)26-17(27)15(23-24-22)18(26)33-9/h12-13,15,18H,10-11H2,1-9H3/b16-14+/t15-,18+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C5CCCCC5)C
InChI: InChI=1S/C23H25NO2/c1-13-8-9-16(12-14(13)2)24-22(25)20-17-10-11-18(21(20)23(24)26)19(17)15-6-4-3-5-7-15/h8-12,17-18,20-21H,3-7H2,1-2H3/t17-,18+,20-,21-/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=C(C=C5)O)Cl)C(=O)C=C(C4=O)C
InChI: InChI=1S/C25H22ClNO5/c1-3-27-24(31)15-7-6-13-16(21(15)25(27)32)10-17-22(19(29)8-11(2)23(17)30)20(13)14-5-4-12(28)9-18(14)26/h4-6,8-9,15-16,20-21,28H,3,7,10H2,1-2H3/t15-,16+,20+,21-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C47H55N3O5/c1-32-44(30-50(4)33(2)39-24-23-37-13-7-8-14-41(37)27-39)54-47(55-46(32)38-21-19-35(31-51)20-22-38)43-17-11-16-42(28-43)40-15-10-12-36(26-40)29-49-45(53)18-6-5-9-25-48-34(3)52/h7-8,10-17,19-24,26-28,32-33,44,46-47,51H,5-6,9,18,25,29-31H2,1-4H3,(H,48,52)(H,49,53)/t32-,33-,44+,46+,47+/m1/s1
SMILES: C[Si](C)(C)/C=C/[C@H]1[C@@H](N1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H27ClNOPSi/c1-30(2,3)19-18-24-25(20-14-16-21(26)17-15-20)27(24)29(28,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-19,24-25H,1-3H3/b19-18+/t24-,25-,27?/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)CN(C)CC(=O)N2CCC[C@H]3[C@@H]2CCCC3)C
InChI: InChI=1S/C22H33N3O2/c1-16-8-6-11-19(17(16)2)23-21(26)14-24(3)15-22(27)25-13-7-10-18-9-4-5-12-20(18)25/h6,8,11,18,20H,4-5,7,9-10,12-15H2,1-3H3,(H,23,26)/t18-,20-/m0/s1
SMILES: CCC(CC)(CCCC#C[C@@H]([C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O)O
InChI: InChI=1S/C32H50O4/c1-6-32(36,7-2)19-10-8-9-13-29(34)23(4)27-16-17-28-24(12-11-18-31(27,28)5)14-15-25-20-26(33)21-30(35)22(25)3/h14-15,23,26-30,33-36H,3,6-8,10-12,16-21H2,1-2,4-5H3/b24-14+,25-15-/t23-,26+,27+,28-,29-,30-,31+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)[C@H](C(=O)O[C@@H]([C@@]3([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)N(C(=O)O3)NCCCC4=CC=NC5=CC=CC=C45)C)C)C)C)O)C(C)C
InChI: InChI=1S/C43H63N3O10/c1-23(2)32-21-25(4)53-40(36(32)49)55-38-27(6)35(48)28(7)39(50)54-29(8)43(10)37(26(5)34(47)24(3)22-42(38,9)52-11)46(41(51)56-43)45-19-14-15-30-18-20-44-33-17-13-12-16-31(30)33/h12-13,16-18,20,23-29,32,36-38,40,45,49H,14-15,19,21-22H2,1-11H3/t24-,25-,26+,27+,28-,29-,32-,36-,37-,38-,40+,42-,43-/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C(=O)N3C[C@H](C[C@@H](C3)O)O)C
InChI: InChI=1S/C25H43NO4/c1-17(7-5-11-24(2,3)30)21-9-10-22-18(8-6-12-25(21,22)4)13-23(29)26-15-19(27)14-20(28)16-26/h13,17,19-22,27-28,30H,5-12,14-16H2,1-4H3/b18-13+/t17-,19+,20+,21-,22+,25-/m1/s1
SMILES: CN1CC[C@]23[C@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O)C6=C4C(=C(C=C6O)SCC(=O)O)O
InChI: InChI=1S/C26H25NO7S/c1-27-8-7-26-20-12(3-4-15(34-2)23(20)32)9-17(27)25(26)6-5-13(28)21(26)19-22(25)14(29)10-16(24(19)33)35-11-18(30)31/h3-6,10,17,21,29,32-33H,7-9,11H2,1-2H3,(H,30,31)/t17-,21+,25+,26+/m1/s1
SMILES: CC1=C(CON(C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)N)C
InChI: InChI=1S/C22H28N6O8/c1-10-6-28(33-7-11(10)2)22-25-19(23)16-20(26-22)27(9-24-16)21-18(35-14(5)31)17(34-13(4)30)15(36-21)8-32-12(3)29/h9,15,17-18,21H,6-8H2,1-5H3,(H2,23,25,26)/t15-,17-,18-,21-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H]4[C@H](O4)C5=CC(=O)CC[C@]35C
InChI: InChI=1S/C19H24O3/c1-18-7-5-10(20)9-13(18)16-17(22-16)15-11-3-4-14(21)19(11,2)8-6-12(15)18/h9,11-12,15-17H,3-8H2,1-2H3/t11-,12-,15-,16+,17-,18+,19-/m0/s1
SMILES: C=C1[C@H]([C@H](NC(=O)N1)C2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H14ClFN2O2/c1-10-15(17(23)11-6-8-12(19)9-7-11)16(22-18(24)21-10)13-4-2-3-5-14(13)20/h2-9,15-16H,1H2,(H2,21,22,24)/t15-,16-/m1/s1
SMILES: C/C(=C/C[C@@]1(CC[C@H]([C@H]1/C=C/C=C/CO)OCC2=CC=C(C=C2)OC)C)/CCl
InChI: InChI=1S/C24H33ClO3/c1-19(17-25)12-14-24(2)15-13-23(22(24)7-5-4-6-16-26)28-18-20-8-10-21(27-3)11-9-20/h4-12,22-23,26H,13-18H2,1-3H3/b6-4+,7-5+,19-12-/t22-,23-,24-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)NN=CC3=CC=C(C=C3)C(=O)[O-]
InChI: InChI=1S/C22H24N2O3/c1-22(2,3)17-10-8-15(9-11-17)18-12-19(18)20(25)24-23-13-14-4-6-16(7-5-14)21(26)27/h4-11,13,18-19H,12H2,1-3H3,(H,24,25)(H,26,27)/p-1/t18-,19+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(C)[C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H77N3O9/c1-8-11-12-13-14-15-16-17-18-23-31-56-46(55)51(7)42-34-40(50-60-47(4,5)6)38-32-35(24-19-21-28-52)37(25-20-22-29-53)43-39-33-36(58-45(54)49-10-3)26-27-41(39)59-48(42,44(38)43)57-30-9-2/h9,26-27,32-33,35,37,42-44,52-53H,2,8,10-25,28-31,34H2,1,3-7H3,(H,49,54)/t35-,37+,42-,43+,44+,48+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H]([C@H]2CC=C)CCCO)C3=CC=CC=C3
InChI: InChI=1S/C24H31NO3S/c1-3-8-24-23(11-7-18-26)22(20-9-5-4-6-10-20)16-17-25(24)29(27,28)21-14-12-19(2)13-15-21/h3-6,9-10,12-15,22-24,26H,1,7-8,11,16-18H2,2H3/t22-,23-,24-/m1/s1
SMILES: C[C@H]1[C@H]\2C[C@H](C1(C)C)C/C2=N/NC3=NC(=C(S3)C(=O)C)C
InChI: InChI=1S/C16H23N3OS/c1-8-12-6-11(16(8,4)5)7-13(12)18-19-15-17-9(2)14(21-15)10(3)20/h8,11-12H,6-7H2,1-5H3,(H,17,19)/b18-13-/t8-,11-,12+/m0/s1
SMILES: CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4N(C)C)CO
InChI: InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16?,17-,18?,20-,24-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=CC(=CC=C3)Br
InChI: InChI=1S/C17H19BrN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,17+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC(C(C(CC(=O)CC(C(CCC(CC(CC(CC(=O)OC(C(C(C(/C=C/C=C/CC/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)O)N)O
InChI: InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47+/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)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C36H40N2O7S/c1-24-34(22-38-17-16-27-19-32(42-2)33(43-3)20-29(27)21-38)44-36(45-35(24)26-14-12-25(23-39)13-15-26)28-8-7-9-30(18-28)37-46(40,41)31-10-5-4-6-11-31/h4-15,18-20,24,34-37,39H,16-17,21-23H2,1-3H3/t24-,34+,35+,36+/m0/s1
SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)[C@H](O)[C@@H]1OC(=O)[C@@H]([C@@H]1O)O
InChI: InChI=1S/C22H30Cl2N10.C6H10O6/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;7-1-2(8)5-3(9)4(10)6(11)12-5/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2-5,7-10H,1H2/t;2-,3-,4+,5-/m.0/s1
SMILES: CC1=N[C@@]2([C@@H](CC3(C1(N23)C)C#N)C[Si](C)(C)C)C#N
InChI: InChI=1S/C14H20N4Si/c1-10-12(2)13(8-15)6-11(7-19(3,4)5)14(9-16,17-10)18(12)13/h11H,6-7H2,1-5H3/t11-,12?,13?,14-,18?/m0/s1
SMILES: CCOC(=O)O[C@@H]1[C@@H]2C[C@H]([C@]1(C(=O)OC)NC(=O)C3=CC=CC=C3)C=C2
InChI: InChI=1S/C19H21NO6/c1-3-25-18(23)26-15-13-9-10-14(11-13)19(15,17(22)24-2)20-16(21)12-7-5-4-6-8-12/h4-10,13-15H,3,11H2,1-2H3,(H,20,21)/t13-,14+,15+,19-/m0/s1
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@H]1N4CCOCC4)OCO3)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C22H23NO6/c1-13-21(14-2-3-16-18(8-14)26-11-25-16)15-9-19-20(28-12-27-19)10-17(15)29-22(13)23-4-6-24-7-5-23/h2-3,8-10,13,21-22H,4-7,11-12H2,1H3/t13-,21+,22-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@H](O[C@]1(C)O)C/C=C/C=C/C(C)C/C(=C/C=C/CCC=C)/C)O
InChI: InChI=1S/C24H38O3/c1-6-7-8-9-11-14-19(2)17-20(3)15-12-10-13-16-22-18-23(25)21(4)24(5,26)27-22/h6,9-15,20-23,25-26H,1,7-8,16-18H2,2-5H3/b11-9+,13-10+,15-12+,19-14+/t20?,21-,22-,23+,24+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)OC)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C
InChI: InChI=1S/C32H45N3O22/c1-9(36)33-15-19(51-13(5)40)22(25(28(44)45)55-30(15)49-8)53-32-17(35-11(3)38)20(52-14(6)41)23(26(57-32)29(46)47)54-31-16(34-10(2)37)18(50-12(4)39)21(48-7)24(56-31)27(42)43/h15-26,30-32H,1-8H3,(H,33,36)(H,34,37)(H,35,38)(H,42,43)(H,44,45)(H,46,47)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,30+,31+,32+/m1/s1
SMILES: B(C1=CC(=CC=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)CC=C)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)(O)O
InChI: InChI=1S/C41H34BClN2O7/c1-2-9-23-10-6-17-31(36(23)46)35-29-18-19-30-34(39(49)44(37(30)47)27-15-7-13-25(20-27)42(51)52)32(29)22-33-38(48)45(28-16-8-14-26(43)21-28)40(50)41(33,35)24-11-4-3-5-12-24/h2-8,10-18,20-21,30,32-35,46,51-52H,1,9,19,22H2/t30-,32+,33-,34-,35+,41+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)SC3=C(N2)C=CC(=C3)OC)O
InChI: InChI=1S/C17H17NO4S/c1-21-11-5-3-10(4-6-11)15-16(19)17(20)23-14-9-12(22-2)7-8-13(14)18-15/h3-9,15-16,18-19H,1-2H3/t15-,16-/m0/s1
SMILES: C[C@H](CC[C@@H](C)[C@H](C)COC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C
InChI: InChI=1S/C44H65F3O9/c1-25(27(3)24-54-40(52)43(53-6,44(45,46)47)28-10-8-7-9-11-28)12-13-26(2)32-16-17-33-31-15-14-29-22-30(18-20-41(29,4)34(31)19-21-42(32,33)5)55-39-38(51)37(50)36(49)35(23-48)56-39/h7-11,14,25-27,30-39,48-51H,12-13,15-24H2,1-6H3/t25-,26-,27-,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,41+,42-,43+/m1/s1
SMILES: CC1=CC=C(C=C1)NC2=C([C@H]([C@H](C(=C2)C)C(=O)OC)C3=CC=C(C=C3)F)C(=O)OC
InChI: InChI=1S/C24H24FNO4/c1-14-5-11-18(12-6-14)26-19-13-15(2)20(23(27)29-3)21(22(19)24(28)30-4)16-7-9-17(25)10-8-16/h5-13,20-21,26H,1-4H3/t20-,21-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CN=CC=C4
InChI: InChI=1S/C18H13N3O4/c1-10(22)11-4-6-13(7-5-11)21-17(23)14-15(12-3-2-8-19-9-12)20-25-16(14)18(21)24/h2-9,14,16H,1H3/t14-,16+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5(C#CCO)O)C)O)O
InChI: InChI=1S/C24H34O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,4-5,7-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](S2)N3C=CC(=NC3=O)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C30H31N3O4S/c31-26-16-17-33(30(34)32-26)29-28(37-20-24-14-8-3-9-15-24)27(36-19-23-12-6-2-7-13-23)25(38-29)21-35-18-22-10-4-1-5-11-22/h1-17,25,27-29H,18-21H2,(H2,31,32,34)/t25-,27-,28+,29-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C
InChI: InChI=1S/C35H29Cl2F3N4O5/c1-15-10-17(11-16(2)28(15)45)27-21-8-9-22-26(32(48)43(3)30(22)46)23(21)13-24-31(47)44(33(49)34(24,27)18-4-6-20(36)7-5-18)42-29-25(37)12-19(14-41-29)35(38,39)40/h4-8,10-12,14,22-24,26-27,45H,9,13H2,1-3H3,(H,41,42)/t22-,23+,24-,26-,27-,34+/m0/s1
SMILES: CC(C)(C)C(=O)O[C@H]1[C@H](O[C@@H]2[C@H]1O[C@H]([C@@H]([C@@H]2O)O)C/C=C/CC(=O)OC)CO
InChI: InChI=1S/C19H30O9/c1-19(2,3)18(24)28-15-11(9-20)27-16-14(23)13(22)10(26-17(15)16)7-5-6-8-12(21)25-4/h5-6,10-11,13-17,20,22-23H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15-,16-,17-/m0/s1
SMILES: C1[C@H]([C@@]12C3=C(C4=CC=CC=C24)N=CC=C3)CC(C5=CC=CC=C5)(C6=CC=CC=C6)O
InChI: InChI=1S/C28H23NO/c30-28(20-10-3-1-4-11-20,21-12-5-2-6-13-21)19-22-18-27(22)24-15-8-7-14-23(24)26-25(27)16-9-17-29-26/h1-17,22,30H,18-19H2/t22-,27-/m0/s1
SMILES: C1=CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@@](NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CN=CC=C4)N=C1
InChI: InChI=1S/C20H15F3N4O3/c21-20(22,23)19(30)15(17(28)13-4-1-7-24-10-13)16(26-18(29)27-19)12-5-6-14-11(9-12)3-2-8-25-14/h1-10,15-16,30H,(H2,26,27,29)/t15-,16+,19+/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)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCC[C@H]5COC
InChI: InChI=1S/C36H45N3O7/c1-24-32(21-39-19-7-10-30(39)23-43-2)45-35(46-33(24)27-13-11-26(22-40)12-14-27)28-15-17-29(18-16-28)37-36(42)38-31(34(41)44-3)20-25-8-5-4-6-9-25/h4-6,8-9,11-18,24,30-33,35,40H,7,10,19-23H2,1-3H3,(H2,37,38,42)/t24-,30+,31+,32+,33+,35+/m1/s1
SMILES: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)CCC(=O)O)OC
InChI: InChI=1S/C32H30N4O6/c1-32-30(41-3)21(34(2)22(37)12-13-24(38)39)14-23(42-32)35-19-10-6-4-8-16(19)26-27-18(15-33-31(27)40)25-17-9-5-7-11-20(17)36(32)29(25)28(26)35/h4-11,21,23,30H,12-15H2,1-3H3,(H,33,40)(H,38,39)/t21-,23-,30-,32+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3C2[C@H](C[C@]4(C3CC[C@@H]4C(=O)COC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F)C)O
InChI: InChI=1S/C33H37FN4O4/c1-32-13-12-20(39)14-19(32)8-9-22-23-10-11-24(33(23,2)15-25(40)27(22)32)26(41)17-42-31-36-29(35-30(34)37-31)28-21-7-5-4-6-18(21)16-38(28)3/h4-7,14,16,22-25,27,40H,8-13,15,17H2,1-3H3/t22-,23?,24+,25-,27?,32-,33-/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)CC(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C16H17NO5/c18-14(19)9-10-5-7-11(8-6-10)17-15(20)12-3-1-2-4-13(12)16(21)22/h1-2,5-8,12-13H,3-4,9H2,(H,17,20)(H,18,19)(H,21,22)/p-2/t12-,13-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C24H20BrNO5/c25-17-8-6-13(7-9-17)19(27)12-31-24(30)16-2-1-3-18(11-16)26-22(28)20-14-4-5-15(10-14)21(20)23(26)29/h1-3,6-9,11,14-15,20-21H,4-5,10,12H2/t14-,15+,20-,21-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3C(=NN[C@]3(C2=O)C4=CC=C(C=C4)Cl)C(=O)OC)C
InChI: InChI=1S/C21H18ClN3O4/c1-11-4-9-15(12(2)10-11)25-18(26)16-17(19(27)29-3)23-24-21(16,20(25)28)13-5-7-14(22)8-6-13/h4-10,16,24H,1-3H3/t16-,21-/m1/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)C=O)C(=O)NCCO)C(=O)C6=CC7=CC=CC=C7OC6=O)C
InChI: InChI=1S/C37H40N2O9/c1-37(2)22-9-8-21(26(37)15-22)17-39(35(44)25-14-20-6-4-5-7-28(20)47-36(25)45)27-16-24(34(43)38-10-11-40)30-23-12-19(18-41)13-29(46-3)32(23)48-33(30)31(27)42/h4-7,12-14,16,18,21-22,26-27,30-31,33,40,42H,8-11,15,17H2,1-3H3,(H,38,43)/t21-,22-,26-,27+,30-,31-,33-/m0/s1
SMILES: CC1=C(SC=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C
InChI: InChI=1S/C20H21N5S/c1-12(2)25-6-4-14-15(8-21)19(24)20(10-22,11-23)17(16(14)9-25)18-13(3)5-7-26-18/h4-5,7,12,16-17H,6,9,24H2,1-3H3/t16-,17-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]
InChI: InChI=1S/C18H25N3O3/c1-11-4-3-5-15(12(11)2)20-18(22)13-6-9-16(19-14-7-8-14)17(10-13)21(23)24/h6,9-12,14-15,19H,3-5,7-8H2,1-2H3,(H,20,22)/t11-,12+,15+/m0/s1
SMILES: CC1(O[C@H]2CO[C@@H]([C@@H]([C@H]2O1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C22H22O7/c1-22(2)28-16-13-25-21(27-20(24)15-11-7-4-8-12-15)18(17(16)29-22)26-19(23)14-9-5-3-6-10-14/h3-12,16-18,21H,13H2,1-2H3/t16-,17-,18+,21+/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)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CS7)O
InChI: InChI=1S/C32H25Cl2FN2O5S/c1-16-13-17(4-11-24(16)38)26-21-9-10-22-25(28(40)36(27(22)39)15-20-3-2-12-43-20)23(21)14-31(33)29(41)37(30(42)32(26,31)34)19-7-5-18(35)6-8-19/h2-9,11-13,22-23,25-26,38H,10,14-15H2,1H3/t22-,23+,25-,26-,31+,32-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C=C5)O)OC)C)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C
InChI: InChI=1S/C37H35ClN4O6S/c1-6-41-33(44)21-10-9-20-23(30(21)35(41)46)15-24-34(45)42(36(47)37(24,3)31(20)18-7-11-26(43)27(13-18)48-5)29-16-25(39-40(29)4)32-17(2)22-14-19(38)8-12-28(22)49-32/h7-9,11-14,16,21,23-24,30-31,43H,6,10,15H2,1-5H3/t21-,23+,24-,30-,31-,37+/m0/s1
SMILES: C/C(=C\C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/[C@H]4[C@@H](CC[C@@]4(C)O)C(C)(C)O
InChI: InChI=1S/C33H40O2P/c1-26(20-21-31-30(32(2,3)34)22-24-33(31,4)35)23-25-36(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-21,23,30-31,34-35H,22,24-25H2,1-4H3/q+1/b21-20+,26-23+/t30-,31+,33-/m1/s1
SMILES: C1CCN2CCC[C@@H]([C@@H]2C1)COC(=O)C#CC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H25NO2/c25-23(14-13-19-9-5-8-18-7-1-2-11-21(18)19)26-17-20-10-6-16-24-15-4-3-12-22(20)24/h1-2,5,7-9,11,20,22H,3-4,6,10,12,15-17H2/t20-,22+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H](C(CO)O)O)C(=O)O)NS(=O)(=O)CCCCl
InChI: InChI=1S/C14H23ClN2O9S/c1-7(19)16-11-8(17-27(24,25)4-2-3-15)5-10(14(22)23)26-13(11)12(21)9(20)6-18/h5,8-9,11-13,17-18,20-21H,2-4,6H2,1H3,(H,16,19)(H,22,23)/t8-,9?,11+,12+,13+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H](C(=O)OC)NC(=O)OC(C)(C)C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C
InChI: InChI=1S/C30H43NO7Si/c1-28(2,3)38-27(33)31-24(26(32)34-9)25-23(36-30(7,8)37-25)20-35-39(29(4,5)6,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h10-19,23-25H,20H2,1-9H3,(H,31,33)/t23-,24+,25+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@@H]4CO[C@@]5(C[C@H]4OC(=O)C5=C)C)C[C@H](C6=CC=CC(=O)[C@]36C)O
InChI: InChI=1S/C28H36O5/c1-15-25(31)33-23-13-27(15,3)32-14-17(23)19-9-8-18-16-12-22(29)21-6-5-7-24(30)28(21,4)20(16)10-11-26(18,19)2/h5-7,16-20,22-23,29H,1,8-14H2,2-4H3/t16-,17-,18-,19+,20-,22+,23+,26-,27+,28+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C
InChI: InChI=1S/C43H66O14/c1-10-21(2)36(53)57-33-34(54-22(3)46)43(20-45)24(17-38(33,4)5)23-11-12-26-39(6)15-14-28(55-37-31(50)29(48)30(49)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)47/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24?,25?,26?,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)CC6=C([C@H]5C7=CC(=C(C(=C7)Br)O)OC)C(=O)C=C(C6=O)Br
InChI: InChI=1S/C39H31Br2NO8/c1-48-23-10-13-31(49-2)20(14-23)7-4-19-5-8-22(9-6-19)42-38(46)25-12-11-24-26(34(25)39(42)47)17-27-35(30(43)18-29(41)36(27)44)33(24)21-15-28(40)37(45)32(16-21)50-3/h4-11,13-16,18,25-26,33-34,45H,12,17H2,1-3H3/t25-,26+,33-,34-/m0/s1
SMILES: CC1=NN(C2=C1[C@@H]([C@H](C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4OC)C5=CC=CC=C5
InChI: InChI=1S/C27H24N4O3/c1-17-22-23(20-15-9-10-16-21(20)34-2)24(28-26(32)18-11-5-3-6-12-18)27(33)29-25(22)31(30-17)19-13-7-4-8-14-19/h3-16,23-24H,1-2H3,(H,28,32)(H,29,33)/t23-,24+/m0/s1
SMILES: C[C@@H](C1C23C(O2)[C@@H]4C5[C@]([C@H](C6C([C@@]5(C3=CC(=O)O1)C)O6)O)(C(=O)O4)C)O
InChI: InChI=1S/C18H20O8/c1-5(19)12-18-6(4-7(20)23-12)16(2)10-8(14(18)26-18)25-15(22)17(10,3)11(21)9-13(16)24-9/h4-5,8-14,19,21H,1-3H3/t5-,8-,9?,10?,11-,12?,13?,14?,16+,17+,18?/m0/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@@]3([C@H](C2=O)O3)C(=C)CO
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)11(9)7-15(10(2)8-16)13(18-15)12(14)17/h11,13,16H,1-2,4-8H2,3H3/t11-,13-,14-,15-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C16H14ClN3O4S/c1-24-16(23)13-12(8-2-4-9(17)5-3-8)10(6-18)15(20-14(13)22)25-7-11(19)21/h2-5,12-13H,7H2,1H3,(H2,19,21)(H,20,22)/t12-,13+/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl)[C@@]5(N2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C22H17Cl2N3O3/c23-11-7-8-15(13(24)10-11)27-19(28)17-16-6-3-9-26(16)22(18(17)20(27)29)12-4-1-2-5-14(12)25-21(22)30/h1-2,4-5,7-8,10,16-18H,3,6,9H2,(H,25,30)/t16-,17+,18-,22-/m0/s1
SMILES: CC(=O)N(CCC[C@]1(CO[C@@H]1C2=CC=CC=C2)O[Si](C)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C24H33NO4Si/c1-20(26)25(28-18-21-12-7-5-8-13-21)17-11-16-24(29-30(2,3)4)19-27-23(24)22-14-9-6-10-15-22/h5-10,12-15,23H,11,16-19H2,1-4H3/t23-,24-/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2[C@H]([C@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5F
InChI: InChI=1S/C26H22ClFN2O3S/c1-14(31)15-10-11-20-17(12-15)24-18(26(29-20)16-6-2-3-7-19(16)28)13-23(25(24)27)34-22-9-5-4-8-21(22)30(32)33/h2-12,18,23-26,29H,13H2,1H3/t18-,23-,24+,25-,26-/m0/s1
SMILES: CC1(O[C@@H]([C@@](O1)(COC(=O)C(C)(C)C)[C@]23[C@H]([C@@H](OC2=O)C(=O)COC(=O)C(C)(C)C)OC(O3)(C)C)COC(=O)C(C)(C)C)C
InChI: InChI=1S/C31H48O13/c1-25(2,3)21(33)37-14-17(32)19-20-31(24(36)40-19,44-29(12,13)42-20)30(16-39-23(35)27(7,8)9)18(41-28(10,11)43-30)15-38-22(34)26(4,5)6/h18-20H,14-16H2,1-13H3/t18-,19+,20+,30+,31+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H17NO6/c1-11(21)26-17-16(12-5-9-15(25-2)10-6-12)20(18(17)22)14-7-3-13(4-8-14)19(23)24/h3-10,16-17H,1-2H3,(H,23,24)/t16-,17-/m0/s1