EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=C)[C@@H](CCC(CO)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)OC)O)O)C)C)O
InChI: InChI=1S/C31H50O6/c1-18(2)21(33)8-7-19(16-32)20-11-12-28(4)22-9-10-23-29(5,26(36)37-6)24(34)15-25(35)31(23)17-30(22,31)14-13-27(20,28)3/h19-25,32-35H,1,7-17H2,2-6H3/t19?,20-,21-,22+,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)NCC(=O)OC)C)C
InChI: InChI=1S/C25H37NO5/c1-15(27)31-17-9-11-24(2)16(13-17)5-6-18-19-7-8-21(23(29)26-14-22(28)30-4)25(19,3)12-10-20(18)24/h5,17-21H,6-14H2,1-4H3,(H,26,29)/t17-,18-,19-,20-,21+,24-,25-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7CCOCC7
InChI: InChI=1S/C43H45N3O6/c1-30-40(28-46-22-24-49-25-23-46)51-42(52-41(30)34-12-10-31(29-47)11-13-34)35-16-14-33(15-17-35)36-7-5-6-32(26-36)27-44-43(48)45-37-18-20-39(21-19-37)50-38-8-3-2-4-9-38/h2-21,26,30,40-42,47H,22-25,27-29H2,1H3,(H2,44,45,48)/t30-,40+,41+,42+/m0/s1
SMILES: COC1=C(C=C(C=C1)Br)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)Br
InChI: InChI=1S/C19H17Br2NO/c1-23-18-8-6-12(21)10-16(18)19-14-4-2-3-13(14)15-9-11(20)5-7-17(15)22-19/h2-3,5-10,13-14,19,22H,4H2,1H3/t13-,14+,19-/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)C8CC8
InChI: InChI=1S/C47H56N2O9S/c1-4-23-56-47-43(49(46(52)31-12-13-31)28-30-11-19-41-42(24-30)55-29-54-41)27-39(48-53-2)37-25-32(9-5-7-21-50)36(10-6-8-22-51)44(45(37)47)38-26-34(16-20-40(38)58-47)57-33-14-17-35(59-3)18-15-33/h4,11,14-20,24-26,31-32,36,43-45,50-51H,1,5-10,12-13,21-23,27-29H2,2-3H3/t32-,36+,43-,44+,45+,47+/m0/s1
SMILES: CCOC(=O)C1=C(SC=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C16H17NO5S/c1-2-22-16(21)10-5-6-23-14(10)17-13(18)11-8-3-4-9(7-8)12(11)15(19)20/h3-6,8-9,11-12H,2,7H2,1H3,(H,17,18)(H,19,20)/t8-,9+,11+,12+/m1/s1
SMILES: CCOC(=O)C([C@H]([C@@H]1[C@@H]([C@H](C(O1)O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C23H27NO9/c1-2-30-22(26)17(24(28)29)19(31-13-15-9-5-3-6-10-15)21-20(18(25)23(27)33-21)32-14-16-11-7-4-8-12-16/h3-12,17-21,23,25,27H,2,13-14H2,1H3/t17?,18-,19-,20-,21-,23?/m1/s1
SMILES: CCCC[C@@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C20H26N2O5/c1-4-6-11-20(19(26)27-5-2)15-14(17(24)22(3)18(15)25)16(21-20)12-7-9-13(23)10-8-12/h7-10,14-16,21,23H,4-6,11H2,1-3H3/t14-,15-,16-,20+/m0/s1
SMILES: CC[C@@H]1[C@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]3([C@@H]([C@H]([C@H]([C@H](C(=O)O1)C)OCC(=O)CO3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)N(C(=O)O2)CCCCC5=CC=CC=C5)C
InChI: InChI=1S/C43H66N2O11/c1-11-33-43(8)37(45(41(50)56-43)20-16-15-19-30-17-13-12-14-18-30)27(4)34(47)25(2)22-42(7)38(55-40-35(48)32(44(9)10)21-26(3)53-40)28(5)36(29(6)39(49)54-33)51-23-31(46)24-52-42/h12-14,17-18,25-29,32-33,35-38,40,48H,11,15-16,19-24H2,1-10H3/t25-,26-,27+,28+,29-,32+,33-,35-,36-,37-,38-,40+,42+,43+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=O)C4=C(C3=O)C=C5C=CC=C(C5=C4)OC)(C(=O)C)O)[NH3+])O.[Cl-]
InChI: InChI=1S/C27H29NO8.ClH/c1-12-24(30)19(28)9-22(35-12)36-21-11-27(33,13(2)29)10-18-23(21)26(32)17-8-15-14(7-16(17)25(18)31)5-4-6-20(15)34-3;/h4-8,12,19,21-22,24,30,33H,9-11,28H2,1-3H3;1H/t12-,19-,21+,22-,24+,27+;/m1./s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=C(NC4=CC=CC=C43)C
InChI: InChI=1S/C21H23N3O4/c1-12-7-3-6-10-16(12)24-20(27)19(26)23(21(24)28)11-17(25)18-13(2)22-15-9-5-4-8-14(15)18/h4-5,8-9,12,16,22H,3,6-7,10-11H2,1-2H3/t12-,16-/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Cl)N
InChI: InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5+,6+,9+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)CCCNCCC(=O)O[C@@]2(CCC3[C@@]2(C[C@@H](C4C3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)OC)C)O)(C)O
InChI: InChI=1S/C48H78N2O13/c1-11-36-47(9,60)41(56)30(5)50(26-27(2)24-46(8,59)40(55)28(3)39(54)29(4)42(57)62-36)22-12-20-49-21-17-37(53)63-48(43(58)61-10)19-16-34-33-14-13-31-23-32(51)15-18-44(31,6)38(33)35(52)25-45(34,48)7/h15,18,23,27-30,33-36,38-41,49,52,54-56,59-60H,11-14,16-17,19-22,24-26H2,1-10H3/t27-,28+,29-,30-,33?,34?,35+,36-,38?,39+,40-,41-,44+,45+,46-,47-,48+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N[C@@]4([C@@H]3C2=O)C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6Cl)CC(=O)O
InChI: InChI=1S/C29H24ClN3O6/c1-39-18-12-10-17(11-13-18)33-26(36)24-21(14-23(34)35)31-29(25(24)27(33)37)19-7-3-5-9-22(19)32(28(29)38)15-16-6-2-4-8-20(16)30/h2-13,21,24-25,31H,14-15H2,1H3,(H,34,35)/t21-,24+,25+,29-/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]([C@@H](O2)C3=CC(=C(C(=C3)OC)O)O)CO)CCCO
InChI: InChI=1S/C20H24O8/c1-25-14-9-12(8-13(23)18(14)24)19-17(10-22)28-20-15(26-2)6-11(4-3-5-21)7-16(20)27-19/h6-9,17,19,21-24H,3-5,10H2,1-2H3/t17-,19-/m0/s1
SMILES: C[C@@H](CCCC(C)(C)O)C1=CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C39H70O3Si2/c1-27(17-16-23-37(8,9)40)31-20-21-32-30-19-18-28-25-29(41-43(12,13)35(2,3)4)26-34(42-44(14,15)36(5,6)7)39(28,11)33(30)22-24-38(31,32)10/h18-20,27,29,32-34,40H,16-17,21-26H2,1-15H3/t27-,29+,32-,33-,34-,38+,39-/m0/s1
SMILES: COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3CC#N)C=C1
InChI: InChI=1S/C19H24N2O/c1-22-15-6-5-14-12-18-16-4-2-3-7-19(16,17(14)13-15)8-10-21(18)11-9-20/h5-6,13,16,18H,2-4,7-8,10-12H2,1H3/t16-,18+,19+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@H]6[C@H]5C(=O)C4=C3C)O)C)[N+](C1)(C)C.[I-]
InChI: InChI=1S/C28H42NO3.HI/c1-15-12-23-26(29(4,5)14-15)17(3)28(32-23)11-10-22-21-8-6-18-13-19(30)7-9-20(18)25(21)27(31)24(22)16(28)2;/h6,15,17,19-23,25-26,30H,7-14H2,1-5H3;1H/q+1;/p-1/t15-,17+,19-,20-,21-,22-,23+,25+,26-,28-;/m0./s1
SMILES: C1CCC(CC1)CO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H48O6/c1-6-16-32(17-7-1)26-42-31-37-38(43-27-33-18-8-2-9-19-33)39(44-28-34-20-10-3-11-21-34)40(45-29-35-22-12-4-13-23-35)41(47-37)46-30-36-24-14-5-15-25-36/h1-4,6-13,16-23,36-41H,5,14-15,24-31H2/t37-,38-,39+,40+,41-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)CCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C27H31N3O3/c1-18-11-12-23-21(16-18)22-17-28(2)15-13-24(22)30(23)25(31)10-4-3-7-14-29-26(32)19-8-5-6-9-20(19)27(29)33/h5-6,8-9,11-12,16,22,24H,3-4,7,10,13-15,17H2,1-2H3/t22-,24-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H](O[C@@H]2[C@H]1O[C@H]3CC[C@@H](O[C@@H]3[C@@H]2O[Si](CC)(CC)CC)CCO[Si](C)(C)C(C)(C)C)CC(=O)OC
InChI: InChI=1S/C33H66O8Si3/c1-13-43(14-2,15-3)40-29-26(23-27(34)35-10)39-31-30(29)38-25-20-19-24(21-22-36-42(11,12)33(7,8)9)37-28(25)32(31)41-44(16-4,17-5)18-6/h24-26,28-32H,13-23H2,1-12H3/t24-,25+,26-,28+,29+,30+,31-,32+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)O[C@H]6C(=O)OCC6(C)C)C(=O)N(C)[C@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C55H75N3O14/c1-9-11-16-27-54(28-17-12-10-2)70-43-40-31-55(51(65)57(8)39(30-35-19-14-13-15-20-35)48(62)56-38(33-59)24-26-42(61)69-52(3,4)5)45(49(63)67-40)58(72-46(55)44(43)71-54)32-37-22-18-21-36(29-37)23-25-41(60)68-47-50(64)66-34-53(47,6)7/h13-15,18-23,25,29,38-40,43-47,59H,9-12,16-17,24,26-28,30-34H2,1-8H3,(H,56,62)/t38-,39+,40+,43-,44-,45+,46+,47-,55+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CC=NOC[C@H](COCC2=CC=CO2)O)OC(=O)C
InChI: InChI=1S/C20H27NO9/c1-14(22)27-13-20-19(29-15(2)23)6-5-17(30-20)7-8-21-28-11-16(24)10-25-12-18-4-3-9-26-18/h3-6,8-9,16-17,19-20,24H,7,10-13H2,1-2H3/t16-,17-,19-,20+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@H]5[C@@H](C4)OC(O5)(C)C)C)C)O)[C@@H](CCC(C)(C)O)O
InChI: InChI=1S/C30H48O6/c1-17(22(31)10-11-26(2,3)33)18-9-13-30(34)20-14-23(32)21-15-24-25(36-27(4,5)35-24)16-28(21,6)19(20)8-12-29(18,30)7/h14,17-19,21-22,24-25,31,33-34H,8-13,15-16H2,1-7H3/t17-,18+,19-,21-,22+,24+,25-,28+,29+,30+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](OC(O2)(C)C)[C@H]3[C@H](C(=O)N3CC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C24H27NO5/c1-15-10-12-18(13-11-15)20-21(30-24(3,4)29-20)19-22(28-16(2)26)23(27)25(19)14-17-8-6-5-7-9-17/h5-13,19-22H,14H2,1-4H3/t19-,20-,21-,22+/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC6=CC=CC=C65)O)Cl)CBr)Cl
InChI: InChI=1S/C28H25BrCl2N2O5/c1-2-11-32-23(35)17-9-8-16-18(20(17)24(32)36)12-27(30)25(37)33(13-29)26(38)28(27,31)22(16)21-15-6-4-3-5-14(15)7-10-19(21)34/h3-8,10,17-18,20,22,34H,2,9,11-13H2,1H3/t17-,18+,20-,22+,27+,28-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O
InChI: InChI=1S/C13H17NO6/c1-6(15)7-2-4-8(5-3-7)14-12-10(17)9(16)11(18)13(19)20-12/h2-5,9-14,16-19H,1H3/t9-,10-,11-,12+,13+/m0/s1
SMILES: CN(C)C(=O)C=CC1=CC(=CC=C1)C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N6CCC[C@@H]6C(=O)NCCO
InChI: InChI=1S/C39H41N3O8/c1-41(2)34(44)19-18-26-11-9-12-27(23-26)38(47)48-32-24-28(37(46)42-21-10-17-31(42)36(45)40-20-22-43)25-33-35(32)50-39(49-33,29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-9,11-16,18-19,23,25,31-33,35,43H,10,17,20-22,24H2,1-2H3,(H,40,45)/t31-,32-,33-,35+/m1/s1
SMILES: C/C(=C\CO)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)CC2=CC(=C(C=C2)O)O)O
InChI: InChI=1S/C19H26O10/c1-10(4-5-20)9-27-19-17(26)18(16(25)14(8-21)28-19)29-15(24)7-11-2-3-12(22)13(23)6-11/h2-4,6,14,16-23,25-26H,5,7-9H2,1H3/b10-4+/t14-,16-,17-,18+,19-/m1/s1
SMILES: CC1=C(S[C@H]2N1C(=O)[C@@H]2[C@@H](C)O)CN(C)CC(=O)N
InChI: InChI=1S/C12H19N3O3S/c1-6-8(4-14(3)5-9(13)17)19-12-10(7(2)16)11(18)15(6)12/h7,10,12,16H,4-5H2,1-3H3,(H2,13,17)/t7-,10+,12-/m1/s1
SMILES: C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H30O5/c35-32-21-28-29(31(22-30(28)38-32)39-33(36)24-13-5-1-6-14-24)23-37-34(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-31H,21-23H2/t28-,29-,30+,31-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@]13[C@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH2+]CCC5=CNC6=CC=CC=C65)C
InChI: InChI=1S/C25H32N2O3/c1-15-6-5-10-24(2)12-20-21(22-25(15,24)30-22)18(23(28)29-20)14-26-11-9-16-13-27-19-8-4-3-7-17(16)19/h3-4,7-8,13,15,18,20-22,26-27H,5-6,9-12,14H2,1-2H3/p+1/t15-,18+,20+,21+,22+,24+,25+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O
InChI: InChI=1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15-,16-,17+,19-,20+,21+,22-,23+,24+/m0/s1
SMILES: CN1C=CC=C1[C@H]2[C@@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6OC
InChI: InChI=1S/C33H36N4O2/c1-34-18-10-16-30(34)32-28(24-35-19-21-36(22-20-35)29-15-8-9-17-31(29)39-2)26-13-6-7-14-27(26)33(38)37(32)23-25-11-4-3-5-12-25/h3-18,28,32H,19-24H2,1-2H3/t28-,32-/m1/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)[O-])C
InChI: InChI=1S/C24H24N2O5/c1-13-11-17(18(24(29)30)12-14(13)2)22(27)25-26-23(28)21-15-7-3-5-9-19(15)31-20-10-6-4-8-16(20)21/h3-10,17-18,21H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/p-1/t17-,18+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
InChI: InChI=1S/C20H19NO5/c1-11-7-13(11)20(23)25-10-19(22)21-15-9-17-14(8-18(15)24-2)12-5-3-4-6-16(12)26-17/h3-6,8-9,11,13H,7,10H2,1-2H3,(H,21,22)/t11-,13-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)/C=C/C(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H19NO3/c26-20(16-6-2-1-3-7-16)12-9-15-5-4-8-19(13-15)25-23(27)21-17-10-11-18(14-17)22(21)24(25)28/h1-13,17-18,21-22H,14H2/b12-9+/t17-,18+,21-,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=CC=C3OC
InChI: InChI=1S/C20H25N3O6/c1-13-7-5-6-10-20(13)18(26)23(19(27)22-20)11-17(25)29-12-16(24)21-14-8-3-4-9-15(14)28-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,21,24)(H,22,27)/t13-,20+/m1/s1
SMILES: CCCCN1C(=NN=C1SCC(=O)N[C@H]2CCCC[C@H]2C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H32N4O2S/c1-4-5-14-26-21(17-10-12-18(28-3)13-11-17)24-25-22(26)29-15-20(27)23-19-9-7-6-8-16(19)2/h10-13,16,19H,4-9,14-15H2,1-3H3,(H,23,27)/t16-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OCC#C)OC)/C#N
InChI: InChI=1S/C21H23ClN2O3/c1-4-9-27-20-17(22)11-15(12-19(20)26-3)10-16(13-23)21(25)24-18-8-6-5-7-14(18)2/h1,10-12,14,18H,5-9H2,2-3H3,(H,24,25)/b16-10+/t14-,18+/m0/s1
SMILES: CCOC(=O)C1=C(NC(=S)[C@@H]([C@H]1C2=CC=CC=C2)C#N)C3=CC=CC=C3
InChI: InChI=1S/C21H18N2O2S/c1-2-25-21(24)18-17(14-9-5-3-6-10-14)16(13-22)20(26)23-19(18)15-11-7-4-8-12-15/h3-12,16-17H,2H2,1H3,(H,23,26)/t16-,17-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI: InChI=1S/C24H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)30-18-19-21(26)22(27)23(28)24(29)31-19/h19,21-24,26-29H,2-18H2,1H3/t19-,21-,22+,23-,24?/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)SC[C@@H](C(=O)O)N)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C15H27NO33S8/c16-4(13(17)18)3-50-15-12(49-57(37,38)39)9(46-54(28,29)30)7(5(43-15)1-40-51(19,20)21)44-14-11(48-56(34,35)36)10(47-55(31,32)33)8(45-53(25,26)27)6(42-14)2-41-52(22,23)24/h4-12,14-15H,1-3,16H2,(H,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/t4-,5+,6+,7+,8+,9-,10-,11+,12+,14+,15-/m0/s1
SMILES: CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C
InChI: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]13CC[C@@]([C@H](C3)C2(C)C)(C)O
InChI: InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H22N2O5/c1-30-19-12-8-16(9-13-19)22-21-23(32-27(22)18-10-14-20(31-2)15-11-18)25(29)26(24(21)28)17-6-4-3-5-7-17/h3-15,21-23H,1-2H3/t21-,22-,23+/m1/s1
SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)[C@](C5)(CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C(=O)O)OC2=O)O
InChI: InChI=1S/C25H36O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h10-18,20,26-30,34H,2-9H2,1H3,(H,31,32)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20-,22-,23-,24+,25-/m1/s1
SMILES: C1C=C2[C@H](CN1CCC3=CC=CC=C3)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C26H22ClN5/c27-20-8-6-19(7-9-20)24-23-15-32(12-10-18-4-2-1-3-5-18)13-11-21(23)22(14-28)25(31)26(24,16-29)17-30/h1-9,11,23-24H,10,12-13,15,31H2/t23-,24-/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C23H24N2O4/c26-21(24-15-14-16-8-2-1-3-9-16)19-12-6-7-13-20(19)25-22(27)17-10-4-5-11-18(17)23(28)29/h1-9,12-13,17-18H,10-11,14-15H2,(H,24,26)(H,25,27)(H,28,29)/t17-,18+/m1/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)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C8=CC=CC=C78)O)Cl)CBr)Cl
InChI: InChI=1S/C41H33BrCl2N2O7/c1-52-25-13-18-33(53-2)23(19-25)10-7-22-8-11-24(12-9-22)46-36(48)30-15-14-29-31(34(30)37(46)49)20-40(43)38(50)45(21-42)39(51)41(40,44)35(29)28-16-17-32(47)27-6-4-3-5-26(27)28/h3-14,16-19,30-31,34-35,47H,15,20-21H2,1-2H3/t30-,31+,34-,35-,40+,41-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(C3CC3)C4=CCCCC4
InChI: InChI=1S/C20H29N3O3/c1-14-7-5-6-12-20(14)18(25)22(19(26)21-20)13-17(24)23(16-10-11-16)15-8-3-2-4-9-15/h8,14,16H,2-7,9-13H2,1H3,(H,21,26)/t14-,20+/m1/s1
SMILES: C1C2C1C3C=CC2[C@H]4[C@@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C18H15FN2O3/c19-9-3-1-8(2-4-9)16(22)20-21-17(23)14-10-5-6-11(13-7-12(10)13)15(14)18(21)24/h1-6,10-15H,7H2,(H,20,22)/t10?,11?,12?,13?,14-,15+
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)NC56CC7CC(C5)CC(C7)C6)CSC8=NN=CN8C
InChI: InChI=1S/C40H47N5O4S/c1-25-35(23-50-39-44-42-24-45(39)2)48-37(49-36(25)31-9-7-26(22-46)8-10-31)32-13-11-30(12-14-32)34-6-4-3-5-33(34)21-41-38(47)43-40-18-27-15-28(19-40)17-29(16-27)20-40/h3-14,24-25,27-29,35-37,46H,15-23H2,1-2H3,(H2,41,43,47)/t25-,27?,28?,29?,35+,36+,37+,40?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C
InChI: InChI=1S/C19H23N3O4/c1-12-7-3-6-10-15(12)20-16(23)11-26-19(25)17-13-8-4-5-9-14(13)18(24)22(2)21-17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,20,23)/t12-,15-/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5)Cl
InChI: InChI=1S/C23H21ClN4O4/c1-11-14(24)8-7-13-19(11)26-22(32)23(13)18-17(15(27-23)9-16(25)29)20(30)28(21(18)31)10-12-5-3-2-4-6-12/h2-8,15,17-18,27H,9-10H2,1H3,(H2,25,29)(H,26,32)/t15-,17+,18-,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)CC6=CC=CS6)O
InChI: InChI=1S/C27H24Cl2N2O5S/c1-13-10-14(5-8-19(13)32)21-16-6-7-17-20(23(34)31(22(17)33)12-15-4-3-9-37-15)18(16)11-26(28)24(35)30(2)25(36)27(21,26)29/h3-6,8-10,17-18,20-21,32H,7,11-12H2,1-2H3/t17-,18+,20-,21-,26+,27-/m0/s1
SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)CS(=O)(=O)C2=CC=CC=C2)NC(=O)CC3=CC4=C(N3)C=C(C=C4)C(F)(F)F
InChI: InChI=1S/C28H34F3N3O3S/c1-18(2)34(3)23-11-12-25(20(14-23)17-38(36,37)24-7-5-4-6-8-24)33-27(35)16-22-13-19-9-10-21(28(29,30)31)15-26(19)32-22/h4-10,13,15,18,20,23,25,32H,11-12,14,16-17H2,1-3H3,(H,33,35)/t20-,23+,25-/m0/s1
SMILES: CS(=O)(=O)CCOC(=O)N(CC1=CC=CC=C1)[C@]23[C@@H]4[C@@H]5[C@H]2[C@H]6[C@@H](C5)[C@@H]4[C@H]3C6=O
InChI: InChI=1S/C21H23NO5S/c1-28(25,26)8-7-27-20(24)22(10-11-5-3-2-4-6-11)21-16-13-9-12-14(16)18(21)19(23)15(12)17(13)21/h2-6,12-18H,7-10H2,1H3/t12-,13+,14-,15+,16+,17-,18-,21+/m0/s1
SMILES: CCOC(=O)C1(CC(=O)O[C@]2(C1)[C@@H]3CC(=O)O[C@@H]3CCO2)C(=O)OCC
InChI: InChI=1S/C17H22O9/c1-3-22-14(20)16(15(21)23-4-2)8-13(19)26-17(9-16)10-7-12(18)25-11(10)5-6-24-17/h10-11H,3-9H2,1-2H3/t10-,11-,17-/m1/s1
SMILES: CC(C)C(C(=O)O)NO[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O
InChI: InChI=1S/C11H21NO8/c1-4(2)6(10(16)17)12-20-9-7(14)5(3-13)19-11(18)8(9)15/h4-9,11-15,18H,3H2,1-2H3,(H,16,17)/t5-,6?,7-,8-,9+,11?/m1/s1
SMILES: COC(=O)C1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCC4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H24N4O4/c1-29-23(28)18-12-27(26-25-18)20-14-31-21-19(13-30-22(20)21)24-11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,12,19-22,24H,11,13-14H2,1H3/t19-,20-,21+,22+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)[C@H]2CC[C@H]3[C@@]2(CCCC3O)C
InChI: InChI=1S/C20H30O4S/c1-14-6-8-16(9-7-14)25(22,23)24-13-15(2)17-10-11-18-19(21)5-4-12-20(17,18)3/h6-9,15,17-19,21H,4-5,10-13H2,1-3H3/t15-,17+,18+,19?,20+/m0/s1
SMILES: C[C@H]\1[C@@H]2CO[C@@H]([C@H]([C@@H]2O/C1=C\C(=O)OC)O)OCC3=CC=CC=C3
InChI: InChI=1S/C18H22O6/c1-11-13-10-23-18(22-9-12-6-4-3-5-7-12)16(20)17(13)24-14(11)8-15(19)21-2/h3-8,11,13,16-18,20H,9-10H2,1-2H3/b14-8-/t11-,13-,16-,17+,18-/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4[C@@H]5CCCC[C@@H]5CC[C@@H]4C(=O)NC(C)(C)C
InChI: InChI=1S/C39H56N4O7/c1-6-48-34(45)22-41-38(47)40-21-26-11-17-30(18-12-26)37-49-33(25(2)35(50-37)29-15-13-27(24-44)14-16-29)23-43-31-10-8-7-9-28(31)19-20-32(43)36(46)42-39(3,4)5/h11-18,25,28,31-33,35,37,44H,6-10,19-24H2,1-5H3,(H,42,46)(H2,40,41,47)/t25-,28+,31+,32+,33+,35+,37+/m0/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H14Cl2N2O3/c1-8-3-2-4-11-13(8)16(23)20(15(11)22)19-14(21)10-6-5-9(17)7-12(10)18/h2-3,5-8,11,13H,4H2,1H3,(H,19,21)/t8-,11-,13-/m1/s1
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=C(N3)C=CC(=C4)SCCC(=O)OC)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@](C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
InChI: InChI=1S/C50H62N4O12S/c1-8-46(60)24-30-25-49(44(58)64-6,40-32(13-18-52(26-30)27-46)33-21-31(11-12-36(33)51-40)67-20-14-39(57)63-5)35-22-34-37(23-38(35)62-4)54(28-55)42-48(34)16-19-53-17-10-15-47(9-2,41(48)53)43(66-29(3)56)50(42,61)45(59)65-7/h10-12,15,21-23,28,30,41-43,51,60-61H,8-9,13-14,16-20,24-27H2,1-7H3/t30-,41+,42?,43-,46+,47-,48-,49+,50+/m1/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(C)CNC(=O)NC4=CC=CC=C4)C
InChI: InChI=1S/C27H36N2O/c1-19(2)20-11-13-23-21(17-20)12-14-24-26(3,15-8-16-27(23,24)4)18-28-25(30)29-22-9-6-5-7-10-22/h5-7,9-11,13,17,19,24H,8,12,14-16,18H2,1-4H3,(H2,28,29,30)/t24-,26-,27+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33?,36?,37-,38+,39-,40-,41?/m0/s1
SMILES: C1C[C@H]([C@H](C1)NC(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C21H21F3N2O3/c22-21(23,24)15-9-11-16(12-10-15)25-19(27)17-7-4-8-18(17)26-20(28)29-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18H,4,7-8,13H2,(H,25,27)(H,26,28)/t17-,18+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)[C@@H]2[C@@H]3C[NH+](CC=C3[C@@H](C(=N)C2(C#N)C#N)C#N)C)OCC
InChI: InChI=1S/C23H25N5O2/c1-4-29-19-7-6-15(10-20(19)30-5-2)21-18-12-28(3)9-8-16(18)17(11-24)22(27)23(21,13-25)14-26/h6-8,10,17-18,21,27H,4-5,9,12H2,1-3H3/p+1/t17-,18+,21+/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C16H15NO3/c1-20-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(17)19/h2-7,9-10,13-14H,8H2,1H3/t9-,10+,13-,14-/m1/s1
SMILES: CC(=O)C1=C(C=CC(=C1)C2=C(C=C(C=C2)F)F)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C20H18F2O8/c1-8(23)12-6-9(11-4-3-10(21)7-13(11)22)2-5-14(12)29-20-17(26)15(24)16(25)18(30-20)19(27)28/h2-7,15-18,20,24-26H,1H3,(H,27,28)/t15-,16-,17+,18-,20?/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)NC(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C16H15ClN2O3/c1-9-5-4-7-11-13(9)16(22)19(15(11)21)18-14(20)10-6-2-3-8-12(10)17/h2-6,8-9,11,13H,7H2,1H3,(H,18,20)/t9-,11-,13+/m0/s1
SMILES: C[N+]1(CC[C@H]2COP(=O)(O[C@H]2C1)OC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C20H24N2O6P.CHF3O3S/c1-22(13-16-5-3-2-4-6-16)12-11-17-15-26-29(25,28-20(17)14-22)27-19-9-7-18(8-10-19)21(23)24;2-1(3,4)8(5,6)7/h2-10,17,20H,11-15H2,1H3;(H,5,6,7)/q+1;/p-1/t17-,20-,22?,29?;/m0./s1
SMILES: C[C@]12CC[C@@H](CC1[C@H]([C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=C)C)O)O)N
InChI: InChI=1S/C20H33NO2/c1-11-4-5-13-16-14(7-9-19(11,13)2)20(3)8-6-12(21)10-15(20)17(22)18(16)23/h12-18,22-23H,1,4-10,21H2,2-3H3/t12-,13-,14-,15?,16-,17+,18+,19+,20+/m0/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=C(C=CC(=C6)Br)NC5=O
InChI: InChI=1S/C23H19BrN4O6/c1-34-17-7-5-12(28(32)33)10-16(17)27-20(29)18-15-3-2-8-26(15)23(19(18)21(27)30)13-9-11(24)4-6-14(13)25-22(23)31/h4-7,9-10,15,18-19H,2-3,8H2,1H3,(H,25,31)/t15-,18+,19+,23-/m1/s1
SMILES: C[C@@H]1[C@@H](C[C@@]23[C@@]1(CC(=O)O2)C[C@]4([C@H]([C@]3(CO4)C)C)OC)O
InChI: InChI=1S/C16H24O5/c1-9-11(17)5-16-13(3)8-20-15(19-4,10(13)2)7-14(9,16)6-12(18)21-16/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-,13-,14+,15+,16-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2C[C@@H]2C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H18ClNO/c1-20(2)15-9-5-12(6-10-15)16-11-17(16)18(21)13-3-7-14(19)8-4-13/h3-10,16-17H,11H2,1-2H3/t16-,17-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)C)F
InChI: InChI=1S/C18H24FNO3/c1-11-8-9-14(10-15(11)19)18(22)23-13(3)17(21)20-16-7-5-4-6-12(16)2/h8-10,12-13,16H,4-7H2,1-3H3,(H,20,21)/t12-,13-,16-/m0/s1
SMILES: CCCCCCCCOC(=O)C(CC(=O)OCCOCCOCCOC)SCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
InChI: InChI=1S/C28H51NO13S/c1-3-4-5-6-7-8-10-41-27(35)21(18-23(32)40-16-15-39-14-13-38-12-11-37-2)43-17-9-22(31)29-24-26(34)25(33)20(19-30)42-28(24)36/h20-21,24-26,28,30,33-34,36H,3-19H2,1-2H3,(H,29,31)/t20-,21?,24-,25-,26-,28?/m1/s1
SMILES: CCOC(=O)CN(C1=CC=C(C=C1)N(CC(=O)OCC)C(=O)[C@H]2[C@H](O2)C)C(=O)[C@H]3[C@H](O3)C
InChI: InChI=1S/C22H28N2O8/c1-5-29-17(25)11-23(21(27)19-13(3)31-19)15-7-9-16(10-8-15)24(12-18(26)30-6-2)22(28)20-14(4)32-20/h7-10,13-14,19-20H,5-6,11-12H2,1-4H3/t13-,14-,19-,20-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3F
InChI: InChI=1S/C18H22FN3O2S/c1-11-6-5-9-15(12(11)2)20-16(23)10-25-18-22-21-17(24-18)13-7-3-4-8-14(13)19/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,20,23)/t11-,12+,15+/m1/s1