EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12[C@@H](N(O[C@H]1C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H20Cl2N2O4/c1-25-21(15-8-10-20(32-2)11-9-15)29(18-6-4-3-5-7-18)33-22(25)23(30)28(24(25)31)19-13-16(26)12-17(27)14-19/h3-14,21-22H,1-2H3/t21-,22-,25-/m0/s1
SMILES: C[C@H]1C=CC2=CC[C@@H]([C@@H]([C@@H]2[C@H]1CO)O)[Si](C)(C)C
InChI: InChI=1S/C15H26O2Si/c1-10-5-6-11-7-8-13(18(2,3)4)15(17)14(11)12(10)9-16/h5-7,10,12-17H,8-9H2,1-4H3/t10-,12-,13-,14-,15-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC4CCC5C(C4)O5)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C46H68N2O11/c1-7-9-11-22-46(23-12-10-8-2)57-38-27-33(42(52)48-40(29(3)50)43(53)47-34(28-49)19-21-39(51)58-45(4,5)6)26-37(41(38)59-46)56-44(54)32-15-13-14-30(24-32)16-17-31-18-20-35-36(25-31)55-35/h13-17,24,27,29,31,34-38,40-41,49-50H,7-12,18-23,25-26,28H2,1-6H3,(H,47,53)(H,48,52)/t29-,31?,34-,35?,36?,37+,38+,40+,41-/m0/s1
SMILES: C[NH+](CC1=CC=C(S1)Cl)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C15H17ClN2O2S/c1-17(8-10-6-7-13(16)21-10)9-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-3,6-7,11-12H,4-5,8-9H2,1H3/p+1/t11-,12+
SMILES: C[C@H]1[C@H]2[C@@H](N(C(=O)[C@@]23[C@@H](/C=C/CCC(=O)[C@@](/C=C/[C@@H]3OC(=O)C)(C)O)C=C1C[Se]C4=CC=CC=C4)C(=O)C5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C42H43NO6Se/c1-28-32(27-50-34-20-11-6-12-21-34)26-33-19-13-14-22-36(45)41(3,48)24-23-37(49-29(2)44)42(33)38(28)35(25-30-15-7-4-8-16-30)43(40(42)47)39(46)31-17-9-5-10-18-31/h4-13,15-21,23-24,26,28,33,35,37-38,48H,14,22,25,27H2,1-3H3/b19-13+,24-23+/t28-,33+,35+,37+,38+,41+,42-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OCC=C)OCC4=CC=CC=C4
InChI: InChI=1S/C24H28O6/c1-3-14-26-21-20-19(16-28-23(30-20)18-12-8-5-9-13-18)29-24(25-2)22(21)27-15-17-10-6-4-7-11-17/h3-13,19-24H,1,14-16H2,2H3/t19-,20-,21+,22-,23?,24+/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C\C3=C(C=CC(=C3)O2)OC)C(C)CC)NC(=O)[C@H](CC4=CC=CC=C4)NC
InChI: InChI=1S/C36H49N5O6/c1-7-22(3)30-34(43)38-18-16-25-21-26(14-15-28(25)46-6)47-29-17-19-41(32(29)35(44)39-30)36(45)31(23(4)8-2)40-33(42)27(37-5)20-24-12-10-9-11-13-24/h9-16,18,21-23,27,29-32,37H,7-8,17,19-20H2,1-6H3,(H,38,43)(H,39,44)(H,40,42)/b18-16-/t22?,23-,27-,29-,30-,31-,32-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CC=CC4=C3CC5=CC=CC=C54)CCOCCOCCO
InChI: InChI=1S/C34H39NO6/c1-2-40-34-29(15-17-38-19-20-39-18-16-36)31(22-32(41-34)33(37)35-23-24-9-4-3-5-10-24)28-14-8-13-27-26-12-7-6-11-25(26)21-30(27)28/h3-14,22,29,31,34,36H,2,15-21,23H2,1H3,(H,35,37)/t29-,31-,34-/m1/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=C(C=C5)OCC6=CC=CC=C6)O)Cl)C)Cl
InChI: InChI=1S/C31H30Cl2N2O6/c1-3-13-35-26(37)21-12-11-19-22(24(21)27(35)38)15-30(32)28(39)34(2)29(40)31(30,33)25(19)20-10-9-18(14-23(20)36)41-16-17-7-5-4-6-8-17/h4-11,14,21-22,24-25,36H,3,12-13,15-16H2,1-2H3/t21-,22+,24-,25+,30+,31-/m0/s1
SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C19H20N4O5S/c1-12-10-11-20-19(21-12)23-29(27,28)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)18(25)26/h2-3,6-11,15-16H,4-5H2,1H3,(H,22,24)(H,25,26)(H,20,21,23)/t15-,16+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@H]1[C@@H](C(=O)OC)O)C2=CC(=C(C=C2)OC)OC)[C@H](C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C35H46O8Si/c1-23(22-41-44(35(3,4)5,26-15-11-9-12-16-26)27-17-13-10-14-18-27)31-24(2)32(30(36)33(37)40-8)43-34(42-31)25-19-20-28(38-6)29(21-25)39-7/h9-21,23-24,30-32,34,36H,22H2,1-8H3/t23-,24-,30+,31+,32-,34+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=COC=C4)C(=O)C5CCC5)C(=O)NCCO)CO
InChI: InChI=1S/C27H32N2O8/c1-35-21-10-16(13-31)9-18-22-19(26(33)28-6-7-30)11-20(23(32)25(22)37-24(18)21)29(12-15-5-8-36-14-15)27(34)17-3-2-4-17/h5,8-11,14,17,20,22-23,25,30-32H,2-4,6-7,12-13H2,1H3,(H,28,33)/t20-,22+,23+,25+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C)F
InChI: InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
SMILES: COC(=O)C1CCN(CC1)CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl
InChI: InChI=1S/C13H21ClN2O5S/c1-21-13(18)9-2-4-16(5-3-9)6-12(17)15-11-8-22(19,20)7-10(11)14/h9-11H,2-8H2,1H3,(H,15,17)/t10-,11-/m1/s1
SMILES: C[C@H](CC[C@@H](C(C)C)O)C1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21?,22?,23+,24+,25+,26+,27-/m1/s1
SMILES: CC(C)([C@@H]1[C@H]([C@@H](C=CO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O4/c1-29(2,33-22-25-16-10-5-11-17-25)28-27(32-21-24-14-8-4-9-15-24)26(18-19-30-28)31-20-23-12-6-3-7-13-23/h3-19,26-28H,20-22H2,1-2H3/t26-,27+,28+/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](C[C@]2(C(=O)O[C@@H]3[C@@H](O2)[C@H]([C@H](O[C@H]3O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)OCC5=CC=CC=C5)NC(=O)C)CO)O)O[C@@H]1[C@@H]([C@@H](CO)O)O)O
InChI: InChI=1S/C32H46N2O18/c1-13(38)33-20-16(40)8-32(51-26(20)22(42)17(41)9-35)31(45)50-28-27(52-32)24(44)19(11-37)48-30(28)49-25-21(34-14(2)39)29(47-18(10-36)23(25)43)46-12-15-6-4-3-5-7-15/h3-7,16-30,35-37,40-44H,8-12H2,1-2H3,(H,33,38)(H,34,39)/t16-,17+,18+,19+,20-,21+,22+,23-,24-,25+,26-,27-,28+,29-,30-,32-/m0/s1
SMILES: CCOP(=O)(CCO[C@H]1C2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)OCC
InChI: InChI=1S/C27H33O11P/c1-5-37-39(30,38-6-2)8-7-33-26-17-12-20-19(35-14-36-20)11-16(17)23(24-18(26)13-34-27(24)29)15-9-21(31-3)25(28)22(10-15)32-4/h9-12,18,23-24,26,28H,5-8,13-14H2,1-4H3/t18?,23-,24+,26-/m1/s1
SMILES: C1CCC(=CC1)C#CC2=CN3C[C@@H]([C@@H]([C@H](C3=N2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C36H36N2O3/c1-5-13-28(14-6-1)21-22-32-23-38-24-33(39-25-29-15-7-2-8-16-29)34(40-26-30-17-9-3-10-18-30)35(36(38)37-32)41-27-31-19-11-4-12-20-31/h2-4,7-13,15-20,23,33-35H,1,5-6,14,24-27H2/t33-,34-,35+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C(=C(C=C3Cl)Cl)Cl)C(=O)[O-]
InChI: InChI=1S/C13H10Cl3NO2/c14-7-4-8(15)12-9(10(7)16)5-2-1-3-6(5)11(17-12)13(18)19/h1-2,4-6,11,17H,3H2,(H,18,19)/p-1/t5-,6+,11-/m1/s1
SMILES: CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4N=C(N=N4)C)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C36H38N8O6S2/c1-6-13-25(26-20-52-34(37-26)39-35(48)50-36(3,4)5)30(45)38-27-31(46)44-28(24(19-51-32(27)44)18-43-41-21(2)40-42-43)33(47)49-29(22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-17,20,27,29,32H,6,18-19H2,1-5H3,(H,38,45)(H,37,39,48)/b25-13-/t27-,32-/m1/s1
SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCC4=CC(=CC=C4)F
InChI: InChI=1S/C18H20FN5O4S/c1-29-18-22-15(20-6-9-3-2-4-10(19)5-9)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,22,23)/t11-,13-,14-,17-/m1/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C36H46O8Si/c1-25(2)36(3,4)45(6,7)44-35-32(42-33(37)28-21-15-10-16-22-28)30(41-24-27-19-13-9-14-20-27)29(31(43-35)34(38)39-5)40-23-26-17-11-8-12-18-26/h8-22,25,29-32,35H,23-24H2,1-7H3/t29-,30-,31+,32+,35+/m0/s1
SMILES: CCCC[C@@H]1CC(=O)O[C@@H]1O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C
InChI: InChI=1S/C18H32O3/c1-5-6-7-14-11-17(19)21-18(14)20-16-10-13(4)8-9-15(16)12(2)3/h12-16,18H,5-11H2,1-4H3/t13-,14-,15+,16-,18+/m1/s1
SMILES: CC(=O)O[C@]12C[C@@H]([C@]3(CC(C1C3OC(=O)C4=CC(=C(C=C4)OC)OC)C56[C@H](C[C@H]([C@@]7(C5C(C2C6N(C7)C=O)OC)COC)O)OC)O)OC
InChI: InChI=1S/C35H47NO13/c1-17(38)49-34-13-24(46-6)33(41)12-19(25(34)30(33)48-31(40)18-8-9-20(43-3)21(10-18)44-4)35-23(45-5)11-22(39)32(15-42-2)14-36(16-37)29(35)26(34)27(47-7)28(32)35/h8-10,16,19,22-30,39,41H,11-15H2,1-7H3/t19?,22-,23+,24+,25?,26?,27?,28?,29?,30?,32+,33+,34-,35?/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](CN[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)19(2)18-38-20(3)16-35(8,44)32(51-34-28(40)25(39(11)12)15-21(4)47-34)22(5)29(23(6)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20+,21+,22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32+,34-,35+,36+,37+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)OC(=O)CN3CCCC3)([C@@]4([C@@]1(O[C@@](CC4=O)(C)C=C)C)O)C)O.Cl
InChI: InChI=1S/C28H43NO8.ClH/c1-8-25(5)15-18(31)28(34)26(6)19(36-20(32)16-29-13-9-10-14-29)11-12-24(3,4)22(26)21(33)23(35-17(2)30)27(28,7)37-25;/h8,19,21-23,33-34H,1,9-16H2,2-7H3;1H/t19-,21-,22-,23-,25-,26-,27+,28-;/m0./s1
SMILES: C1=CC=C(C(=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl)F
InChI: InChI=1S/C23H14Cl2FN3O5/c24-12-8-9-15(16(25)10-12)20-19-21(34-28(20)13-4-3-5-14(11-13)29(32)33)23(31)27(22(19)30)18-7-2-1-6-17(18)26/h1-11,19-21H/t19-,20+,21-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=N5
InChI: InChI=1S/C23H16F3N3O3/c24-23(25,26)14-7-6-10-16(13-14)28-21(30)18-19(17-11-4-5-12-27-17)29(32-20(18)22(28)31)15-8-2-1-3-9-15/h1-13,18-20H/t18-,19+,20+/m0/s1
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@H]([C@H](NC(=O)C2[C@H](CCN2C(=O)C(NC(=O)C(NC(=O)C3C[C@H](CN3C(=O)C(NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O
InChI: InChI=1S/C52H88N10O15.C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);1H3,(H,3,4)/t28?,29?,30-,33-,34?,35?,36-,37+,38-,40?,41?,42?,43?,44+,45+,46+;/m1./s1
SMILES: C[C@@]12CC[C@@]34CCC(C([C@@H]3[C@H]1CC[C@H]5[C@]2(CCC6[C@@]5(CC/C(=N\O)/C6(C)C)C)C)OC4)(C)C
InChI: InChI=1S/C30H49NO2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)33-18-30)8-9-21-27(5)12-11-22(31-32)26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24,32H,8-18H2,1-7H3/b31-22+/t19-,20?,21-,23+,24?,27+,28-,29-,30-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)N3CCOCC3
InChI: InChI=1S/C18H23N3O3/c1-11-4-5-12(2)14(10-11)16-15(13(3)19-18(23)20-16)17(22)21-6-8-24-9-7-21/h4-5,10,15-16H,3,6-9H2,1-2H3,(H2,19,20,23)/t15-,16+/m0/s1
SMILES: C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCCC(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
InChI: InChI=1S/C57H80N2O14/c1-58(24-20-40-34-46(62-3)48(64-5)36-42(40)44(58)28-38-30-50(66-7)56(70-11)51(31-38)67-8)22-16-26-72-54(60)18-14-13-15-19-55(61)73-27-17-23-59(2)25-21-41-35-47(63-4)49(65-6)37-43(41)45(59)29-39-32-52(68-9)57(71-12)53(33-39)69-10/h30-37,44-45H,13-29H2,1-12H3/q+2/t44-,45+,58-,59+
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3
InChI: InChI=1S/C22H23NO5S/c1-3-28-22(25)21-19(15-8-5-4-6-9-15)13-17(14-20(21)24)16-10-7-11-18(12-16)23-29(2,26)27/h4-12,14,19,21,23H,3,13H2,1-2H3/t19-,21+/m0/s1
SMILES: CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C18H27NO3.C17H19NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3;1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21);2-5,10-11,13,16,19-20H,6-8H2,1H3/b8-6+;/t;10-,11+,13-,16-,17-/m.0/s1
SMILES: CC[C@H](/C=C/CCC(C)(C)O)[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C31H50O3/c1-7-21(10-8-9-16-29(3,4)34)20(2)25-13-14-26-24-12-11-22-18-23(32)19-28(33)31(22,6)27(24)15-17-30(25,26)5/h8,10-12,20-21,23,25-28,32-34H,7,9,13-19H2,1-6H3/b10-8+/t20-,21+,23+,25+,26-,27-,28-,30+,31-/m0/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@@H]([C@@H]3[C@@H](O2)OC(O3)(C)C)N)C
InChI: InChI=1S/C12H21NO5/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10H,5,13H2,1-4H3/t6-,7-,8+,9+,10-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NNC(=N2)C3=CC=CS3
InChI: InChI=1S/C17H24N4OS2/c1-10-6-4-7-13(11(10)2)18-16(22)12(3)24-17-19-15(20-21-17)14-8-5-9-23-14/h5,8-13H,4,6-7H2,1-3H3,(H,18,22)(H,19,20,21)/t10-,11-,12-,13-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2CC=C([C@@H]([C@@]2(C1=O)C)C=CC3=CC(=C(C(=C3)OC)O)OC)C=C
InChI: InChI=1S/C24H26O5/c1-6-16-8-10-18-19(25)11-14(2)23(27)24(18,3)17(16)9-7-15-12-20(28-4)22(26)21(13-15)29-5/h6-9,11-13,17-18,26H,1,10H2,2-5H3/t17-,18-,24-/m0/s1
SMILES: CN(C)[C@@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C3=CC=CS3
InChI: InChI=1S/C19H27N3O3S/c1-21(2)15(16-8-5-11-26-16)12-20-17(23)9-10-22-18(24)13-6-3-4-7-14(13)19(22)25/h5,8,11,13-15H,3-4,6-7,9-10,12H2,1-2H3,(H,20,23)/t13-,14-,15-/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)NC4=O
InChI: InChI=1S/C27H17Cl2F5N2O6/c1-42-8-2-5-13(37)11(6-8)15-9-3-4-10-14(23(39)35-22(10)38)12(9)7-26(28)24(40)36(25(41)27(15,26)29)21-19(33)17(31)16(30)18(32)20(21)34/h2-3,5-6,10,12,14-15,37H,4,7H2,1H3,(H,35,38,39)/t10-,12+,14-,15+,26+,27-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C21H27N3O3/c25-19(23-14-12-22(13-15-23)16-6-2-1-3-7-16)10-11-24-20(26)17-8-4-5-9-18(17)21(24)27/h1-3,6-7,17-18H,4-5,8-15H2/t17-,18-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@]2([C@@H]([C@@H]([C@H](O2)CO)O)O)CO
InChI: InChI=1S/C10H14N2O7/c13-3-5-7(16)8(17)10(4-14,19-5)12-2-1-6(15)11-9(12)18/h1-2,5,7-8,13-14,16-17H,3-4H2,(H,11,15,18)/t5-,7-,8-,10-/m1/s1
SMILES: C[C@]12CCCC(C1CCC(=C)[C@@H]2CCOC(=O)C3=CC=CC=C3C(=O)O)(C)C
InChI: InChI=1S/C24H32O4/c1-16-10-11-20-23(2,3)13-7-14-24(20,4)19(16)12-15-28-22(27)18-9-6-5-8-17(18)21(25)26/h5-6,8-9,19-20H,1,7,10-15H2,2-4H3,(H,25,26)/t19-,20?,24+/m0/s1
SMILES: CC(C)C(=O)O[C@@H]1C/C(=C\CC[C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)CO)/CO
InChI: InChI=1S/C19H28O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,11,14-17,20-21H,3-4,6-10H2,1-2H3/b13-5+/t14-,15-,16-,17-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C)OC(=O)CCC(=O)[O-]
InChI: InChI=1S/C23H34O5/c1-22-11-9-15(28-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24)23(17,2)12-10-18(16)22/h14-18H,3-13H2,1-2H3,(H,25,26)/p-1/t14-,15-,16-,17+,18-,22-,23-/m0/s1
SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=CC=C2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C20H22O8/c1-26-19(25)12-6-4-5-11(9-12)13-7-2-3-8-14(13)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3/t15-,16-,17+,18+,20+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H20N2O3/c1-11-7-8-12(2)15(9-11)19-16(21)10-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-4,7-9,13-14H,5-6,10H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
SMILES: C[C@]1(CC(=O)[C@@H]([C@@H]([C@@H]1C(=O)OC)/C=C/C2=CC=CC=C2)C(=O)OC)O
InChI: InChI=1S/C19H22O6/c1-19(23)11-14(20)15(17(21)24-2)13(16(19)18(22)25-3)10-9-12-7-5-4-6-8-12/h4-10,13,15-16,23H,11H2,1-3H3/b10-9+/t13-,15+,16+,19+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](C=CC2=CC=CC=C12)OC3=C(N=CC=C3)Br
InChI: InChI=1S/C21H26BrNO2Si/c1-21(2,3)26(4,5)25-19-16-10-7-6-9-15(16)12-13-17(19)24-18-11-8-14-23-20(18)22/h6-14,17,19H,1-5H3/t17-,19-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=CC=C3Cl)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H18ClN3O3/c1-11-16-17(21(24-11)13-7-3-5-9-15(13)23-20(21)28)19(27)25(18(16)26)10-12-6-2-4-8-14(12)22/h2-9,11,16-17,24H,10H2,1H3,(H,23,28)/t11-,16+,17+,21-/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)NC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=CC=C(C=C7)C(=O)O
InChI: InChI=1S/C37H42N2O6S/c1-22-32(21-46-31-12-8-28(9-13-31)34(41)42)44-35(45-33(22)27-4-2-23(20-40)3-5-27)29-6-10-30(11-7-29)38-36(43)39-37-17-24-14-25(18-37)16-26(15-24)19-37/h2-13,22,24-26,32-33,35,40H,14-21H2,1H3,(H,41,42)(H2,38,39,43)/t22-,24?,25?,26?,32+,33+,35+,37?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C[C@@H]2NC4=CC=CC=C4OC)Br)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C27H34BrNO2/c1-27-13-12-21-20-11-9-19(30-2)14-17(20)8-10-22(21)23(27)15-18(28)16-26(27)29-24-6-4-5-7-25(24)31-3/h4-7,9,11,14,18,21-23,26,29H,8,10,12-13,15-16H2,1-3H3/t18-,21+,22+,23-,26-,27-/m0/s1
SMILES: C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(COC4)C=C3)[C@H](O1)C5=CC6=C(COC6)C=C5
InChI: InChI=1S/C22H22O4/c1-3-15-7-23-9-17(15)5-13(1)21-19-11-26-22(20(19)12-25-21)14-2-4-16-8-24-10-18(16)6-14/h1-6,19-22H,7-12H2/t19-,20-,21+,22+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C6=CC=CC=C56)O)C(=O)N(C4=O)C(=O)OC)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H26ClFN2O7/c1-33-22(29(40)36(31(33)42)15-7-11-24(35)23(34)13-15)14-21-19(8-9-20-26(21)30(41)37(28(20)39)32(43)44-2)27(33)18-10-12-25(38)17-6-4-3-5-16(17)18/h3-8,10-13,20-22,26-27,38H,9,14H2,1-2H3/t20-,21+,22-,26-,27-,33+/m0/s1
SMILES: CC1C(=C)OC(=O)C2=C(C=C(C(=C12)C)OC)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C19H24O9/c1-7-9(3)26-18(24)14-11(5-10(25-4)8(2)13(7)14)27-19-17(23)16(22)15(21)12(6-20)28-19/h5,7,12,15-17,19-23H,3,6H2,1-2,4H3/t7?,12-,15-,16+,17-,19+/m0/s1
SMILES: CC1(C[C@@]23[C@H]4C[C@H]5[C@H]2[C@H]5C=C[C@H]4C(=C3C1O)[Si](C)(C)C)C
InChI: InChI=1S/C19H28OSi/c1-18(2)9-19-13-8-12-10(14(12)19)6-7-11(13)16(21(3,4)5)15(19)17(18)20/h6-7,10-14,17,20H,8-9H2,1-5H3/t10-,11+,12+,13-,14+,17?,19+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=C[C@@H]3CC(=O)[C@]2(C[C@@]3(C)OC)C
InChI: InChI=1S/C18H22O2/c1-12-5-7-13(8-6-12)15-9-14-10-16(19)17(15,2)11-18(14,3)20-4/h5-9,14H,10-11H2,1-4H3/t14-,17+,18-/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@@H]3CN[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C19H21N3O3/c23-16-12-10-20-19(13-8-4-5-9-14(13)21-18(19)25)15(12)17(24)22(16)11-6-2-1-3-7-11/h4-5,8-9,11-12,15,20H,1-3,6-7,10H2,(H,21,25)/t12-,15+,19+/m1/s1
SMILES: CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C45H53N3O12/c1-3-21-58-45-41(47(44(52)55-4-2)26-30-13-17-39-40(22-30)57-28-56-39)25-37(46-59-27-29-11-14-32(15-12-29)48(53)54)35-23-31(9-5-7-19-49)34(10-6-8-20-50)42(43(35)45)36-24-33(51)16-18-38(36)60-45/h3,11-18,22-24,31,34,41-43,49-51H,1,4-10,19-21,25-28H2,2H3/t31-,34+,41-,42+,43+,45+/m0/s1
SMILES: C/C/1=C\CC[C@]2(CC(=C)[C@H](CC/C(=C/CC1)/C)[C@H]([C@@H]2OCOC)O)C
InChI: InChI=1S/C22H36O3/c1-16-8-6-9-17(2)11-12-19-18(3)14-22(4,13-7-10-16)21(20(19)23)25-15-24-5/h9-10,19-21,23H,3,6-8,11-15H2,1-2,4-5H3/b16-10+,17-9+/t19-,20+,21-,22-/m0/s1
SMILES: CCCCCCCCN(CCCCCCCC)S(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H53NO11S/c1-7-9-11-13-15-17-19-31(20-18-16-14-12-10-8-2)43(36,37)30-29(41-25(6)35)28(40-24(5)34)27(42-30)26(39-23(4)33)21-38-22(3)32/h26-30H,7-21H2,1-6H3/t26-,27+,28+,29-,30+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C27H30O4/c1-20-24(28)26(30-18-22-13-7-3-8-14-22)27(31-19-23-15-9-4-10-16-23)25(20)29-17-21-11-5-2-6-12-21/h2-16,20,24-28H,17-19H2,1H3/t20-,24-,25+,26+,27+/m1/s1
SMILES: CCCCCCCCC(=O)N[C@H]1[C@H](OC[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)CO
InChI: InChI=1S/C37H49F6N5O10/c1-2-3-4-5-6-7-14-27(51)47-28-25(17-49)56-19-24(46-34(54)44-22-12-8-10-20(15-22)36(38,39)40)32(28)58-33-29(31(53)30(52)26(18-50)57-33)48-35(55)45-23-13-9-11-21(16-23)37(41,42)43/h8-13,15-16,24-26,28-33,49-50,52-53H,2-7,14,17-19H2,1H3,(H,47,51)(H2,44,46,54)(H2,45,48,55)/t24-,25+,26+,28-,29+,30+,31+,32+,33-/m0/s1
SMILES: CC(CC(=O)O[C@H]1C[C@H]2CCN([C@H]2[C@H]3[C@H]1OC(=O)C4=CC5=C(C=C34)OCO5)C)O
InChI: InChI=1S/C21H25NO7/c1-10(23)5-17(24)28-16-6-11-3-4-22(2)19(11)18-12-7-14-15(27-9-26-14)8-13(12)21(25)29-20(16)18/h7-8,10-11,16,18-20,23H,3-6,9H2,1-2H3/t10?,11-,16+,18+,19-,20+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]([C@H]1COC[C@@H]1[C@@H](C2=CC(=C(C=C2)CC3=CC=CC=C3)OC)O[Si](C(C)C)(C(C)C)C(C)C)C4=CC(=C(C=C4)CC5=CC=CC=C5)OC
InChI: InChI=1S/C52H76O5Si2/c1-35(2)58(36(3)4,37(5)6)56-51(45-27-25-43(49(31-45)53-13)29-41-21-17-15-18-22-41)47-33-55-34-48(47)52(57-59(38(7)8,39(9)10)40(11)12)46-28-26-44(50(32-46)54-14)30-42-23-19-16-20-24-42/h15-28,31-32,35-40,47-48,51-52H,29-30,33-34H2,1-14H3/t47-,48-,51-,52+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@H]1C/C=C\CCCC(=O)O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19+/m0/s1
SMILES: C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)C[NH2+]C
InChI: InChI=1S/C13H22N4O5/c1-6(12(14)21)16-13(22)7-3-8(11(20)9(18)4-7)17-10(19)5-15-2/h3,6,8-9,11,15,18,20H,4-5H2,1-2H3,(H2,14,21)(H,16,22)(H,17,19)/p+1/t6-,8-,9-,11-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)F)O
InChI: InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-7(15)6(11)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m0/s1
SMILES: CO[C@@H]1[C@H]2[C@H]([C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O2)OC)OC)OC)OC)OC)OC
InChI: InChI=1S/C34H36O14/c1-37-19-13-17-22(27(41-5)24(19)39-3)23-18(14-20(38-2)25(40-4)28(23)42-6)32(36)47-30-29(46-31(17)35)26-21(45-34(30)43-7)15-44-33(48-26)16-11-9-8-10-12-16/h8-14,21,26,29-30,33-34H,15H2,1-7H3/t21-,26-,29+,30-,33-,34+/m1/s1
SMILES: C[C@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C16H17NO2S/c1-12-8-10-15(11-9-12)20(18,19)17-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-,17?/m0/s1
SMILES: CCCCCCCNC(=O)CC[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CCC(=O)NCCCCCCC)O)O)O)O)O)O
InChI: InChI=1S/C30H56N2O11/c1-3-5-7-9-11-17-31-21(33)15-13-19-23(35)25(37)27(39)29(41-19)43-30-28(40)26(38)24(36)20(42-30)14-16-22(34)32-18-12-10-8-6-4-2/h19-20,23-30,35-40H,3-18H2,1-2H3,(H,31,33)(H,32,34)/t19-,20-,23-,24-,25-,26+,27-,28-,29-,30?/m1/s1
SMILES: C[C@@H]1CN2C[C@H]3CCC(=O)OCC[C@@H]4CC5=C(C4=O)C(=O)[C@@]1(C[C@@H]2[C@@]35C)O
InChI: InChI=1S/C21H27NO5/c1-11-9-22-10-13-3-4-16(23)27-6-5-12-7-14-17(18(12)24)19(25)21(11,26)8-15(22)20(13,14)2/h11-13,15,26H,3-10H2,1-2H3/t11-,12-,13-,15-,20+,21+/m1/s1
SMILES: C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]5[C@@H]2[C@H]6[C@H]3[C@@H]4[C@@]5(O6)NCC7=CC=NC=C7
InChI: InChI=1S/C17H18N2O/c1-3-18-4-2-7(1)6-19-17-14-9-5-8-10-11(9)15(17)13(10)16(20-17)12(8)14/h1-4,8-16,19H,5-6H2/t8-,9+,10-,11+,12+,13+,14+,15+,16-,17+/m0/s1
SMILES: C/C/1=C/[C@@H]2[C@@H]([C@@H](/C=C(\C=C/C1)/C=O)OC(=O)C(C)C)C(=C)C(=O)O2
InChI: InChI=1S/C19H22O5/c1-11(2)18(21)23-16-9-14(10-20)7-5-6-12(3)8-15-17(16)13(4)19(22)24-15/h5,7-11,15-17H,4,6H2,1-3H3/b7-5-,12-8-,14-9+/t15-,16-,17+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OCC7=CC=CC=C7)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C49H39NO7/c1-29(51)31-17-19-34(20-18-31)50-47(55)38-24-23-36-40(44(38)48(50)56)26-41-46(54)39(32-13-7-3-8-14-32)27-43(53)49(41,33-15-9-4-10-16-33)45(36)37-22-21-35(25-42(37)52)57-28-30-11-5-2-6-12-30/h2-23,25,27,38,40-41,44-45,52H,24,26,28H2,1H3/t38-,40+,41-,44-,45+,49-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C5(OCCO5)C)C)C
InChI: InChI=1S/C25H38O4/c1-16(26)29-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)27-13-14-28-25)24(20,3)12-10-21(19)23/h5,18-22H,6-15H2,1-4H3/t18-,19-,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@H](C1=CC=C(C=C1)Br)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H16BrNO4/c1-9(10-2-4-11(18)5-3-10)19-8-17-7-6-12(23-17)13(16(21)22)14(17)15(19)20/h2-7,9,12-14H,8H2,1H3,(H,21,22)/t9-,12-,13-,14-,17-/m1/s1
SMILES: C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CBr)CO
InChI: InChI=1S/C30H49BrO2/c1-19(17-31)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-27(4)12-11-24(33)26(2,3)22(27)10-13-29(23,28)6/h20-25,32-33H,1,7-18H2,2-6H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCCCCCBr)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H60BrN3O8SSi2/c1-24-21-37(30(39)36(28(24)38)20-18-16-14-12-13-15-17-19-34)29-27(44-48(10,11)32(5,6)7)33(25(35)23-46(40,41)45-33)26(43-29)22-42-47(8,9)31(2,3)4/h21,23,26-27,29H,12-20,22,35H2,1-11H3/t26-,27+,29-,33-/m1/s1