EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)N[C@H]5C[C@H]([C@@H]([C@H]([C@@H]5O)O)O)[NH3+])NC(=O)N[C@@H]6C[C@@H]([C@H]([C@@H]([C@H]6O)O)O)[NH3+]
InChI: InChI=1S/C35H43N7O8/c1-2-42-26-13-18(39-35(50)41-25-15-23(37)29(44)33(48)31(25)46)9-11-20(26)19-10-8-17(12-21(19)27(42)16-6-4-3-5-7-16)38-34(49)40-24-14-22(36)28(43)32(47)30(24)45/h3-13,22-25,28-33,43-48H,2,14-15,36-37H2,1H3,(H3,38,40,41,49,50)/p+3/t22-,23+,24+,25-,28+,29-,30-,31+,32-,33+/m1/s1
SMILES: C[C@@H](CCC[C@H](C)C(=O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI: InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h11,19-22,24H,8-10,12-18H2,1-7H3,(H,32,33)/t19-,20-,21-,22-,24+,28+,29-,30+/m0/s1
SMILES: C1CCN(CC1)CCCOCC2[C@H]3[C@@H]2CN(C3)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C21H30F2N2O/c22-17-9-16(10-18(23)11-17)12-25-13-19-20(14-25)21(19)15-26-8-4-7-24-5-2-1-3-6-24/h9-11,19-21H,1-8,12-15H2/t19-,20+,21?
SMILES: C[C@@]1(C[C@H]([C@]2([C@@H]1CN(C2)CC3=CC=CC=C3OC)O)O)O
InChI: InChI=1S/C16H23NO4/c1-15(19)7-14(18)16(20)10-17(9-13(15)16)8-11-5-3-4-6-12(11)21-2/h3-6,13-14,18-20H,7-10H2,1-2H3/t13-,14-,15+,16+/m1/s1
SMILES: CCN1CC[C@@]([C@@H](C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C20H23NO2/c1-2-21-14-13-20(23,17-11-7-4-8-12-17)18(15-21)19(22)16-9-5-3-6-10-16/h3-12,18,23H,2,13-15H2,1H3/t18-,20-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C)[C@@H](C(F)(F)F)NC2=CC=C(C=C2)OC)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C28H36F3NO3/c1-18-11-16-23(27(3,4)20-9-7-6-8-10-20)24(17-18)35-26(33)19(2)25(28(29,30)31)32-21-12-14-22(34-5)15-13-21/h6-10,12-15,18-19,23-25,32H,11,16-17H2,1-5H3/t18-,19-,23-,24-,25+/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F
InChI: InChI=1S/C15H16FNO4/c1-8-5-12(8)15(20)21-7-14(19)11-4-3-10(6-13(11)16)17-9(2)18/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)/t8-,12-/m0/s1
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C(=O)O)C4=C(C)C
InChI: InChI=1S/C23H26N2O3S/c1-4-13-5-7-14(8-6-13)17-11-29-23(24-17)25-21(26)19-15-9-10-16(18(15)12(2)3)20(19)22(27)28/h5-8,11,15-16,19-20H,4,9-10H2,1-3H3,(H,27,28)(H,24,25,26)/t15-,16+,19-,20-/m0/s1
SMILES: C[C@]12[C@@H](C[C@@H]([C@H](O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5C/C=C\C[C@@H]6[C@H](/C=C\C[C@H]([C@@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)O[C@@H]5C[C@H]2OCC9=CC=CC=C9
InChI: InChI=1S/C58H66O9/c1-58-56(63-40-47-28-15-6-16-29-47)35-53-51(66-57(58)34-52(62-39-46-26-13-5-14-27-46)55(67-58)42-60-37-44-22-9-3-10-23-44)31-18-17-30-49-50(64-53)33-19-32-48(61-38-45-24-11-4-12-25-45)54(65-49)41-59-36-43-20-7-2-8-21-43/h2-29,33,48-57H,30-32,34-42H2,1H3/b18-17-,33-19-/t48-,49-,50+,51+,52+,53-,54+,55-,56-,57-,58+/m1/s1
SMILES: CO[C@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)N)O)C(=O)NCCCCCC(=O)N
InChI: InChI=1S/C16H31N3O8/c1-26-16(15(25)19-6-4-2-3-5-11(17)23)7-9(21)12(18)14(27-16)13(24)10(22)8-20/h9-10,12-14,20-22,24H,2-8,18H2,1H3,(H2,17,23)(H,19,25)/t9-,10+,12+,13+,14+,16-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)C2(CCCCC2)N(C)C(=O)[C@@H]3[C@H](C3(C)C)C=C(C)C
InChI: InChI=1S/C25H36N2O2/c1-17(2)16-19-21(24(19,4)5)22(28)27(6)25(14-10-7-11-15-25)23(29)26-20-13-9-8-12-18(20)3/h8-9,12-13,16,19,21H,7,10-11,14-15H2,1-6H3,(H,26,29)/t19-,21+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)C(=O)[O-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H23NO9/c1-10(21)20-14-15(27-11(2)22)16(28-12(3)23)17(18(24)25)29-19(14)26-9-13-7-5-4-6-8-13/h4-8,14-17,19H,9H2,1-3H3,(H,20,21)(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC5(O4)CC6=CC=CC=C6C5)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C44H52N2O13/c1-42(2,3)58-36(50)17-15-31(24-47)46-34(48)18-19-45-39(51)30-20-32(37-33(21-30)57-44(59-37)22-28-8-6-7-9-29(28)23-44)55-40(52)27-13-10-26(11-14-27)12-16-35(49)56-38-41(53)54-25-43(38,4)5/h6-14,16,21,31-33,37-38,47H,15,17-20,22-25H2,1-5H3,(H,45,51)(H,46,48)/t31-,32+,33+,37-,38-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C
InChI: InChI=1S/C22H35N3O3S/c1-16-13-18(3)22(19(4)14-16)29(27,28)25-11-9-24(10-12-25)15-21(26)23-20-8-6-5-7-17(20)2/h13-14,17,20H,5-12,15H2,1-4H3,(H,23,26)/p+1/t17-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CO[C@@H]([C@@H]([C@H]2OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)OC
InChI: InChI=1S/C27H30O11S3/c1-18-5-11-21(12-6-18)39(28,29)36-24-17-35-27(34-4)26(38-41(32,33)23-15-9-20(3)10-16-23)25(24)37-40(30,31)22-13-7-19(2)8-14-22/h5-16,24-27H,17H2,1-4H3/t24-,25-,26+,27-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]([C@H]1COC(=O)[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/C52H74O6Si2/c1-34(2)59(35(3)4,36(5)6)57-50(44-27-25-42(47(31-44)54-13)29-40-21-17-15-18-22-40)46-33-56-52(53)49(46)51(58-60(37(7)8,38(9)10)39(11)12)45-28-26-43(48(32-45)55-14)30-41-23-19-16-20-24-41/h15-28,31-32,34-39,46,49-51H,29-30,33H2,1-14H3/t46-,49-,50-,51+/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H16Cl3N3O4S/c1-32-22(31)19-18(11-2-4-12(23)5-3-11)16(9-26)21(28-20(19)30)33-10-17(29)27-15-7-13(24)6-14(25)8-15/h2-8,18-19H,10H2,1H3,(H,27,29)(H,28,30)/t18-,19-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H](C3=C(O2)C=C(C=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C31H30O5/c32-26-16-17-27-28(18-26)36-29(22-33-19-23-10-4-1-5-11-23)31(35-21-25-14-8-3-9-15-25)30(27)34-20-24-12-6-2-7-13-24/h1-18,29-32H,19-22H2/t29-,30-,31+/m1/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)CC=C)O)(C)O)C)C)N(C(=O)O2)NCCCN4C=NC5=CC=CC=C54)C
InChI: InChI=1S/C42H62FN5O10/c1-11-19-46(10)30-21-25(4)55-37(33(30)50)57-36-27(6)35(51)41(8,43)38(52)56-31(12-2)42(9)34(26(5)32(49)24(3)22-40(36,7)54)48(39(53)58-42)45-18-15-20-47-23-44-28-16-13-14-17-29(28)47/h11,13-14,16-17,23-27,30-31,33-34,36-37,45,50,54H,1,12,15,18-22H2,2-10H3/t24-,25-,26+,27+,30+,31-,33-,34?,36-,37?,40-,41+,42-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCOC(=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H20N2O6/c30-25-23-21-17-5-1-2-6-18(17)22(20-8-4-3-7-19(20)21)24(23)26(31)28(25)13-14-35-27(32)15-9-11-16(12-10-15)29(33)34/h1-12,21-24H,13-14H2/t21?,22?,23-,24-/m1/s1
SMILES: CCCC[C@@]12[C@]3([C@@H](O1)CC[C@@](C2(OC)OC)(O3)C)C
InChI: InChI=1S/C15H26O4/c1-6-7-9-14-13(3)11(18-14)8-10-12(2,19-13)15(14,16-4)17-5/h11H,6-10H2,1-5H3/t11-,12-,13+,14-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H]3[C@@H](CC[C@]2(CCC1=O)C)[C@@](C(=O)O3)(C)[Se]C4=CC=CC=C4
InChI: InChI=1S/C21H26O3Se/c1-13-16(22)10-12-20(2)11-9-15-18(17(13)20)24-19(23)21(15,3)25-14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3/t13-,15-,17-,18+,20+,21-/m1/s1
SMILES: CC1=C2CC[C@@]3([C@@H]([C@]2(C=C(C1=O)O)C)CC[C@H]4[C@]3(CC[C@@]5([C@@H]4[C@@H](CC5)C(C)C)C(=O)O)C)C
InChI: InChI=1S/C29H42O4/c1-16(2)18-9-12-29(25(32)33)14-13-27(5)20(23(18)29)7-8-22-26(4)15-21(30)24(31)17(3)19(26)10-11-28(22,27)6/h15-16,18,20,22-23,30H,7-14H2,1-6H3,(H,32,33)/t18-,20+,22+,23+,26-,27+,28+,29-/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH2+]CC(OC)OC)CO3
InChI: InChI=1S/C19H31NO5/c1-18-5-4-6-19(11-24-19)15(18)7-12-13(17(21)25-14(12)8-18)9-20-10-16(22-2)23-3/h12-16,20H,4-11H2,1-3H3/p+1/t12-,13-,14-,15+,18-,19+/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CCN(CC5)C
InChI: InChI=1S/C20H27N5O5/c1-10-14(24-6-4-23(2)5-7-24)17(27)13-11(9-30-19(21)28)20(29-3)18-12(22-18)8-25(20)15(13)16(10)26/h11-12,18,22H,4-9H2,1-3H3,(H2,21,28)/t11-,12+,18+,20-/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@]5([C@H]([C@]23O)OC(=O)C)[C@]6(C[C@@H]([C@H]7C[C@@H]4C6[C@H]7OC)O)OCO5)OC)C
InChI: InChI=1S/C26H39NO8/c1-6-27-11-22(3)8-7-17(31-4)24-15-9-14-16(29)10-23(18(15)19(14)32-5)25(20(24)27,34-12-33-23)21(26(22,24)30)35-13(2)28/h14-21,29-30H,6-12H2,1-5H3/t14-,15-,16+,17+,18?,19+,20+,21-,22+,23-,24-,25+,26+/m1/s1
SMILES: COC(=O)C1=C2[C@@H]([C@H]([C@@H]([C@H](N2C=C1)CO)O)O)NC(=O)C(F)(F)F
InChI: InChI=1S/C13H15F3N2O6/c1-24-11(22)5-2-3-18-6(4-19)9(20)10(21)7(8(5)18)17-12(23)13(14,15)16/h2-3,6-7,9-10,19-21H,4H2,1H3,(H,17,23)/t6-,7+,9-,10-/m1/s1
SMILES: CCCC[C@@H]1[C@@H]([C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)C
InChI: InChI=1S/C19H30O3/c1-5-6-12-17-15(2)18(22-19(3,4)21-17)14-20-13-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3/t15-,17+,18-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C22H26N2O5/c1-12-9-13(2)19(14(3)10-12)23-18(25)11-29-22(28)15(4)24-20(26)16-7-5-6-8-17(16)21(24)27/h5-6,9-10,15-17H,7-8,11H2,1-4H3,(H,23,25)/t15-,16-,17+/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)OC
InChI: InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](SC3=CC=CC4=C3[N+]2=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H18NS/c1-3-9-18(10-4-1)22-23(19-11-5-2-6-12-19)25-20-15-7-13-17-14-8-16-24(22)21(17)20/h1-16,22-23H/q+1/t22-,23+/m1/s1
SMILES: COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13-,14+,15+,16+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)O
InChI: InChI=1S/C24H20N2O4/c27-19-13-11-17(12-14-19)21-20-22(30-26(21)18-9-5-2-6-10-18)24(29)25(23(20)28)15-16-7-3-1-4-8-16/h1-14,20-22,27H,15H2/t20-,21+,22+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=CS2
InChI: InChI=1S/C19H27NO4S/c1-12-6-4-7-15(13(12)2)20-19(23)14(3)24-18(22)10-9-16(21)17-8-5-11-25-17/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,20,23)/t12-,13-,14-,15-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COCCCCCCOC(=O)C=C)O)O
InChI: InChI=1S/C17H29NO8/c1-3-13(20)25-9-7-5-4-6-8-24-10-12-15(21)16(22)14(17(23)26-12)18-11(2)19/h3,12,14-17,21-23H,1,4-10H2,2H3,(H,18,19)/t12-,14-,15-,16-,17-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H24N2O5S/c1-14-5-2-3-8-18(14)22-21(24)15-6-4-7-17(11-15)29(25,26)23-16-9-10-19-20(12-16)28-13-27-19/h4,6-7,9-12,14,18,23H,2-3,5,8,13H2,1H3,(H,22,24)/t14-,18-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)CCC[N+](C)(C)C)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O.[I-]
InChI: InChI=1S/C39H53N3O5.HI/c1-39(2,3)47-38(46)40-33(24-28-13-8-7-9-14-28)34(43)26-31(23-29-20-18-27(19-21-29)15-12-22-42(4,5)6)37(45)41-36-32-17-11-10-16-30(32)25-35(36)44;/h7-11,13-14,16-21,31,33-36,43-44H,12,15,22-26H2,1-6H3,(H-,40,41,45,46);1H/t31-,33+,34+,35-,36+;/m1./s1
SMILES: CCC1([C@@H](C[C@](O1)(C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)OC)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)O
InChI: InChI=1S/C32H59NO11/c1-13-32(37)17(2)15-31(8,44-32)27(43-29-24(34)22(33(9)10)14-18(3)40-29)19(4)25(20(5)28(36)38-11)42-23-16-30(7,39-12)26(35)21(6)41-23/h17-27,29,34-35,37H,13-16H2,1-12H3/t17-,18-,19+,20-,21+,22+,23+,24-,25+,26+,27-,29+,30-,31-,32?/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O4/c1-29-19-14-12-17(13-15-19)25-23(27)20-21(16-8-4-2-5-9-16)26(30-22(20)24(25)28)18-10-6-3-7-11-18/h2-15,20-22H,1H3/t20-,21+,22+/m1/s1
SMILES: C/C/1=C/C(=O)C/C(=C\[C@H](C(=O)/C(=C\[C@@H]2[C@@H](C2(C)C)CC1)/C)O)/C
InChI: InChI=1S/C20H28O3/c1-12-6-7-16-17(20(16,4)5)11-14(3)19(23)18(22)10-13(2)9-15(21)8-12/h8,10-11,16-18,22H,6-7,9H2,1-5H3/b12-8-,13-10-,14-11-/t16-,17+,18+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C\C3=CC=C(C=C3)N(C)C)/C(=O)N2CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H37N3O10S/c1-19(37)42-18-27-28(43-20(2)38)29(44-21(3)39)30(45-22(4)40)32(46-27)47-33-34-26(16-23-12-14-25(15-13-23)35(5)6)31(41)36(33)17-24-10-8-7-9-11-24/h7-16,27-30,32H,17-18H2,1-6H3/b26-16-/t27-,28-,29+,30-,32+/m1/s1
SMILES: C1CCOC(C1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)CO
InChI: InChI=1S/C15H21N5O5/c16-13-10-14(18-6-17-13)20(7-19-10)15-11(22)12(8(5-21)24-15)25-9-3-1-2-4-23-9/h6-9,11-12,15,21-22H,1-5H2,(H2,16,17,18)/t8-,9?,11-,12-,15-/m1/s1
SMILES: CC1=C(O[C@H]2[C@@]1(C[C@@H](O2)C3=COC=C3)C4=CC=CC5=C4COC5=O)C
InChI: InChI=1S/C20H18O5/c1-11-12(2)24-19-20(11,8-17(25-19)13-6-7-22-9-13)16-5-3-4-14-15(16)10-23-18(14)21/h3-7,9,17,19H,8,10H2,1-2H3/t17-,19-,20-/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)NC(=O)CC5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C23H20N2O3/c26-18(12-14-6-3-5-13-4-1-2-7-15(13)14)24-25-21(27)19-16-8-9-17(20(19)22(25)28)23(16)10-11-23/h1-9,16-17,19-20H,10-12H2,(H,24,26)/t16-,17+,19-,20-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN(CCC5=CC=CS5)S(=O)(=O)C)O)C)O
InChI: InChI=1S/C27H39NO4S2/c1-25-12-8-20(29)17-19(25)6-7-22-23(25)9-13-26(2)24(22)10-14-27(26,30)18-28(34(3,31)32)15-11-21-5-4-16-33-21/h4-7,16,20,23-24,29-30H,8-15,17-18H2,1-3H3/t20-,23-,24-,25-,26-,27+/m0/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)CC6CCCC6)C
InChI: InChI=1S/C34H46N2O7/c1-34(2)22-9-8-21(25(34)15-22)17-36(28(39)14-19-6-4-5-7-19)26-16-24(33(41)35-10-11-37)29-23-12-20(18-38)13-27(42-3)31(23)43-32(29)30(26)40/h12-13,16,18-19,21-22,25-26,29-30,32,37,40H,4-11,14-15,17H2,1-3H3,(H,35,41)/t21-,22-,25-,26+,29-,30-,32-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H23NO4/c1-12(21)20-17-6-4-14(5-7-17)18(22)11-24-19(23)10-16-9-13-2-3-15(16)8-13/h4-7,13,15-16H,2-3,8-11H2,1H3,(H,20,21)/t13-,15+,16+/m0/s1
SMILES: C1CN(CCN1CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)S(=O)(=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C21H24BrN3O4S/c22-16-3-5-17(6-4-16)30(28,29)24-10-7-23(8-11-24)9-12-25-20(26)18-14-1-2-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2/t14-,15+,18+,19-
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3Cl)(F)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H37ClF2N4O3Si2/c1-20(2,3)33(7,8)30-11-14-16(32-34(9,10)21(4,5)6)22(24,25)19(31-14)29-13-28-15-17(23)26-12-27-18(15)29/h12-14,16,19H,11H2,1-10H3/t14-,16-,19+/m0/s1
SMILES: C/C(=C\C1=CC=CC=C1)/[C@@H]2[C@](C(=O)N2C3=CC=C(C=C3)OC)(C)SC4=CC=CC=C4
InChI: InChI=1S/C26H25NO2S/c1-19(18-20-10-6-4-7-11-20)24-26(2,30-23-12-8-5-9-13-23)25(28)27(24)21-14-16-22(29-3)17-15-21/h4-18,24H,1-3H3/b19-18+/t24-,26+/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@H](CC[C@@]([C@@H](O2)CC#N)(C)O)O[C@@H]1CCC3COC(O3)(C)C)O
InChI: InChI=1S/C21H35NO6/c1-19(2)25-13-14(28-19)5-6-17-20(3,23)10-7-16-15(26-17)8-11-21(4,24)18(27-16)9-12-22/h14-18,23-24H,5-11,13H2,1-4H3/t14?,15-,16+,17+,18-,20-,21+/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H](O1)C(=O)N(C)C)[C@@H]([C@H]2COC(O2)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H37NO5Si/c1-12(15-16(23-15)17(21)20(7)8)14(13-11-22-19(5,6)24-13)25-26(9,10)18(2,3)4/h12-16H,11H2,1-10H3/t12-,13-,14+,15+,16-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@@H](S2)CO)O)O
InChI: InChI=1S/C10H14N2O5S/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6+,7+,9+/m0/s1
SMILES: CC1=C(C(=CC=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(OC)OC)C
InChI: InChI=1S/C29H27NO4/c1-16-10-9-15-22(17(16)2)30-26(31)24-23-18-11-5-7-13-20(18)29(25(24)27(30)32,28(33-3)34-4)21-14-8-6-12-19(21)23/h5-15,23-25,28H,1-4H3/t23?,24-,25+,29?/m0/s1
SMILES: C1=CC=C(C=C1)COC/C=C/[C@@H]([C@@H]2[C@H](O2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C21H24O4/c22-19(12-7-13-23-14-17-8-3-1-4-9-17)21-20(25-21)16-24-15-18-10-5-2-6-11-18/h1-12,19-22H,13-16H2/b12-7+/t19-,20+,21+/m0/s1
SMILES: CC1=C(C(=C(C=C1)O)O)CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C
InChI: InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1
SMILES: CCC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]4C([C@@H](C[C@@H](O4)C)N(C)C)O)(C)OC/C=C/C5=CN=C6C=CC(=CC6=C5)OC)C)C)C
InChI: InChI=1S/C46H66N4O10/c1-12-14-36-46(8)40-28(4)37(47-18-19-50(40)44(54)60-46)26(2)24-45(7,56-20-13-15-31-22-32-23-33(55-11)16-17-34(32)48-25-31)41(29(5)38(51)30(6)42(53)58-36)59-43-39(52)35(49(9)10)21-27(3)57-43/h13,15-17,22-23,25-30,35-36,39-41,43,52H,12,14,18-21,24H2,1-11H3/b15-13+/t26-,27+,28+,29+,30-,35-,36-,39?,40-,41-,43-,45+,46-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O
InChI: InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17+,18+,21-,22-,23-,24+,26-,27-/m0/s1
SMILES: C1=C[C@]2([C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)CO
InChI: InChI=1S/C15H11ClN2O6/c16-8-2-1-7(18(22)23)5-9(8)17-13(20)11-10-3-4-15(6-19,24-10)12(11)14(17)21/h1-5,10-12,19H,6H2/t10-,11-,12+,15-/m1/s1
SMILES: [2H][C@]1([C@H](O[C@@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC)COC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C28H30O7/c1-31-28-26(33-18-21-13-7-3-8-14-21)25(32-17-20-11-5-2-6-12-20)24(29)23(35-28)19-34-27(30)22-15-9-4-10-16-22/h2-16,23-26,28-29H,17-19H2,1H3/t23-,24-,25+,26-,28+/m1/s1/i24D
SMILES: CN1C2=C(C(=O)N(C1=O)C)[C@]3(C(=O)C4=CC=CC=C4[C@]3(N2)O)O
InChI: InChI=1S/C15H13N3O5/c1-17-11-9(12(20)18(2)13(17)21)14(22)10(19)7-5-3-4-6-8(7)15(14,23)16-11/h3-6,16,22-23H,1-2H3/t14-,15+/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4
InChI: InChI=1S/C23H29N5O3/c1-17-8-6-7-11-23(17)21(30)28(22(31)25-23)16-20(29)26(2)13-19-12-24-27(15-19)14-18-9-4-3-5-10-18/h3-5,9-10,12,15,17H,6-8,11,13-14,16H2,1-2H3,(H,25,31)/t17-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)N2[C@@]3(CCCCC[C@H]3C(=N2)C(F)(F)F)O
InChI: InChI=1S/C17H19F3N2O3/c1-25-12-8-6-11(7-9-12)15(23)22-16(24)10-4-2-3-5-13(16)14(21-22)17(18,19)20/h6-9,13,24H,2-5,10H2,1H3/t13-,16-/m0/s1
SMILES: CC[C@H]1C[C@]2(C(=O)CC[C@]2([C@@H]1C(=O)C3=CC=CC=C3)O)C
InChI: InChI=1S/C18H22O3/c1-3-12-11-17(2)14(19)9-10-18(17,21)15(12)16(20)13-7-5-4-6-8-13/h4-8,12,15,21H,3,9-11H2,1-2H3/t12-,15-,17-,18+/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=CC=CC=C56
InChI: InChI=1S/C24H18N2O3/c1-13(27)14-6-7-19-15(8-14)9-20(25-19)23(29)26-12-16-11-24(16)18-5-3-2-4-17(18)21(28)10-22(24)26/h2-10,16,25H,11-12H2,1H3/t16-,24-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C28H46O11/c1-15(29)35-20-19(39-24(33)28(11,12)13)18(38-23(32)27(8,9)10)17(37-22(31)26(5,6)7)16(36-20)14-34-21(30)25(2,3)4/h16-20H,14H2,1-13H3/t16-,17-,18+,19-,20+/m1/s1
SMILES: C1CO[C@@H]([C@@H](N1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C19H17F6NO2/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)11-28-17-16(26-6-7-27-17)13-4-2-1-3-5-13/h1-5,8-10,16-17,26H,6-7,11H2/t16-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\C4=CC(=C(C(=C4)OC)OC)OC)/C2=O)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C29H34O5/c1-29-11-10-22-21-9-7-20(31-2)15-18(21)6-8-23(22)24(29)16-19(28(29)30)12-17-13-25(32-3)27(34-5)26(14-17)33-4/h7,9,12-15,22-24H,6,8,10-11,16H2,1-5H3/b19-12+/t22-,23-,24+,29+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2[C@@H]1C(N3C2[C@](C4=C3C=C(C=C4OCC5=CC=CC=C5)C(=O)OC)(CO[Si](C)(C)C(C)(C)C)C=O)O
InChI: InChI=1S/C33H44N2O8Si/c1-31(2,3)43-30(39)35-25-26(35)28(37)34-22-15-21(29(38)40-7)16-23(41-17-20-13-11-10-12-14-20)24(22)33(18-36,27(25)34)19-42-44(8,9)32(4,5)6/h10-16,18,25-28,37H,17,19H2,1-9H3/t25-,26+,27?,28?,33-,35?/m0/s1
SMILES: CCC[C@H](CC(=C)C[C@@H](C)C1(SCCCS1)[C@@H](C[C@H]2C[C@@H]([C@@H](O2)CCCC[C@H](C)C(=O)O)C)OC(=O)C)O
InChI: InChI=1S/C30H52O6S2/c1-7-11-25(32)17-20(2)16-23(5)30(37-14-10-15-38-30)28(35-24(6)31)19-26-18-22(4)27(36-26)13-9-8-12-21(3)29(33)34/h21-23,25-28,32H,2,7-19H2,1,3-6H3,(H,33,34)/t21-,22-,23+,25+,26+,27-,28+/m0/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=O)N5CCN(CC5)C6=CC=C(C=C6)F
InChI: InChI=1S/C41H47FN4O5/c1-2-22-46-36(27-43-41(48)45-25-23-44(24-26-45)35-20-18-34(42)19-21-35)37(49-28-31-12-6-3-7-13-31)38(50-29-32-14-8-4-9-15-32)39(40(46)47)51-30-33-16-10-5-11-17-33/h3-21,36-39H,2,22-30H2,1H3,(H,43,48)/t36-,37-,38-,39-/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H20N2O5/c22-17(20-12-5-6-15-16(11-12)26-10-9-25-15)7-8-21-18(23)13-3-1-2-4-14(13)19(21)24/h1-2,5-6,11,13-14H,3-4,7-10H2,(H,20,22)/t13-,14-/m0/s1
SMILES: COC1=CC=CC(=C1)CCN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(=O)CCC5CCCC5
InChI: InChI=1S/C34H44N2O8/c1-42-24-9-5-8-22(16-24)12-14-36(29(39)11-10-21-6-3-4-7-21)27-19-26(34(41)35-13-15-37)30-25-17-23(20-38)18-28(43-2)32(25)44-33(30)31(27)40/h5,8-9,16-19,21,27,30-31,33,37-38,40H,3-4,6-7,10-15,20H2,1-2H3,(H,35,41)/t27-,30+,31+,33+/m1/s1
SMILES: C1[C@@H]2CN(C[C@H]2N1)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C54
InChI: InChI=1S/C17H16N2O2S/c20-22(21)16-4-2-1-3-13(16)14-7-12(5-6-17(14)22)19-9-11-8-18-15(11)10-19/h1-7,11,15,18H,8-10H2/t11-,15-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3C4CC5CC(C4)CC3C5
InChI: InChI=1S/C21H30N2O3/c24-18(22-19-14-8-12-7-13(10-14)11-15(19)9-12)5-6-23-20(25)16-3-1-2-4-17(16)21(23)26/h12-17,19H,1-11H2,(H,22,24)/t12?,13?,14?,15?,16-,17-,19?/m0/s1
SMILES: C[C@H]1CC[C@H](C[C@@H]1OC(=O)C2=C(NC(=O)[C@@H]2CC(=O)[O-])C)C(C)C
InChI: InChI=1S/C18H27NO5/c1-9(2)12-6-5-10(3)14(7-12)24-18(23)16-11(4)19-17(22)13(16)8-15(20)21/h9-10,12-14H,5-8H2,1-4H3,(H,19,22)(H,20,21)/p-1/t10-,12+,13+,14-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C19H19ClN2O3S/c1-12-3-6-16(9-13(12)2)22-18-11-26(24,25)10-17(18)21(19(22)23)15-7-4-14(20)5-8-15/h3-9,17-18H,10-11H2,1-2H3/t17-,18+/m1/s1
SMILES: CC[C@@H]1C2COC(=O)OCC2C3CC[C@@H]4[C@@H]5C3=C1CN([C@@]5(COC4OCC6=C(C=C(C=C6)F)C(F)(F)F)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C33H41F4NO7/c1-6-19-22-12-38(29(39)45-31(2,3)4)32(5)16-44-28(41-13-17-7-8-18(34)11-25(17)33(35,36)37)21-10-9-20(26(22)27(21)32)24-15-43-30(40)42-14-23(19)24/h7-8,11,19-21,23-24,27-28H,6,9-10,12-16H2,1-5H3/t19-,20?,21+,23?,24?,27+,28?,32+/m0/s1
SMILES: C[C@]12CC/C(=N/NC3=NC=CC=N3)/C[C@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C
InChI: InChI=1S/C27H36N4O3/c1-25-9-6-19(30-31-24-28-12-3-13-29-24)15-18(25)4-5-22-21(25)7-10-26(2)20(8-11-27(22,26)33)17-14-23(32)34-16-17/h3,12-14,18,20-22,33H,4-11,15-16H2,1-2H3,(H,28,29,31)/b30-19-/t18-,20-,21+,22-,25+,26-,27+/m1/s1
SMILES: C1CO[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C17H16ClNO/c18-12-6-7-15-14(10-12)17-13(8-9-20-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,19H,8-9H2/t13-,16+,17-/m0/s1
SMILES: C[C@H]1[C@@H](O[Si@@](N1C)(C2=CC=CC=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C16H18ClNOSi/c1-13-16(14-9-5-3-6-10-14)19-20(17,18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16+,20-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3[C@H]([C@@H]6[C@H]4O6)O
InChI: InChI=1S/C18H21NO4/c1-19-6-5-18-11-8-3-4-10(21-2)14(11)23-17(18)13(20)16-15(22-16)12(18)9(19)7-8/h3-4,9,12-13,15-17,20H,5-7H2,1-2H3/t9-,12+,13-,15-,16+,17+,18+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC=C([C@@H](O2)CBr)COCC3=CC=C(C=C3)OC)(C)C)Br
InChI: InChI=1S/C23H32Br2O3/c1-22(2)20-10-7-17(15-27-14-16-5-8-18(26-4)9-6-16)19(13-24)28-23(20,3)12-11-21(22)25/h5-9,19-21H,10-15H2,1-4H3/t19-,20-,21-,23-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C=C4CC(CC4=C3)(C#N)C#N
InChI: InChI=1S/C16H16N2/c17-8-16(9-18)6-12-4-14-10-1-2-11(3-10)15(14)5-13(12)7-16/h4-5,10-11,14-15H,1-3,6-7H2/t10-,11+,14+,15-
SMILES: CC(=O)NC(CC(=O)C1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)C(=O)O
InChI: InChI=1S/C18H24N2O10/c1-7(22)20-9(17(27)28)5-10(23)8-3-2-4-11(13(8)19)29-18-16(26)15(25)14(24)12(6-21)30-18/h2-4,9,12,14-16,18,21,24-26H,5-6,19H2,1H3,(H,20,22)(H,27,28)/t9?,12-,14-,15+,16-,18-/m1/s1
SMILES: CC(=O)NC1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Br
InChI: InChI=1S/C20H19BrN2O/c1-12(24)22-15-9-10-19-18(11-15)16-3-2-4-17(16)20(23-19)13-5-7-14(21)8-6-13/h2-3,5-11,16-17,20,23H,4H2,1H3,(H,22,24)/t16-,17+,20-/m0/s1
SMILES: C[C@]1(CC2=C([C@H]([C@@H]1C(=O)OC)C3=CC(=CC=C3)Br)C(=O)NN2)O
InChI: InChI=1S/C16H17BrN2O4/c1-16(22)7-10-12(14(20)19-18-10)11(13(16)15(21)23-2)8-4-3-5-9(17)6-8/h3-6,11,13,22H,7H2,1-2H3,(H2,18,19,20)/t11-,13-,16-/m1/s1
SMILES: CCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C16H25N3O6/c1-2-3-4-5-6-12(21)17-11-7-8-19(16(24)18-11)15-14(23)13(22)10(9-20)25-15/h7-8,10,13-15,20,22-23H,2-6,9H2,1H3,(H,17,18,21,24)/t10-,13-,14+,15-/m1/s1