EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[NH+](C)[C@@H]1[C@H](C2=CC=CC3=C2C1=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H19ClN2O2S/c1-23(2)20-17-8-4-6-13-5-3-7-16(18(13)17)19(20)22-26(24,25)15-11-9-14(21)10-12-15/h3-12,19-20,22H,1-2H3/p+1/t19-,20-/m0/s1
SMILES: C=C[C@@H]1CC[C@H]([C@@H](C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)O
InChI: InChI=1S/C25H27NO3S/c1-2-19-12-15-25(27)24(16-19)26(18-20-8-4-3-5-9-20)30(28,29)23-14-13-21-10-6-7-11-22(21)17-23/h2-11,13-14,17,19,24-25,27H,1,12,15-16,18H2/t19-,24-,25-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)O[C@@H](CC2=C)C3=CC=CC=C3
InChI: InChI=1S/C17H22O/c1-12-8-9-15-13(2)11-16(18-17(15)10-12)14-6-4-3-5-7-14/h3-7,12,15-17H,2,8-11H2,1H3/t12-,15-,16+,17-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCC6=CC=CC=C6F)CCCCO)CCCCO)SC7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C49H56FNO7S/c1-2-26-56-49-45(59-38-22-20-33-13-3-4-14-34(33)28-38)31-43(51-58-46-19-9-12-27-54-46)40-29-35(15-7-10-24-52)39(17-8-11-25-53)47(48(40)49)41-30-37(21-23-44(41)57-49)55-32-36-16-5-6-18-42(36)50/h2-6,13-14,16,18,20-23,28-30,35,39,45-48,52-53H,1,7-12,15,17,19,24-27,31-32H2/t35-,39+,45-,46?,47+,48+,49+/m0/s1
SMILES: CC(=O)C[C@H]([C@H]1[C@@H](O[C@@]([C@](O1)(C)OC)(C)OC)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C19H38O7Si/c1-13(20)11-14(21)16-15(12-24-27(9,10)17(2,3)4)25-18(5,22-7)19(6,23-8)26-16/h14-16,21H,11-12H2,1-10H3/t14-,15+,16+,18-,19-/m1/s1
SMILES: CC1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N
InChI: InChI=1S/C30H26N4O8/c1-18-32-29(31)33-30(38)34(18)25-24(42-28(37)21-15-9-4-10-16-21)23(41-27(36)20-13-7-3-8-14-20)22(40-25)17-39-26(35)19-11-5-2-6-12-19/h2-16,22-25H,17H2,1H3,(H2,31,33,38)/t22-,23-,24-,25-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C[C@@H]4[C@@H](O3)C[C@@H]5[C@@H](O4)C[C@@H]6[C@@H](O5)CCCO6)O
InChI: InChI=1S/C31H42O6Si/c1-31(2,3)38(21-11-6-4-7-12-21,22-13-8-5-9-14-22)34-20-30-23(32)17-26-28(37-30)19-29-27(36-26)18-25-24(35-29)15-10-16-33-25/h4-9,11-14,23-30,32H,10,15-20H2,1-3H3/t23-,24-,25+,26+,27-,28-,29+,30+/m0/s1
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)CNC(=O)C5CCCO5)C6=CC=C(C=C6)F
InChI: InChI=1S/C33H34FN3O9/c1-37(2)25-20-12-15-10-19-18(14-5-7-17(34)8-6-14)11-16(13-36-32(44)21-4-3-9-46-21)26(38)23(19)27(39)22(15)29(41)33(20,45)30(42)24(28(25)40)31(35)43/h5-8,11,15,20-22,24-25,38,45H,3-4,9-10,12-13H2,1-2H3,(H2,35,43)(H,36,44)/t15-,20-,21?,22?,24?,25-,33-/m0/s1
SMILES: CCC1=CC=C(C=C1)CN2C=C(N=N2)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI: InChI=1S/C20H23N5O5/c1-2-12-3-5-13(6-4-12)8-24-10-15(22-23-24)14-9-25(20(29)21-19(14)28)18-7-16(27)17(11-26)30-18/h3-6,9-10,16-18,26-27H,2,7-8,11H2,1H3,(H,21,28,29)/t16-,17+,18+/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8
InChI: InChI=1S/C39H31ClN2O6/c1-48-26-15-18-32(43)30(20-26)34-27-16-17-28-33(37(46)41(35(28)44)24-12-6-3-7-13-24)29(27)21-31-36(45)42(25-14-8-11-23(40)19-25)38(47)39(31,34)22-9-4-2-5-10-22/h2-16,18-20,28-29,31,33-34,43H,17,21H2,1H3/t28-,29+,31-,33-,34+,39+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]24[C@H](O4)C5=NC6=CC=CC=C6S5)CCC7=C3C=CC(=C7)OCC=C
InChI: InChI=1S/C29H31NO2S/c1-3-16-31-19-9-11-20-18(17-19)8-10-22-21(20)12-14-28(2)23(22)13-15-29(28)26(32-29)27-30-24-6-4-5-7-25(24)33-27/h3-7,9,11,17,21-23,26H,1,8,10,12-16H2,2H3/t21-,22-,23+,26-,28+,29+/m1/s1
SMILES: C1[C@@H]([C@@H](N(C1=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C(=O)Cl
InChI: InChI=1S/C21H24ClNO2/c22-20(25)17-9-18(24)23(19(17)16-4-2-1-3-5-16)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,13-15,17,19H,6-12H2/t13?,14?,15?,17-,19-,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)C4=CC=CC=C4CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSCCO
InChI: InChI=1S/C44H48N2O7S2/c1-30-12-22-38(23-13-30)55(50,51)46-40(26-32-8-4-3-5-9-32)43(49)45-27-37-10-6-7-11-39(37)34-18-20-36(21-19-34)44-52-41(29-54-25-24-47)31(2)42(53-44)35-16-14-33(28-48)15-17-35/h3-23,31,40-42,44,46-48H,24-29H2,1-2H3,(H,45,49)/t31-,40-,41+,42+,44+/m1/s1
SMILES: CC[C@@]12CCC[N+]3([C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC)[O-]
InChI: InChI=1S/C21H24N2O3/c1-3-21-10-6-11-23(25)12-9-15-14-7-4-5-8-16(14)22(18(15)19(21)23)17(13-21)20(24)26-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+,23?/m1/s1
SMILES: COCCOC(=O)[C@@H]1[C@H](N2C(=NC=N2)NC1=C)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C19H24N4O6/c1-11-15(18(24)29-7-6-25-2)16(23-19(22-11)20-10-21-23)12-8-13(26-3)17(28-5)14(9-12)27-4/h8-10,15-16H,1,6-7H2,2-5H3,(H,20,21,22)/t15-,16+/m0/s1
SMILES: COC1=C(C=C(C=C1)CCO[C@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC
InChI: InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=C(C=CC(=C2)F)F)C(=O)O
InChI: InChI=1S/C14H15F2NO3/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](OC(O[C@H]2C3=CC=C(C=C3)CO)C4=CC(=CC=C4)N)CSC5=NC=NN5
InChI: InChI=1S/C26H26N4O3S/c27-21-8-4-7-20(13-21)25-32-22(15-34-26-28-16-29-30-26)23(18-5-2-1-3-6-18)24(33-25)19-11-9-17(14-31)10-12-19/h1-13,16,22-25,31H,14-15,27H2,(H,28,29,30)/t22-,23-,24+,25?/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C28H38O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-8,20-25H,9-17H2,1-3H3/t20-,21+,22+,23-,24+,25+,27-,28-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H22O7/c1-12-3-7-14(8-4-12)19(23)26-11-16-18(17(22)21(25)27-16)28-20(24)15-9-5-13(2)6-10-15/h3-10,16-18,21-22,25H,11H2,1-2H3/t16-,17-,18-,21+/m0/s1
SMILES: CSCC[C@@H](C(=O)[O-])[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O
InChI: InChI=1S/C9H17NO5S2/c1-16-3-2-6(9(12)13)10-7-4-17(14,15)5-8(7)11/h6-8,10-11H,2-5H2,1H3,(H,12,13)/t6-,7+,8+/m0/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O
InChI: InChI=1S/C40H51NO16/c1-7-40(51)14-23(29-32(39(40)50)36(49)31-30(35(29)48)33(46)27-20(43)8-9-21(44)28(27)34(31)47)55-25-12-18(41(5)6)37(16(3)53-25)57-26-13-22(45)38(17(4)54-26)56-24-11-10-19(42)15(2)52-24/h8-9,15-18,22-26,37-39,43-45,48-51H,7,10-14H2,1-6H3/t15-,16-,17-,18-,22-,23-,24-,25-,26-,37+,38+,39+,40+/m0/s1
SMILES: C[C@@]12C=C[C@@H](O1)[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)Br
InChI: InChI=1S/C15H12BrNO3/c1-15-6-5-10(20-15)11-12(15)14(19)17(13(11)18)9-4-2-3-8(16)7-9/h2-7,10-12H,1H3/t10-,11-,12-,15+/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)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C46H48N4O5/c1-32-41(29-49-24-22-46(23-25-49)45(53)48-31-50(46)40-16-6-3-7-17-40)54-44(55-42(32)35-20-18-33(30-51)19-21-35)39-15-9-14-38(27-39)37-13-8-10-34(26-37)28-47-43(52)36-11-4-2-5-12-36/h2-21,26-27,32,41-42,44,51H,22-25,28-31H2,1H3,(H,47,52)(H,48,53)/t32-,41+,42+,44+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)CC6=CC(=CC=C6)OC
InChI: InChI=1S/C49H62N2O8/c1-5-24-51(46(54)30-36-18-15-20-38(29-36)55-4)45-33-43(50-58-34-35-16-9-8-10-17-35)41-31-37(19-11-13-25-52)40(21-12-14-26-53)47-42-32-39(56-27-6-2)22-23-44(42)59-49(45,48(41)47)57-28-7-3/h6-10,15-18,20,22-23,29,31-32,37,40,45,47-48,52-53H,2-3,5,11-14,19,21,24-28,30,33-34H2,1,4H3/t37-,40+,45-,47+,48+,49+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C(C(=O)O)C(=O)O
InChI: InChI=1S/C10H14O9/c11-4-2-10(19,9(17)18)1-3(6(4)12)5(7(13)14)8(15)16/h3-6,11-12,19H,1-2H2,(H,13,14)(H,15,16)(H,17,18)/t3-,4-,6-,10+/m1/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NCC4(CCCCC4)C5=CC(=CC=C5)OC
InChI: InChI=1S/C31H41NO3/c1-29-15-8-16-30(2,27(29)14-12-22-11-13-24(33)20-26(22)29)28(34)32-21-31(17-5-4-6-18-31)23-9-7-10-25(19-23)35-3/h7,9-11,13,19-20,27,33H,4-6,8,12,14-18,21H2,1-3H3,(H,32,34)/t27-,29-,30+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@]([C@]2(C(O1)COC(O2)C3=CC=CC=C3)OC)(O)OC)O
InChI: InChI=1S/C31H50O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(32)39-29-27(33)30(34,35-2)31(36-3)25(38-29)23-37-28(40-31)24-20-17-16-18-21-24/h16-18,20-21,25,27-29,33-34H,4-15,19,22-23H2,1-3H3/t25?,27-,28?,29-,30-,31+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C18H28N2O5S2/c1-14-4-3-5-18(15(14)2)19-26(21,22)16-6-8-17(9-7-16)27(23,24)20-10-12-25-13-11-20/h6-9,14-15,18-19H,3-5,10-13H2,1-2H3/t14-,15+,18+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=C(C=CC(=C6)F)NC5=O
InChI: InChI=1S/C23H20FN3O4/c1-31-14-7-5-13(6-8-14)27-20(28)18-17-3-2-10-26(17)23(19(18)21(27)29)15-11-12(24)4-9-16(15)25-22(23)30/h4-9,11,17-19H,2-3,10H2,1H3,(H,25,30)/t17-,18+,19+,23-/m1/s1
SMILES: C1CC[C@H]2CN(C[C@H]2C1)C(=O)C/C(=C\C3=CC=CC=C3)/C(=O)O
InChI: InChI=1S/C19H23NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,10,15-16H,4-5,8-9,11-13H2,(H,22,23)/b17-10+/t15-,16+
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]([C@@H]3OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7
InChI: InChI=1S/C45H50O10/c1-43(2)44(3)24-25-45(43,55-41(44)47)42(48)54-40-37(51-27-31-16-10-6-11-17-31)35(46)36(50-26-30-14-8-5-9-15-30)38(39(40)53-28-32-18-12-7-13-19-32)52-29-33-20-22-34(49-4)23-21-33/h5-23,35-40,46H,24-29H2,1-4H3/t35-,36-,37+,38+,39+,40-,44+,45-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])O3)OC
InChI: InChI=1S/C16H17NO6/c1-21-8-3-4-9(12(7-8)22-2)17-15(18)13-10-5-6-11(23-10)14(13)16(19)20/h3-7,10-11,13-14H,1-2H3,(H,17,18)(H,19,20)/p-1/t10-,11+,13+,14+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H]6[C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C(=O)O6)C)C)C(=C)C
InChI: InChI=1S/C37H57NO5/c1-21(2)20-25(30(39)42-9)38-31(40)37-17-12-23(22(3)4)29(37)24-10-11-26-33(5)15-14-28-36(8,32(41)43-28)27(33)13-16-35(26,7)34(24,6)18-19-37/h21,23-29H,3,10-20H2,1-2,4-9H3,(H,38,40)/t23-,24+,25-,26+,27+,28+,29+,33+,34+,35+,36-,37-/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C
InChI: InChI=1S/C23H22N2O3/c1-14-10-11-17(12-15(14)2)24-21(26)16-6-5-7-18(13-16)25-22(27)19-8-3-4-9-20(19)23(25)28/h3-7,10-13,19-20H,8-9H2,1-2H3,(H,24,26)/t19-,20-/m0/s1
SMILES: CC1=C(C(=NN1)NN=N[C@@H]2COC(O[C@@H]2C3=CC=CC=C3)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C22H25N5O2/c1-15-19(16-10-6-4-7-11-16)21(25-23-15)26-27-24-18-14-28-22(2,3)29-20(18)17-12-8-5-9-13-17/h4-13,18,20H,14H2,1-3H3,(H2,23,24,25,26)/t18-,20-/m1/s1
SMILES: CC[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H]3[C@H](C[C@H]([C@@]4(O3)C=CC[C@@H](O4)CC[C@]5(CO5)C)C)C
InChI: InChI=1S/C36H52O4Si/c1-8-29(25-38-41(34(4,5)6,31-17-11-9-12-18-31)32-19-13-10-14-20-32)33-27(2)24-28(3)36(40-33)22-15-16-30(39-36)21-23-35(7)26-37-35/h9-15,17-20,22,27-30,33H,8,16,21,23-26H2,1-7H3/t27-,28+,29-,30+,33-,35-,36-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C24H26N2O3/c1-14-7-3-6-10-21(14)25-15(2)24(29)26-16-11-12-19-20(13-16)23(28)18-9-5-4-8-17(18)22(19)27/h4-5,8-9,11-15,21,25H,3,6-7,10H2,1-2H3,(H,26,29)/t14-,15+,21+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)N5C=CN=N5)C)C
InChI: InChI=1S/C23H33N3O2/c1-15(27)28-17-8-10-22(2)16(14-17)4-5-18-19-6-7-21(26-13-12-24-25-26)23(19,3)11-9-20(18)22/h4,12-13,17-21H,5-11,14H2,1-3H3/t17-,18?,19?,20?,21-,22-,23-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@@H](CC3=CC=CC=C3)C(=O)NCC(C)(C)CO)O
InChI: InChI=1S/C30H49N3O4/c1-29(2,3)32-28(37)25-16-22-13-9-10-14-23(22)17-33(25)18-26(35)24(15-21-11-7-6-8-12-21)27(36)31-19-30(4,5)20-34/h6-8,11-12,22-26,34-35H,9-10,13-20H2,1-5H3,(H,31,36)(H,32,37)/t22-,23+,24+,25-,26+/m0/s1
SMILES: CC1(OC[C@]2(O1)[C@@H]([C@H]3[C@@H](CO2)O[C@H](O3)[C@@H]4C[C@H]4C5=CC=CC=C5)OCC6=CC=C(C=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C32H34O6/c1-31(2)35-20-32(38-31)29(33-18-21-13-15-23(16-14-21)22-9-5-3-6-10-22)28-27(19-34-32)36-30(37-28)26-17-25(26)24-11-7-4-8-12-24/h3-16,25-30H,17-20H2,1-2H3/t25-,26+,27+,28+,29+,30+,32-/m0/s1
SMILES: CC1=C[C@@H]([C@@](C[C@H]1O)(C=C)NC(=O)C(Cl)(Cl)Cl)[C@H]2COC(O2)(C)C
InChI: InChI=1S/C16H22Cl3NO4/c1-5-15(20-13(22)16(17,18)19)7-11(21)9(2)6-10(15)12-8-23-14(3,4)24-12/h5-6,10-12,21H,1,7-8H2,2-4H3,(H,20,22)/t10-,11-,12-,15+/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C(C)(C)[C@H](C#N)OC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C40H45NO5S/c1-29-20-22-33(23-21-29)47-38-37(45-27-32-18-12-7-13-19-32)36(44-26-31-16-10-6-11-17-31)34(28-43-25-30-14-8-5-9-15-30)46-39(38)40(2,3)35(24-41)42-4/h5-23,34-39H,25-28H2,1-4H3/t34-,35+,36-,37+,38-,39-/m1/s1
SMILES: CCOC(=O)/C=C\[C@H]1[C@H](OC(O1)(C)C)C(=O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H32O6Si/c1-9-21-15(20)11-10-14-16(24-18(5,6)23-14)13(19)12-22-25(7,8)17(2,3)4/h10-11,14,16H,9,12H2,1-8H3/b11-10-/t14-,16+/m0/s1
SMILES: COC(=O)C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H40O7/c1-39-34(38)22-32-35(41-24-29-16-8-3-9-17-29)37(43-26-31-20-12-5-13-21-31)36(42-25-30-18-10-4-11-19-30)33(44-32)27-40-23-28-14-6-2-7-15-28/h2-21,32-33,35-37H,22-27H2,1H3/t32-,33+,35+,36+,37+/m0/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C(=CC3=O)NCCS(=O)(=O)O)CCC=C2C)C
InChI: InChI=1S/C23H33NO5S/c1-15-6-5-7-21-22(15,3)9-8-16(2)23(21,4)14-17-12-20(26)18(13-19(17)25)24-10-11-30(27,28)29/h6,12-13,16,21,24H,5,7-11,14H2,1-4H3,(H,27,28,29)/t16-,21+,22+,23+/m0/s1
SMILES: CC(C)(C)C(=O)OCC[C@@H]1[C@@H](C[C@@H]([C@@H](O1)C/C=C/C#C[Si](C)(C)C(C)(C)C)Cl)Br
InChI: InChI=1S/C23H38BrClO3Si/c1-22(2,3)21(26)27-14-13-19-17(24)16-18(25)20(28-19)12-10-9-11-15-29(7,8)23(4,5)6/h9-10,17-20H,12-14,16H2,1-8H3/b10-9+/t17-,18+,19-,20+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC4=C(CCCC4)C=C3
InChI: InChI=1S/C22H25NO5/c24-19(16-10-9-14-5-1-2-6-15(14)11-16)13-28-20(25)12-23-21(26)17-7-3-4-8-18(17)22(23)27/h9-11,17-18H,1-8,12-13H2/t17-,18-/m1/s1
SMILES: CC[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)C)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H24N2O4/c1-5-19(18(24)25-4)14-13(16(22)21(6-2)17(14)23)15(20-19)12-9-7-11(3)8-10-12/h7-10,13-15,20H,5-6H2,1-4H3/p+1/t13-,14-,15-,19-/m0/s1
SMILES: C1CN(C[C@@H]([C@H]1NC2=NC=NC3=C2C=NN3)F)CC(C4=CC=C(C=C4)C(F)F)(F)F
InChI: InChI=1S/C19H19F5N6/c20-14-8-30(9-19(23,24)12-3-1-11(2-4-12)16(21)22)6-5-15(14)28-17-13-7-27-29-18(13)26-10-25-17/h1-4,7,10,14-16H,5-6,8-9H2,(H2,25,26,27,28,29)/t14-,15-/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@H]([C@H]([NH+]2C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H18ClFN2O3/c23-13-5-9-15(10-6-13)26-21(28)17-16-2-1-11-25(16)19(18(17)22(26)29)20(27)12-3-7-14(24)8-4-12/h3-10,16-19H,1-2,11H2/p+1/t16-,17-,18-,19+/m1/s1
SMILES: CCCCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C17H27N5O4/c1-2-3-4-5-6-7-8-12-10-22(17(25)19-16(12)24)15-9-13(20-21-18)14(11-23)26-15/h10,13-15,23H,2-9,11H2,1H3,(H,19,24,25)/t13-,14+,15+/m0/s1
SMILES: C1CN2[C@H]([C@H]1O)[C@H]([C@H]3[C@@H](C2=O)O3)OCC4=CC=CC=C4
InChI: InChI=1S/C15H17NO4/c17-10-6-7-16-11(10)12(13-14(20-13)15(16)18)19-8-9-4-2-1-3-5-9/h1-5,10-14,17H,6-8H2/t10-,11+,12+,13-,14-/m0/s1
SMILES: C[C@H]1C=C([C@H]2[C@@H]([C@@]1(COC2=C(C)C)COC(=O)C)C)C
InChI: InChI=1S/C17H26O3/c1-10(2)16-15-11(3)7-12(4)17(9-20-16,13(15)5)8-19-14(6)18/h7,12-13,15H,8-9H2,1-6H3/t12-,13-,15-,17+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CN2C3=CC=CC=C3C(=O)C2=O
InChI: InChI=1S/C20H24N2O5/c1-12-6-5-8-15(13(12)2)21-17(23)11-27-18(24)10-22-16-9-4-3-7-14(16)19(25)20(22)26/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,21,23)/t12-,13+,15+/m0/s1
SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=CC=C4)O
InChI: InChI=1S/C28H28O10/c1-14-10-18(31)23(26-22(14)19(32)12-17(36-26)11-15(2)30)27-28(25(35)24(34)20(13-29)37-27)38-21(33)9-8-16-6-4-3-5-7-16/h3-10,12,20,24-25,27-29,31,34-35H,11,13H2,1-2H3/b9-8+/t20-,24-,25+,27+,28-/m1/s1
SMILES: CC1([C@@]2([C@H]3C[C@@H]4C[C@H](C3)[C@]1([C@H]2C4)Cl)C(Cl)(Cl)Cl)C
InChI: InChI=1S/C14H18Cl4/c1-11(2)12(14(16,17)18)8-3-7-4-9(6-8)13(11,15)10(12)5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10+,12+,13-/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H40N5O13PSi/c1-24(2,3)45(5,6)43-25(4)19(13(11-31)41-21(25)30-9-7-15(26)27-22(30)35)42-44(37,38)39-12-14-17(33)18(34)20(40-14)29-10-8-16(32)28-23(29)36/h7-10,13-14,17-21,31,33-34H,11-12H2,1-6H3,(H,37,38)(H2,26,27,35)(H,28,32,36)/t13-,14-,17-,18-,19-,20-,21-,25-/m1/s1
SMILES: C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)NC4=N[C@@H]5CS(=O)(=O)C[C@H]5S4
InChI: InChI=1S/C21H22ClN5O3S2/c22-15-5-4-14(11-16(15)24-21-25-17-12-32(29,30)13-18(17)31-21)20(28)27-9-7-26(8-10-27)19-3-1-2-6-23-19/h1-6,11,17-18H,7-10,12-13H2,(H,24,25)/p+1/t17-,18-/m1/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC(=CS2)C3=CC=CC=C3Cl)C(=O)[O-]
InChI: InChI=1S/C17H15ClN2O3S/c18-13-8-4-3-7-12(13)14-9-24-17(19-14)20-15(21)10-5-1-2-6-11(10)16(22)23/h1-4,7-11H,5-6H2,(H,22,23)(H,19,20,21)/p-1/t10-,11+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2C3CO[C@@H](C3[C@@H](O2)O)C4=CC(=C(C=C4)O[C@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)OC)O
InChI: InChI=1S/C26H32O12/c1-33-16-7-11(3-5-14(16)28)22-13-10-35-23(19(13)25(31)38-22)12-4-6-15(17(8-12)34-2)36-24-18(9-27)37-26(32)21(30)20(24)29/h3-8,13,18-32H,9-10H2,1-2H3/t13?,18-,19?,20-,21-,22-,23-,24+,25-,26-/m1/s1
SMILES: CCCC[C@@]12C=CN(C[C@]13[C@H]2CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C22H31NO2S/c1-3-4-13-21-15-16-23(17-22(21)14-7-5-6-8-20(21)22)26(24,25)19-11-9-18(2)10-12-19/h9-12,15-16,20H,3-8,13-14,17H2,1-2H3/t20-,21-,22+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl
InChI: InChI=1S/C19H20Cl2N2O2S/c1-12-3-6-17-14(9-12)15-11-22(2)8-7-18(15)23(17)26(24,25)19-10-13(20)4-5-16(19)21/h3-6,9-10,15,18H,7-8,11H2,1-2H3/t15-,18+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC(=CC=C6)[N+](=O)[O-])Br)O
InChI: InChI=1S/C28H20BrN3O7/c1-38-22-13-16(12-20(29)25(22)33)24-23-26(39-31(24)17-8-5-9-18(14-17)32(36)37)28(35)30(27(23)34)21-11-4-7-15-6-2-3-10-19(15)21/h2-14,23-24,26,33H,1H3/t23-,24+,26+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=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)OCC5C(O5)(C)C
InChI: InChI=1S/C38H70O4Si2/c1-25(39-24-33-36(8,9)40-33)29-18-19-30-28-17-16-26-22-27(41-43(12,13)34(2,3)4)23-32(42-44(14,15)35(5,6)7)38(26,11)31(28)20-21-37(29,30)10/h16,25,27-33H,17-24H2,1-15H3/t25-,27+,28-,29+,30-,31-,32-,33?,37+,38-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C(=O)N(C1OC(=O)C)CC2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C17H19NO7/c1-10(19)23-14-15(24-11(2)20)17(25-12(3)21)18(16(14)22)9-13-7-5-4-6-8-13/h4-8,14-15,17H,9H2,1-3H3/t14-,15-,17?/m0/s1
SMILES: CC(C)(C)OP(=O)(O[C@@H]1[C@H]2[C@@H](CO[Si](O2)(C(C)(C)C)C(C)(C)C)O[C@H]1N3C=CC(=O)N(C3=O)C(=O)C4=CC=CC=C4)OC(C)(C)C
InChI: InChI=1S/C32H49N2O10PSi/c1-29(2,3)43-45(38,44-30(4,5)6)41-25-24-22(20-39-46(42-24,31(7,8)9)32(10,11)12)40-27(25)33-19-18-23(35)34(28(33)37)26(36)21-16-14-13-15-17-21/h13-19,22,24-25,27H,20H2,1-12H3/t22-,24-,25-,27-/m1/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=C(C=CC=C3Cl)Cl)C#N)OCC
InChI: InChI=1S/C17H16Cl2N4O2/c1-3-24-17(25-4-2)16(9-21)13(15(16,8-20)14(22)23-17)12-10(18)6-5-7-11(12)19/h5-7,13H,3-4H2,1-2H3,(H2,22,23)/p+1/t13-,15-,16-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])OC
InChI: InChI=1S/C17H21NO5/c1-22-11-5-6-12(13(8-11)23-2)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h5-6,8-10,14-15H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/p-1/t9-,10-,14-,15-/m0/s1
SMILES: CC(=C1[C@H]2CC[C@@H]1[C@@H]([C@@H]2C(=O)NCCC3=CC(=CC=C3)Cl)C(=O)[O-])C
InChI: InChI=1S/C20H24ClNO3/c1-11(2)16-14-6-7-15(16)18(20(24)25)17(14)19(23)22-9-8-12-4-3-5-13(21)10-12/h3-5,10,14-15,17-18H,6-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t14-,15+,17-,18+/m1/s1
SMILES: CCCCCCCCC[C@@]1(CC[C@H]([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)C)O
InChI: InChI=1S/C21H36O/c1-3-4-5-6-7-8-9-13-21(22)14-12-16(2)19-17-10-11-18(15-17)20(19)21/h10-11,16-20,22H,3-9,12-15H2,1-2H3/t16-,17+,18-,19+,20-,21+/m1/s1
SMILES: COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C(=C(S3)C(=O)N)N)OC)OC
InChI: InChI=1S/C14H20N4O5S/c1-20-4-6-9(21-2)10(22-3)14(23-6)18-5-17-13-8(18)7(15)11(24-13)12(16)19/h5-6,9-10,14H,4,15H2,1-3H3,(H2,16,19)/t6-,9-,10-,14-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C42H42N4O8/c1-26-35(23-45-19-17-42(18-20-45)41(51)44-25-46(42)32-5-3-2-4-6-32)52-40(53-36(26)29-11-9-28(24-47)10-12-29)30-13-7-27(8-14-30)22-43-37(48)31-15-16-33-34(21-31)39(50)54-38(33)49/h2-16,21,26,35-36,40,47H,17-20,22-25H2,1H3,(H,43,48)(H,44,51)/t26-,35+,36+,40?/m0/s1
SMILES: CC1=CC[C@@H]([C@H]([C@H]1CC(=O)N(C)OC)CO[Si](C)(C)C(C)(C)C)C(C)C
InChI: InChI=1S/C21H41NO3Si/c1-15(2)17-12-11-16(3)18(13-20(23)22(7)24-8)19(17)14-25-26(9,10)21(4,5)6/h11,15,17-19H,12-14H2,1-10H3/t17-,18+,19-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H](C(=CC3=CC(=C(C=C23)O)OC)C(=O)OC)C(=O)OC)O
InChI: InChI=1S/C22H22O8/c1-27-17-8-11(5-6-15(17)23)19-13-10-16(24)18(28-2)9-12(13)7-14(21(25)29-3)20(19)22(26)30-4/h5-10,19-20,23-24H,1-4H3/t19-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=COCCO)OC5(O3)CC6=CC=CC=C6C5
InChI: InChI=1S/C41H50N2O11/c1-40(2,3)53-35(46)14-13-31(25-45)42-37(47)32-12-7-16-43(32)38(48)30-21-33(51-39(49)27-11-6-8-26(20-27)15-18-50-19-17-44)36-34(22-30)52-41(54-36)23-28-9-4-5-10-29(28)24-41/h4-6,8-11,15,18,20,22,31-34,36,44-45H,7,12-14,16-17,19,21,23-25H2,1-3H3,(H,42,47)/t31-,32+,33+,34+,36-/m0/s1
SMILES: C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)OC(=O)C3=CC=C(C=C3)Br)O
InChI: InChI=1S/C15H18BrNO5/c16-9-3-1-8(2-4-9)15(21)22-14-11(19)7-17-6-5-10(18)12(17)13(14)20/h1-4,10-14,18-20H,5-7H2/t10-,11-,12+,13+,14+/m0/s1
SMILES: CCCCCCCCCCCCOC1[C@@H]2[C@H](OC1CNC(=O)NC3=CC=C(C=C3)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)O)OC(O2)(C)C
InChI: InChI=1S/C49H78N6O13/c1-8-9-10-11-12-13-14-15-16-17-25-65-41-37(66-47-42(41)67-49(6,7)68-47)29-50-48(64)51-33-22-20-32(21-23-33)27-38(56)52-34(26-30(2)3)43(59)53-35(28-39(57)58)44(60)54-40(31(4)5)45(61)55-24-18-19-36(55)46(62)63/h20-23,30-31,34-37,40-42,47H,8-19,24-29H2,1-7H3,(H,52,56)(H,53,59)(H,54,60)(H,57,58)(H,62,63)(H2,50,51,64)/t34-,35-,36-,37?,40-,41?,42+,47+/m0/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15-,17+,18+,19-,23-,24-,25+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)CC(=O)N
InChI: InChI=1S/C20H26N5O14P/c21-11(27)5-8-16(9(6-26)37-17(8)24-3-1-12(28)22-19(24)32)39-40(34,35)36-7-10-14(30)15(31)18(38-10)25-4-2-13(29)23-20(25)33/h1-4,8-10,14-18,26,30-31H,5-7H2,(H2,21,27)(H,34,35)(H,22,28,32)(H,23,29,33)/t8-,9-,10-,14-,15-,16+,17-,18-/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)C4=CC=CC(=C4)CNS(=O)(=O)C5=CC=CC=C5)CN(C)CCC6=CC=CC=N6
InChI: InChI=1S/C40H43N3O5S/c1-29-38(27-43(2)23-21-36-14-6-7-22-41-36)47-40(48-39(29)32-19-17-30(28-44)18-20-32)35-13-9-12-34(25-35)33-11-8-10-31(24-33)26-42-49(45,46)37-15-4-3-5-16-37/h3-20,22,24-25,29,38-40,42,44H,21,23,26-28H2,1-2H3/t29-,38+,39+,40+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC
InChI: InChI=1S/C22H31NO5/c1-14-8-6-10-18(15(14)2)23-22(25)16(3)28-20(24)13-12-17-9-7-11-19(26-4)21(17)27-5/h7,9,11-16,18H,6,8,10H2,1-5H3,(H,23,25)/b13-12+/t14-,15-,16-,18+/m1/s1
SMILES: CC(=CCCC(=C)C#CC1=C[C@H]([C@H]2[C@@H](C1O)O2)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C22H34O3Si/c1-15(2)10-9-11-16(3)12-13-17-14-18(20-21(24-20)19(17)23)25-26(7,8)22(4,5)6/h10,14,18-21,23H,3,9,11H2,1-2,4-8H3/t18-,19?,20+,21-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H31N3O3S/c1-16-7-6-10-19(17(16)2)21-20(24)15-22-11-13-23(14-12-22)27(25,26)18-8-4-3-5-9-18/h3-5,8-9,16-17,19H,6-7,10-15H2,1-2H3,(H,21,24)/p+1/t16-,17+,19-/m0/s1