EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1C(C(C(C(O1)O[C@@H]2[C@H]3[C@](O3)(C4C2C=CO[C@H]4OC5C(C(C(C(O5)CO)O)O)O)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O)O
InChI: InChI=1S/C31H40O17/c1-12-20(35)22(37)24(39)29(44-12)46-26-14-7-8-42-28(47-30-25(40)23(38)21(36)17(10-32)45-30)19(14)31(27(26)48-31)11-43-18(34)6-4-13-3-5-15(33)16(9-13)41-2/h3-9,12,14,17,19-30,32-33,35-40H,10-11H2,1-2H3/t12?,14?,17?,19?,20?,21?,22?,23?,24?,25?,26-,27-,28-,29?,30?,31+/m0/s1
SMILES: CN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)C(F)(F)F)N4C1=N[C@H]5[C@@H]4COC5
InChI: InChI=1S/C18H16F3N5O2/c1-25-16(27)14-15(26-12-8-28-7-11(12)22-17(25)26)24-13(23-14)6-9-2-4-10(5-3-9)18(19,20)21/h2-5,11-12H,6-8H2,1H3,(H,23,24)/t11-,12+/m1/s1
SMILES: CC1=CC2=C(C=C1C(C)C)C(=CC(=O)O2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C22H23NO4/c1-12(2)17-10-18-14(9-20(24)27-19(18)8-13(17)3)11-23-21(25)15-6-4-5-7-16(15)22(23)26/h4-5,8-10,12,15-16H,6-7,11H2,1-3H3/t15-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=CC(=C(C=C3S2)Cl)Cl)O
InChI: InChI=1S/C16H13Cl2NO3S/c1-22-9-4-2-8(3-5-9)15-14(20)16(21)19-12-6-10(17)11(18)7-13(12)23-15/h2-7,14-15,20H,1H3,(H,19,21)/t14-,15+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]4([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H42O13/c1-13-19(36)11-30(37)26(43-18(6)35)24-28(9,20(39-14(2)31)10-21(40-15(3)32)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/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)CCCCCNC(=O)C)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C45H54ClN3O6/c1-31-41(29-49-25-22-45(53,23-26-49)39-18-20-40(46)21-19-39)54-44(55-43(31)36-12-10-33(30-50)11-13-36)37-16-14-35(15-17-37)38-8-6-7-34(27-38)28-48-42(52)9-4-3-5-24-47-32(2)51/h6-8,10-21,27,31,41,43-44,50,53H,3-5,9,22-26,28-30H2,1-2H3,(H,47,51)(H,48,52)/t31-,41+,43+,44+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CCC(=O)O)Cl
InChI: InChI=1S/C16H17ClN2O5S2/c1-9-2-3-10(6-11(9)17)19-12-7-26(23,24)8-13(12)25-16(19)18-14(20)4-5-15(21)22/h2-3,6,12-13H,4-5,7-8H2,1H3,(H,21,22)/t12-,13+/m0/s1
SMILES: C/C/1=C/C[C@H]2[C@@H](CC[C@@]2(CC/C(=C\CC1)/COC(=O)C)C)C(=C)C
InChI: InChI=1S/C22H34O2/c1-16(2)20-12-14-22(5)13-11-19(15-24-18(4)23)8-6-7-17(3)9-10-21(20)22/h8-9,20-21H,1,6-7,10-15H2,2-5H3/b17-9-,19-8+/t20-,21-,22-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)O[C@H]2[C@@H](C=C[C@@H]([C@@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC)C(C)C
InChI: InChI=1S/C33H40O8/c1-21(2)25-16-15-22(3)19-28(25)38-20-29(34)40-30-26(37-4)17-18-27(39-32(35)23-11-7-5-8-12-23)31(30)41-33(36)24-13-9-6-10-14-24/h5-14,17-18,21-22,25-28,30-31H,15-16,19-20H2,1-4H3/t22-,25+,26-,27+,28-,30+,31+/m1/s1
SMILES: COC1=CC\2=C(C=C1)O[C@@H]([C@H](/C2=N/OC[C@H](COCC3=CC=CO3)O)O)C4=CC(=CC=C4)OC
InChI: InChI=1S/C25H27NO8/c1-29-18-6-3-5-16(11-18)25-24(28)23(21-12-19(30-2)8-9-22(21)34-25)26-33-14-17(27)13-31-15-20-7-4-10-32-20/h3-12,17,24-25,27-28H,13-15H2,1-2H3/b26-23+/t17-,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=C4CNC(=O)CCCC(=O)O)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C45H59N3O7/c1-29-39(27-48-37-13-8-6-10-32(37)24-25-38(48)43(53)47-45(2,3)4)54-44(55-42(29)33-18-16-30(28-49)17-19-33)34-22-20-31(21-23-34)36-12-7-5-11-35(36)26-46-40(50)14-9-15-41(51)52/h5,7,11-12,16-23,29,32,37-39,42,44,49H,6,8-10,13-15,24-28H2,1-4H3,(H,46,50)(H,47,53)(H,51,52)/t29-,32-,37-,38-,39+,42+,44+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3C[C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C40H47NO12/c1-21-26(52-36(48)32(45)31(24-13-9-7-10-14-24)41-35(47)25-15-11-8-12-16-25)18-39(49)19-27-38(6,28(44)17-29-40(27,20-50-29)53-23(3)43)34(46)33(51-22(2)42)30(21)37(39,4)5/h7-16,26-29,31-33,44-45,49H,17-20H2,1-6H3,(H,41,47)/t26-,27-,28-,29+,31-,32+,33+,38-,39+,40+/m0/s1
SMILES: C1CCOC(C1)O[C@@H]2C[C@@H]3CC4(C[C@@H]3[C@H]2C=O)OCCO4
InChI: InChI=1S/C16H24O5/c17-10-13-12-9-16(19-5-6-20-16)8-11(12)7-14(13)21-15-3-1-2-4-18-15/h10-15H,1-9H2/t11-,12+,13-,14-,15?/m1/s1
SMILES: CO[C@@H]1[C@@H](CC(=O)O[C@@H]([C@H]([C@@H]1O)O)C2=CC=CC=C2)O
InChI: InChI=1S/C14H18O6/c1-19-14-9(15)7-10(16)20-13(11(17)12(14)18)8-5-3-2-4-6-8/h2-6,9,11-15,17-18H,7H2,1H3/t9-,11+,12+,13-,14-/m1/s1
SMILES: CO[C@@H]1[C@H]2[C@H]([C@H]3[C@H](O1)COC(O3)C4=CC=CC=C4)OC(=O)[C@H](CC=CCCC(=O)O2)CC(=C)Br
InChI: InChI=1S/C25H29BrO8/c1-15(26)13-17-11-7-4-8-12-19(27)32-22-21(33-23(17)28)20-18(31-25(22)29-2)14-30-24(34-20)16-9-5-3-6-10-16/h3-7,9-10,17-18,20-22,24-25H,1,8,11-14H2,2H3/t17-,18-,20-,21+,22-,24?,25+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H24N2O9/c33-23-16-17-32(30(37)31-23)26-25(41-29(36)21-14-8-3-9-15-21)24(40-28(35)20-12-6-2-7-13-20)22(39-26)18-38-27(34)19-10-4-1-5-11-19/h1-17,22,24-26H,18H2,(H,31,33,37)/t22-,24-,25-,26-/m1/s1
SMILES: CCCC[Sn]CCCC.C1=CC=C(C=C1)COC2[C@@H]([C@H](C([C@H]([C@H]2O)O)OCC3=CC=CC=C3)O)O
InChI: InChI=1S/C20H24O6.2C4H9.Sn/c21-15-17(23)20(26-12-14-9-5-2-6-10-14)18(24)16(22)19(15)25-11-13-7-3-1-4-8-13;2*1-3-4-2;/h1-10,15-24H,11-12H2;2*1,3-4H2,2H3;/t15-,16-,17-,18+,19?,20?;;;/m1.../s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C(=O)C(=CC4=O)C
InChI: InChI=1S/C30H27NO5/c1-3-12-31-29(35)20-11-10-18-21(25(20)30(31)36)14-22-23(32)13-15(2)27(33)26(22)24(18)19-9-8-16-6-4-5-7-17(16)28(19)34/h4-10,13,20-21,24-25,34H,3,11-12,14H2,1-2H3/t20-,21+,24+,25-/m0/s1
SMILES: CC(=O)N(CC(=O)NCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)C2=CC=CC=C2
InChI: InChI=1S/C19H26N2O21S4/c1-11(22)21(18(24)12-5-3-2-4-6-12)9-14(23)20-7-8-37-19-17(42-46(34,35)36)16(41-45(31,32)33)15(40-44(28,29)30)13(39-19)10-38-43(25,26)27/h2-6,13,15-17,19H,7-10H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t13-,15-,16+,17+,19-/m1/s1
SMILES: C[C@@H]1C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C=C(C=C4O)C5=CC6=C(C(=C5)O)C(=O)C7=C(C6=O)[C@@H](O[C@@H]8[C@H]7OC(=O)C8)C
InChI: InChI=1S/C32H22O12/c1-9-21-25(31-17(41-9)7-19(35)43-31)29(39)23-13(27(21)37)3-11(5-15(23)33)12-4-14-24(16(34)6-12)30(40)26-22(28(14)38)10(2)42-18-8-20(36)44-32(18)26/h3-6,9-10,17-18,31-34H,7-8H2,1-2H3/t9-,10+,17-,18+,31+,32-
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCN(C)CC3=CC=CC=C3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C53H53N5O9/c1-33(2)43(49(61)65-4)55-52(64)57-40-27-26-34(19-16-28-56(3)32-35-17-8-5-9-18-35)31-39(40)53(51(57)63)42(48(54)60)45-50(62)67-46(37-22-12-7-13-23-37)44(36-20-10-6-11-21-36)58(45)47(53)38-24-14-15-25-41(38)66-30-29-59/h5-15,17-18,20-27,31,33,42-47,59H,28-30,32H2,1-4H3,(H2,54,60)(H,55,64)/t42-,43-,44-,45-,46+,47+,53-/m0/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C(=C(O2)N3C=CC(=O)NC3=O)O[Si](C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C24H44N2O7Si3/c1-15(2)35(16(3)4)29-14-19-21(32-36(33-35,17(5)6)18(7)8)22(31-34(9,10)11)23(30-19)26-13-12-20(27)25-24(26)28/h12-13,15-19,21H,14H2,1-11H3,(H,25,27,28)/t19-,21-/m1/s1
SMILES: CC1=C2C[C@]3(C[C@@H]1OC(=O)[C@@](C/C=C\CCC(=O)O[C@@]45CO[C@@H]4C[C@@H]([C@]([C@@H]5[C@@H]3OCC6=CC=CC=C6)(C[C@@H]2OC(=O)C)C)O)([C@H](C=C(C)C)NC(=O)OC(C)(C)C)O)O
InChI: InChI=1S/C45H61NO13/c1-26(2)19-33(46-40(51)59-41(5,6)7)44(53)18-14-10-13-17-36(49)58-45-25-55-35(45)20-34(48)42(8)22-32(56-28(4)47)30-21-43(52,23-31(27(30)3)57-39(44)50)38(37(42)45)54-24-29-15-11-9-12-16-29/h9-12,14-16,19,31-35,37-38,48,52-53H,13,17-18,20-25H2,1-8H3,(H,46,51)/b14-10-/t31-,32-,33-,34-,35+,37-,38-,42+,43+,44+,45-/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)[C@@H]3C=CC[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H26N2O3/c1-19-15-17-22(18-16-19)31-27(20-9-4-2-5-10-20)26(30(31)35)23-13-8-14-24-25(23)29(34)32(28(24)33)21-11-6-3-7-12-21/h2-13,15-18,23-27H,14H2,1H3/t23-,24+,25-,26-,27-/m1/s1
SMILES: CC1=CC2=C(C(=C1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)OC
InChI: InChI=1S/C24H23ClN4O5/c1-11-7-14-20(15(25)8-11)27-23(33)24(14)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-12-3-5-13(34-2)6-4-12/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/p+1/t16-,18-,19+,24-/m1/s1
SMILES: CCN1C[C@@]2(CCC(C34[C@@H]2CC(C31)C56C4CC(=O)C(C5)C(=C)[C@H]6O)O)C
InChI: InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12?,13?,15-,16?,17?,18?,19-,20+,21?,22?/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C2=C(C3=C(C(=C2O)O)C(=O)C4=CC(=C(C(=C4C3=O)C)C(=O)O)O)O)O)O)O
InChI: InChI=1S/C22H20O12/c1-4-8-6(3-7(23)9(4)22(32)33)14(25)10-11(15(8)26)16(27)12(18(29)17(10)28)21-20(31)19(30)13(24)5(2)34-21/h3,5,13,19-21,23-24,27-31H,1-2H3,(H,32,33)/t5-,13+,19+,20-,21+/m0/s1
SMILES: C1CCC(CC1)O[C@@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H38O5/c1-5-13-25(14-6-1)21-33-24-29-30(34-22-26-15-7-2-8-16-26)31(35-23-27-17-9-3-10-18-27)32(37-29)36-28-19-11-4-12-20-28/h1-3,5-10,13-18,28-32H,4,11-12,19-24H2/t29-,30-,31-,32+/m1/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H](O1)NC2=CC=C(C=C2)OC(F)(F)Cl)O)O)O
InChI: InChI=1S/C12H14ClF2NO5/c13-12(14,15)21-7-3-1-6(2-4-7)16-11-10(19)9(18)8(17)5-20-11/h1-4,8-11,16-19H,5H2/t8-,9-,10-,11-/m1/s1
SMILES: C[C@@]1(CC2=C([C@@H]([C@H]1C(=O)OC)C3=CC(=C(C=C3)OC)OC)C(=O)NN2)O
InChI: InChI=1S/C18H22N2O6/c1-18(23)8-10-14(16(21)20-19-10)13(15(18)17(22)26-4)9-5-6-11(24-2)12(7-9)25-3/h5-7,13,15,23H,8H2,1-4H3,(H2,19,20,21)/t13-,15-,18-/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@H]([NH2+][C@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CC(=O)N
InChI: InChI=1S/C19H22N4O4/c1-18(2,3)23-15(25)13-11(8-12(20)24)22-19(14(13)16(23)26)9-6-4-5-7-10(9)21-17(19)27/h4-7,11,13-14,22H,8H2,1-3H3,(H2,20,24)(H,21,27)/p+1/t11-,13-,14+,19+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@@]3(C4=CC=CC=C4)C(=O)N(C)OC
InChI: InChI=1S/C29H35NO3Si/c1-28(2,3)34(25-17-11-7-12-18-25,26-19-13-8-14-20-26)33-22-24-21-29(24,27(31)30(4)32-5)23-15-9-6-10-16-23/h6-20,24H,21-22H2,1-5H3/t24-,29+/m1/s1
SMILES: CC1=CC(=C(C=C1)CO[N+]2=C(C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)C.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C19H23N5O5.ClHO4/c1-10-3-4-12(11(2)5-10)7-28-24-9-22-18-14(17(24)20)21-8-23(18)19-16(27)15(26)13(6-25)29-19;2-1(3,4)5/h3-5,8-9,13,15-16,19-20,25-27H,6-7H2,1-2H3;(H,2,3,4,5)/t13-,15-,16-,19-;/m1./s1
SMILES: CC(C)NC(=O)C[N+]1(CCC(CC1)N2C(=O)[C@@H]3CC=CC[C@@H]3C(=N2)C4=CC(=C(C=C4)OC)OC)[O-]
InChI: InChI=1S/C26H36N4O5/c1-17(2)27-24(31)16-30(33)13-11-19(12-14-30)29-26(32)21-8-6-5-7-20(21)25(28-29)18-9-10-22(34-3)23(15-18)35-4/h5-6,9-10,15,17,19-21H,7-8,11-14,16H2,1-4H3,(H,27,31)/t19?,20-,21+,30?/m0/s1
SMILES: CS(=O)(=O)O[C@@H]1C[C@H]2CC[C@@H]1[C@H]2OS(=O)(=O)C
InChI: InChI=1S/C9H16O6S2/c1-16(10,11)14-8-5-6-3-4-7(8)9(6)15-17(2,12)13/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1
SMILES: CCC[C@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@@H]4[C@@H](C[C@@]3([C@@]2(O1)C(=O)O)C)O)C
InChI: InChI=1S/C24H32O6/c1-4-5-19-29-18-11-16-15-7-6-13-10-14(25)8-9-22(13,2)20(15)17(26)12-23(16,3)24(18,30-19)21(27)28/h8-10,15-20,26H,4-7,11-12H2,1-3H3,(H,27,28)/t15-,16+,17+,18+,19-,20-,22-,23-,24-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H31N3O/c1-22(2)19-9-7-16(8-10-19)13-21-20(24)15-23-12-11-17-5-3-4-6-18(17)14-23/h7-10,17-18H,3-6,11-15H2,1-2H3,(H,21,24)/t17-,18+/m0/s1
SMILES: CC(=O)C(=C)[C@H]1C[C@@H]2CN([C@H]1C(=C2)C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H19NO5/c1-8(9(2)17)11-5-10-6-12(14(18)20-3)13(11)16(7-10)15(19)21-4/h6,10-11,13H,1,5,7H2,2-4H3/t10-,11+,13+/m0/s1
SMILES: C1OC2=C(O1)C=C(C=C2)CN([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO)C(=O)C6=CC7=CC=CC=C7OC6=O
InChI: InChI=1S/C33H28N2O9/c36-12-11-34-31(38)21-15-23(29(37)30-28(21)20-6-2-4-8-25(20)43-30)35(16-18-9-10-26-27(13-18)42-17-41-26)32(39)22-14-19-5-1-3-7-24(19)44-33(22)40/h1-10,13-15,23,28-30,36-37H,11-12,16-17H2,(H,34,38)/t23-,28+,29+,30+/m1/s1
SMILES: CO[C@@H]1C[C@H]([C@@H](C[C@H]1O)[N+](=O)[O-])C2=C(C(=C(C=C2)OC)OC)OC
InChI: InChI=1S/C16H23NO7/c1-21-13-6-5-9(15(23-3)16(13)24-4)10-7-14(22-2)12(18)8-11(10)17(19)20/h5-6,10-12,14,18H,7-8H2,1-4H3/t10-,11+,12+,14+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)NCC2=CC=C(C=C2)OC(F)(F)F)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C24H25F6N3O3/c25-23(26,27)17-5-3-4-16(12-17)22(35)32-14-21(34)33-20-7-2-1-6-19(20)31-13-15-8-10-18(11-9-15)36-24(28,29)30/h3-5,8-12,19-20,31H,1-2,6-7,13-14H2,(H,32,35)(H,33,34)/t19-,20+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2C(=C=CCCCC=C)[C@@H]3[C@H](O2)OC(O3)(C)C)C
InChI: InChI=1S/C19H28O5/c1-6-7-8-9-10-11-13-15(14-12-20-18(2,3)22-14)21-17-16(13)23-19(4,5)24-17/h6,10,14-17H,1,7-9,12H2,2-5H3/t11?,14-,15+,16-,17-/m1/s1
SMILES: CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)[C@H]3CCNC[C@@H]3C(=O)N(CC4=C(C=CC(=C4)CNCCF)Cl)C5CC5)Cl
InChI: InChI=1S/C34H39Cl3FN3O3/c1-22-16-31(36)33(32(37)17-22)44-15-14-43-27-7-3-24(4-8-27)28-10-12-39-20-29(28)34(42)41(26-5-6-26)21-25-18-23(2-9-30(25)35)19-40-13-11-38/h2-4,7-9,16-18,26,28-29,39-40H,5-6,10-15,19-21H2,1H3/t28-,29+/m1/s1
SMILES: C[C@@H]1CC[C@H](C(=O)[C@@H]1[C@@]2(C(=N)C(CC2(C#N)C#N)C=O)C#N)C(C)C
InChI: InChI=1S/C19H22N4O2/c1-11(2)14-5-4-12(3)15(16(14)25)19(10-22)17(23)13(7-24)6-18(19,8-20)9-21/h7,11-15,23H,4-6H2,1-3H3/t12-,13?,14+,15-,19-/m1/s1
SMILES: CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(CN)C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)C
InChI: InChI=1S/C25H36N2O3/c1-17-14-20(19-10-7-6-8-11-19)25(16-26,15-18(17)2)23(29)27-13-9-12-21(27)22(28)30-24(3,4)5/h6-8,10-11,20-21H,9,12-16,26H2,1-5H3/t20-,21-,25-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[Se][Se][C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O10Se2/c13-1-3-5(15)7(17)9(19)11(21-3)23-24-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1
SMILES: CC(C)C1=C[C@@]23CC[C@H]4[C@@]([C@@H]2C[C@@H]1[C@@H]5[C@@H]3C(=O)C=CC5=O)(CCC[C@@]4(C)C(=O)[O-])C
InChI: InChI=1S/C26H34O4/c1-14(2)16-13-26-11-8-19-24(3,9-5-10-25(19,4)23(29)30)20(26)12-15(16)21-17(27)6-7-18(28)22(21)26/h6-7,13-15,19-22H,5,8-12H2,1-4H3,(H,29,30)/p-1/t15-,19-,20-,21-,22-,24-,25+,26-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)CCN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(=O)C5CC5
InChI: InChI=1S/C31H38N2O9/c1-39-20-6-7-24(40-2)19(14-20)8-10-33(31(38)18-4-5-18)23-15-22(30(37)32-9-11-34)26-21-12-17(16-35)13-25(41-3)28(21)42-29(26)27(23)36/h6-7,12-15,18,23,26-27,29,34-36H,4-5,8-11,16H2,1-3H3,(H,32,37)/t23-,26+,27+,29+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@]3(C(=O)NC(=O)N3)C(C2)(F)F
InChI: InChI=1S/C11H12F2N2O4/c1-2-19-7(16)5-4-3-10(12,13)11(6(4)5)8(17)14-9(18)15-11/h4-6H,2-3H2,1H3,(H2,14,15,17,18)/t4-,5-,6-,11-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P+](=O)[O-])OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H33O18P/c1-9-17(19(36-12(4)27)22(39-15(7)30)24(34-9)42-43(31)32)41-23-21(38-14(6)29)20(37-13(5)28)18(35-11(3)26)16(40-23)8-33-10(2)25/h9,16-24H,8H2,1-7H3/t9-,16-,17-,18+,19+,20+,21-,22+,23+,24-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)CC#N
InChI: InChI=1S/C18H17N3O3/c19-10-9-12-5-7-13(8-6-12)20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-2,5-8,14-15H,3-4,9,11H2,(H,20,22)/t14-,15+
SMILES: CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl
InChI: InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1
SMILES: CC1CCC(CC1)NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H28N2O3/c1-11-7-9-13(10-8-11)19-16(21)12(2)20-17(22)14-5-3-4-6-15(14)18(20)23/h11-15H,3-10H2,1-2H3,(H,19,21)/t11?,12-,13?,14-,15-/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C14H11NO3/c16-13-11-9-6-7-10(18-9)12(11)14(17)15(13)8-4-2-1-3-5-8/h1-7,9-12H/t9-,10+,11-,12+
SMILES: C1C[C@]2([C@@H]3[C@@]4(CCO4)[C@@H]5[C@]6([C@H]2O[C@H](O3)O5)CO6)OC1
InChI: InChI=1S/C13H16O6/c1-2-11(14-4-1)7-12(3-5-15-12)9-13(6-16-13)8(11)18-10(17-7)19-9/h7-10H,1-6H2/t7-,8+,9-,10+,11-,12+,13-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC(=O)[C@H]2C4=CC[C@H](O[C@H]4O)C(=C)C5=CC(=O)C(O5)(C)C)(C[C@H](C(=O)C3(C)C)OC(=O)CC(C)(CC(=O)O)O)C
InChI: InChI=1S/C36H48O11/c1-18(22-14-26(38)33(4,5)47-22)21-10-9-19(31(43)46-21)29-20(37)13-25-35(29,7)12-11-24-32(2,3)30(42)23(15-36(24,25)8)45-28(41)17-34(6,44)16-27(39)40/h9,14,21,23-25,29,31,43-44H,1,10-13,15-17H2,2-8H3,(H,39,40)/t21-,23+,24-,25-,29+,31+,34?,35+,36-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)N/N=C\C4=CC=CC=C4)C
InChI: InChI=1S/C19H24N2O6/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(22)21-20-10-11-8-6-5-7-9-11/h5-10,12-15,17H,1-4H3,(H,21,22)/b20-10-/t12-,13-,14+,15+,17-/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)O
InChI: InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19-,21+,22+,23+/m1/s1
SMILES: C1=CC(=CC=C1N)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4Cl
InChI: InChI=1S/C20H18ClN5O3/c1-2-12-7-9-13(10-8-12)26-19(28)17-18(20(26)29)25(24-23-17)11-16(27)22-15-6-4-3-5-14(15)21/h3-10,17-18H,2,11H2,1H3,(H,22,27)/t17-,18-/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)SC)OCC3=CC=C(C=C3)OC)OC(O2)(C)C
InChI: InChI=1S/C18H26O5S/c1-11-14-15(23-18(2,3)22-14)16(17(21-11)24-5)20-10-12-6-8-13(19-4)9-7-12/h6-9,11,14-17H,10H2,1-5H3/t11-,14+,15+,16-,17+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2[C@H](C1)C(=O)C[C@@H]3[C@H]2C=CC3(OC)OC
InChI: InChI=1S/C20H34O4Si/c1-19(2,3)25(6,7)24-13-10-15-14-8-9-20(22-4,23-5)17(14)12-18(21)16(15)11-13/h8-9,13-17H,10-12H2,1-7H3/t13-,14-,15+,16-,17+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC4=C3C=CC=N4
InChI: InChI=1S/C20H21N3O3/c24-18(22-17-9-3-8-16-15(17)7-4-11-21-16)10-12-23-19(25)13-5-1-2-6-14(13)20(23)26/h3-4,7-9,11,13-14H,1-2,5-6,10,12H2,(H,22,24)/t13-,14+
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@H]3[C@@H](C2=O)[C@@]4(C5=CC=CC=C5NC4=O)N[C@@H]3C(C)C
InChI: InChI=1S/C24H25N3O3/c1-12(2)19-17-18(24(26-19)15-10-5-6-11-16(15)25-23(24)30)22(29)27(21(17)28)20-13(3)8-7-9-14(20)4/h5-12,17-19,26H,1-4H3,(H,25,30)/t17-,18-,19+,24+/m0/s1
SMILES: CC1(CC2=C([C@@H]([C@@](C(=N2)SCC(=O)O)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI: InChI=1S/C23H24N2O3S/c1-4-10-23(14-24)20(15-8-6-5-7-9-15)19-16(11-22(2,3)12-17(19)26)25-21(23)29-13-18(27)28/h4-9,20H,1,10-13H2,2-3H3,(H,27,28)/t20-,23+/m0/s1
SMILES: CC1([C@H]2[C@@H]1[C@@H]([C@H](C[C@H]2O[Si](C)(C)C(C)(C)C)C=C)COC(=O)C(C)(C)C)C
InChI: InChI=1S/C23H42O3Si/c1-12-15-13-17(26-27(10,11)22(5,6)7)19-18(23(19,8)9)16(15)14-25-20(24)21(2,3)4/h12,15-19H,1,13-14H2,2-11H3/t15-,16+,17+,18-,19+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)F)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C61H63FO10/c62-60-58(68-41-50-32-18-6-19-33-50)56(66-39-48-28-14-4-15-29-48)55(65-38-47-26-12-3-13-27-47)53(71-60)44-70-61-59(69-42-51-34-20-7-21-35-51)57(67-40-49-30-16-5-17-31-49)54(64-37-46-24-10-2-11-25-46)52(72-61)43-63-36-45-22-8-1-9-23-45/h1-35,52-61H,36-44H2/t52-,53-,54+,55+,56+,57+,58-,59-,60-,61+/m1/s1
SMILES: CC1=C(C[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C)C
InChI: InChI=1S/C17H18ClNO2/c1-9-7-13-14(8-10(9)2)17(21)19(16(13)20)15-5-4-12(18)6-11(15)3/h4-6,13-14H,7-8H2,1-3H3/t13-,14-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C(OC2=CC(=C3C(=C12)N(C4=C(C3=O)C5=CC=CC=C5C=C4)C)OC)(C)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C33H29NO7/c1-18(35)39-30-27-24(41-33(2,3)31(30)40-32(37)20-12-7-6-8-13-20)17-23(38-5)26-28(27)34(4)22-16-15-19-11-9-10-14-21(19)25(22)29(26)36/h6-17,30-31H,1-5H3/t30-,31-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N
InChI: InChI=1S/C17H23N3O5/c1-10-4-3-5-15(11(10)2)19-16(21)9-25-17(22)13-7-6-12(20(23)24)8-14(13)18/h6-8,10-11,15H,3-5,9,18H2,1-2H3,(H,19,21)/t10-,11+,15-/m0/s1
SMILES: CC(=CCC[C@]1([C@@H](O1)CC[C@@](C)([C@@H](CC[C@@H]([C@]2(CC[C@@H](O2)[C@](C)(CCC=C(C)C)OCOC)C)O)O[Si](C)(C)C(C)(C)C)O)C)C
InChI: InChI=1S/C38H72O7Si/c1-28(2)17-15-23-37(10,42-27-41-12)32-22-26-36(9,43-32)30(39)19-20-31(45-46(13,14)34(5,6)7)35(8,40)25-21-33-38(11,44-33)24-16-18-29(3)4/h17-18,30-33,39-40H,15-16,19-27H2,1-14H3/t30-,31+,32+,33-,35-,36+,37-,38-/m0/s1
SMILES: COC1=C(C=C(C=C1)C2=NO[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC7=C(C=C6)OCO7)OC
InChI: InChI=1S/C25H22N2O7/c1-30-15-5-3-11(7-17(15)31-2)22-21-13-9-14(23(21)34-26-22)20-19(13)24(28)27(25(20)29)12-4-6-16-18(8-12)33-10-32-16/h3-8,13-14,19-21,23H,9-10H2,1-2H3/t13-,14+,19+,20-,21+,23+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](C(=O)[C@H](C(=O)OC([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]2(C)OC)C)C)O)(C)O)C3CCCC3)C)C)O)N(C)C
InChI: InChI=1S/C33H57NO10/c1-17-16-32(6,41-10)28(44-31-26(37)23(34(8)9)15-18(2)42-31)20(4)25(36)21(5)30(39)43-29(22-13-11-12-14-22)33(7,40)27(38)19(3)24(17)35/h17-23,26-29,31,37-38,40H,11-16H2,1-10H3/t17-,18-,19+,20+,21-,23+,26-,27-,28-,29?,31?,32+,33+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H22ClN3O7S/c1-4-36-26(33)19-13(2)14(3)38-25(19)28-23(31)20-21(15-5-9-18(10-6-15)30(34)35)29(37-22(20)24(28)32)17-11-7-16(27)8-12-17/h5-12,20-22H,4H2,1-3H3/t20-,21+,22+/m0/s1
SMILES: CCN(CC)CCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C
InChI: InChI=1S/C28H48N4O2/c1-6-32(7-2)20-15-13-11-9-8-10-12-14-19-29-27(33)34-23-16-17-25-24(22-23)28(3)18-21-30(4)26(28)31(25)5/h16-17,22,26H,6-15,18-21H2,1-5H3,(H,29,33)/t26-,28+/m1/s1
SMILES: CC1=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)OC)NC5=O
InChI: InChI=1S/C24H22N4O6/c1-12-5-6-13(28(32)33)10-18(12)27-21(29)19-17-4-3-9-26(17)24(20(19)22(27)30)15-11-14(34-2)7-8-16(15)25-23(24)31/h5-8,10-11,17,19-20H,3-4,9H2,1-2H3,(H,25,31)/t17-,19+,20+,24-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C18H22N2O3/c21-18(10-9-15-6-3-4-8-17(15)20(22)23)19-12-11-14-5-1-2-7-16(14)13-19/h3-4,6,8-10,14,16H,1-2,5,7,11-13H2/b10-9+/t14-,16-/m1/s1
SMILES: CC(=O)OCCC(C)(C)C(=O)O[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@H]1SC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H38O8S/c1-23(35)37-20-19-34(2,3)33(36)42-30-29(38-21-24-13-7-4-8-14-24)28-27(40-32(30)43-26-17-11-6-12-18-26)22-39-31(41-28)25-15-9-5-10-16-25/h4-18,27-32H,19-22H2,1-3H3/t27-,28-,29+,30-,31?,32+/m1/s1
SMILES: CC1=C(C=CC(=C1)[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)C)C(=O)N(C4=O)C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C34H29ClN2O5/c1-18-16-19(8-15-27(18)38)29-23-13-14-24-28(32(41)36(30(24)39)22-11-9-20(35)10-12-22)25(23)17-26-31(40)37(33(42)34(26,29)2)21-6-4-3-5-7-21/h3-13,15-16,24-26,28-29,38H,14,17H2,1-2H3/t24-,25+,26-,28-,29-,34+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)CBr)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H21BrN2O6/c1-15-14-26(24(31)27(21(15)28)22(29)16-8-4-2-5-9-16)20-12-18(19(13-25)32-20)33-23(30)17-10-6-3-7-11-17/h2-11,14,18-20H,12-13H2,1H3/t18-,19+,20+/m0/s1
SMILES: CC1(O[C@H]2[C@H](OC([C@@H]([C@H]2O1)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=C(C=C5)OC)CO)C
InChI: InChI=1S/C25H27NO8/c1-25(2)33-20-18(12-27)32-24(31-13-14-8-10-15(30-3)11-9-14)19(21(20)34-25)26-22(28)16-6-4-5-7-17(16)23(26)29/h4-11,18-21,24,27H,12-13H2,1-3H3/t18-,19-,20+,21-,24?/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@H]([C@H]2CC(=O)N3CCCC3)O)(C)CO)OC(=O)NC4=CC(=CC=C4)OC
InChI: InChI=1S/C27H40N2O6/c1-26-12-11-23(35-25(33)28-18-7-6-8-19(15-18)34-3)27(2,17-30)22(26)10-9-21(31)20(26)16-24(32)29-13-4-5-14-29/h6-8,15,20-23,30-31H,4-5,9-14,16-17H2,1-3H3,(H,28,33)/t20-,21-,22-,23-,26+,27+/m1/s1