EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)O[C@H]6C(=O)OCC6(C)C)OC(O4)(C7=CC=CC=C7)C8=CC=CC=C8)O
InChI: InChI=1S/C44H47N3O13/c1-25(49)32(38(51)45-19-20-48)46-41(54)43-22-30-33-34(59-44(58-33,28-13-6-4-7-14-28)29-15-8-5-9-16-29)36(43)60-47(35(43)39(52)56-30)23-27-12-10-11-26(21-27)17-18-31(50)57-37-40(53)55-24-42(37,2)3/h4-18,21,25,30,32-37,48-49H,19-20,22-24H2,1-3H3,(H,45,51)(H,46,54)/t25-,30+,32+,33-,34-,35-,36+,37-,43-/m0/s1
SMILES: CCN1C=C(C(=N1)C(=O)N2[C@H]([C@H]3CCC/C(=C\C4=CC=C(C=C4)OC)/C3=N2)C5=CC=C(C=C5)OC)[N+](=O)[O-]
InChI: InChI=1S/C28H29N5O5/c1-4-31-17-24(33(35)36)26(29-31)28(34)32-27(19-10-14-22(38-3)15-11-19)23-7-5-6-20(25(23)30-32)16-18-8-12-21(37-2)13-9-18/h8-17,23,27H,4-7H2,1-3H3/b20-16+/t23-,27-/m0/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=C3C=CC(=C4)O)CCCCCN(C)CCCCCCC(C(C(F)(F)F)(F)F)(F)F)F)C)O
InChI: InChI=1S/C34H49F8NO2/c1-30-21-27(35)29-25-13-12-24(44)20-23(25)19-22(28(29)26(30)14-16-31(30,2)45)11-7-6-10-18-43(3)17-9-5-4-8-15-32(36,37)33(38,39)34(40,41)42/h12-13,20,22,26-29,44-45H,4-11,14-19,21H2,1-3H3/t22-,26+,27+,28+,29+,30+,31+/m1/s1
SMILES: CCCCCC[C@H]1[C@@H](N1C(=O)OC(C)(C)C)C(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C21H32N2O3/c1-5-6-7-11-14-17-18(23(17)20(25)26-21(2,3)4)19(24)22-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,5-7,11,14-15H2,1-4H3,(H,22,24)/t17-,18+,23?/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H24F3N3O3/c1-3-28(4-2)16-12-10-14(11-13-16)18-17(19(29)15-8-6-5-7-9-15)21(31,22(23,24)25)27-20(30)26-18/h5-13,17-18,31H,3-4H2,1-2H3,(H2,26,27,30)/t17-,18+,21+/m1/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC=CC=C4OC)C#N
InChI: InChI=1S/C17H16N4O3/c1-10-7-23-17(24-10)16(9-19)13(15(16,8-18)14(20)21-17)11-5-3-4-6-12(11)22-2/h3-6,10,13H,7H2,1-2H3,(H2,20,21)/p+1/t10-,13-,15-,16-,17-/m1/s1
SMILES: C1CC2=C(C1)C=C(C=C2)COC(=O)[C@@]3(CC[C@@H]4[C@H]3[C@H]4C(=O)O)N.Cl
InChI: InChI=1S/C18H21NO4.ClH/c19-18(7-6-13-14(15(13)18)16(20)21)17(22)23-9-10-4-5-11-2-1-3-12(11)8-10;/h4-5,8,13-15H,1-3,6-7,9,19H2,(H,20,21);1H/t13-,14-,15-,18-;/m0./s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3C(=O)C5=C(C4=O)C=CC=C5O)C
InChI: InChI=1S/C31H36O3/c1-17(2)18(3)9-10-19(4)24-13-14-25-20-11-12-23-27(21(20)15-16-31(24,25)5)30(34)28-22(29(23)33)7-6-8-26(28)32/h6-12,17-19,24-25,32H,13-16H2,1-5H3/b10-9+/t18-,19+,24+,25-,31+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)N(C2=O)C(=O)C3=CC=CC=C3)I)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C42H35IN2O6/c43-35-27-44(41(48)45(40(35)47)39(46)31-18-8-2-9-19-31)38-26-36(49-28-30-16-6-1-7-17-30)37(51-38)29-50-42(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,27,36-38H,26,28-29H2/t36-,37+,38+/m0/s1
SMILES: CC1=CC2=C(C(=C1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)C5CCCCC5
InChI: InChI=1S/C23H26ClN3O5/c1-11-9-13-19(14(24)10-11)25-22(32)23(13)18-17(15(26-23)7-8-16(28)29)20(30)27(21(18)31)12-5-3-2-4-6-12/h9-10,12,15,17-18,26H,2-8H2,1H3,(H,25,32)(H,28,29)/t15-,17+,18-,23+/m0/s1
SMILES: CCOC(=O)C1=C(NC(=C1C)C2=CSC3=N[C@@H]4CCCC[C@@H]4N23)C
InChI: InChI=1S/C18H23N3O2S/c1-4-23-17(22)15-10(2)16(19-11(15)3)14-9-24-18-20-12-7-5-6-8-13(12)21(14)18/h9,12-13,19H,4-8H2,1-3H3/t12-,13+/m1/s1
SMILES: C[C@H]1[C@@H]2CC3=C([C@]1(CCN2CC=C(C)C)C)C=C(C=C3)O
InChI: InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@]1(CN([C@@]2(C3)C#N)[N+](=O)[O-])C
InChI: InChI=1S/C11H15N3O2/c1-9-7-13(14(15)16)11(6-12)5-8(9)3-4-10(9,11)2/h8H,3-5,7H2,1-2H3/t8-,9+,10-,11+/m1/s1
SMILES: CN1[C@@H]2C[C@@H]([C@@H]([C@H]1[C@@H](C2)OC)C(=O)OC)O
InChI: InChI=1S/C11H19NO4/c1-12-6-4-7(13)9(11(14)16-3)10(12)8(5-6)15-2/h6-10,13H,4-5H2,1-3H3/t6-,7+,8-,9+,10-/m1/s1
SMILES: C[C@@H]1C(=O)O[C@@H]2CC[C@@]3(C(=O)O[C@@H]4[C@]35[C@]2([C@@]1(C[C@@](O4)(O5)C6=COC=C6)O)C)C
InChI: InChI=1S/C20H22O8/c1-10-13(21)25-12-4-6-16(2)14(22)26-15-20(16)17(12,3)18(10,23)9-19(27-15,28-20)11-5-7-24-8-11/h5,7-8,10,12,15,23H,4,6,9H2,1-3H3/t10-,12-,15+,16-,17-,18+,19-,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@@H](C[C@@H]1CC/C=C\COCC2=CC=CC=C2)OCOCC3=CC=CC=C3
InChI: InChI=1S/C33H50O4Si/c1-33(2,3)38(4,5)37-26-31-20-21-32(36-27-35-25-29-17-11-7-12-18-29)23-30(31)19-13-8-14-22-34-24-28-15-9-6-10-16-28/h6-12,14-18,30-32H,13,19-27H2,1-5H3/b14-8-/t30-,31+,32-/m0/s1
SMILES: COC1=CC=C(C=C1)CC2=CC(=CC=C2)[C@H]3[C@@H]([C@H]([C@@H](/C(=C/C#N)/O3)O)O)O
InChI: InChI=1S/C21H21NO5/c1-26-16-7-5-13(6-8-16)11-14-3-2-4-15(12-14)21-20(25)19(24)18(23)17(27-21)9-10-22/h2-9,12,18-21,23-25H,11H2,1H3/b17-9-/t18-,19+,20-,21+/m1/s1
SMILES: C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)SCCC(=O)OC)O)O
InChI: InChI=1S/C20H32O6S/c1-13-6-4-3-5-7-14-10-15(21)11-16(14)20(24)17(12-19(23)26-13)27-9-8-18(22)25-2/h5,7,13-17,20-21,24H,3-4,6,8-12H2,1-2H3/b7-5+/t13-,14+,15-,16+,17+,20-/m0/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@H]3C[C@H]2C=C3)C(=O)C4=CC=CO4
InChI: InChI=1S/C17H22N2O2/c20-17(16-2-1-9-21-16)19-7-5-18(6-8-19)12-15-11-13-3-4-14(15)10-13/h1-4,9,13-15H,5-8,10-12H2/t13-,14-,15+/m1/s1
SMILES: C[C@@H]1C[C@]([C@@H]2[C@H]1[C@]3(CCC4C([C@H]3C2=O)[C@H]([C@@H]([C@@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C)(CC(C)C)O
InChI: InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16?,17-,18?,19+,20+,21-,22-,23-,25-,26-,27+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)Cl)NC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C26H22ClF2N3O3S/c1-14(30-22(33)12-15-10-18(28)13-19(29)11-15)25(34)32-23-24(16-6-8-17(27)9-7-16)36-21-5-3-2-4-20(21)31-26(23)35/h2-11,13-14,23-24H,12H2,1H3,(H,30,33)(H,31,35)(H,32,34)/t14-,23-,24+/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(C(=O)N(CC(=O)N3[C@@H]2C4=CC=C(C=C4)OC)C5=CC(=CC(=C5)C)C)C
InChI: InChI=1S/C27H29N3O5/c1-6-28-24(32)21-22(25(28)33)27(4)26(34)29(18-12-15(2)11-16(3)13-18)14-20(31)30(27)23(21)17-7-9-19(35-5)10-8-17/h7-13,21-23H,6,14H2,1-5H3/t21-,22-,23-,27-/m1/s1
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H19N3O7/c1-11-5-4-8-14(22(27)28)17(11)20-15(23)10-29-16(24)9-21-18(25)12-6-2-3-7-13(12)19(21)26/h2-5,8,12-13H,6-7,9-10H2,1H3,(H,20,23)/t12-,13+
SMILES: CN1C(=NN=N1)C2=CC(=CC=C2)NC(=O)N[C@@H]3CCCC[C@H]3CN4C[C@@H](NC(=O)C4)CC5=CC=C(C=C5)Cl
InChI: InChI=1S/C27H33ClN8O2/c1-35-26(32-33-34-35)19-6-4-7-22(14-19)30-27(38)31-24-8-3-2-5-20(24)15-36-16-23(29-25(37)17-36)13-18-9-11-21(28)12-10-18/h4,6-7,9-12,14,20,23-24H,2-3,5,8,13,15-17H2,1H3,(H,29,37)(H2,30,31,38)/t20-,23-,24+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)[C@]4(C)CO)C)O)C)C)O
InChI: InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-16,18,20,28-29,32H,6-13H2,1-5H3,(H,33,34)/t14-,15-,16+,18-,20+,24+,25-,26-,27+/m1/s1
SMILES: CN1[C@@H]2[C@@H]([C@@H](N1)C3=CN=CC=C3)C(=O)N(C2=O)C4CCCCC4
InChI: InChI=1S/C17H22N4O2/c1-20-15-13(14(19-20)11-6-5-9-18-10-11)16(22)21(17(15)23)12-7-3-2-4-8-12/h5-6,9-10,12-15,19H,2-4,7-8H2,1H3/t13-,14+,15-/m1/s1
SMILES: C[C@@H]1C2[C@@H](OC=C(C2CC(=O)O1)C(=O)OC)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)/C=C\C4=CC=C(C=C4)O)O)O)O
InChI: InChI=1S/C26H30O13/c1-12-20-15(9-19(29)37-12)16(24(33)34-2)10-36-25(20)39-26-23(32)22(31)21(30)17(38-26)11-35-18(28)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17,20-23,25-27,30-32H,9,11H2,1-2H3/b8-5-/t12-,15?,17-,20?,21+,22+,23-,25+,26+/m1/s1
SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)OCC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-31-34(29,30)32-18-16-20-22(26)24(28)23(27)21(19-25)33-20/h20-28H,2-19H2,1H3,(H,29,30)/t20-,21-,22+,23-,24-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(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)COC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C70H104O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-39-49-66(71)74-56-63(57-75-67(72)50-40-26-24-22-20-18-16-14-12-10-8-6-4-2)51-64-68(76-53-60-43-33-28-34-44-60)70(78-55-62-47-37-30-38-48-62)69(77-54-61-45-35-29-36-46-61)65(79-64)58-73-52-59-41-31-27-32-42-59/h27-38,41-48,63-65,68-70H,3-26,39-40,49-58H2,1-2H3/t64-,65+,68-,69+,70+/m0/s1
SMILES: CC(COCOC(=O)C(C)(C)C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
InChI: InChI=1S/C36H60O6/c1-22(20-41-21-42-30(40)31(2,3)4)23-12-17-36(29(38)39)19-18-34(8)24(28(23)36)10-11-26-33(7)15-14-27(37)32(5,6)25(33)13-16-35(26,34)9/h22-28,37H,10-21H2,1-9H3,(H,38,39)/t22?,23-,24?,25?,26?,27-,28?,33-,34+,35+,36-/m0/s1
SMILES: CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C19H23N5O2S/c1-11(25)20-15-4-2-3-14(9-15)18-22-19(24-23-18)27-10-17(26)21-16-8-12-5-6-13(16)7-12/h2-4,9,12-13,16H,5-8,10H2,1H3,(H,20,25)(H,21,26)(H,22,23,24)/t12-,13-,16+/m0/s1
SMILES: C1[C@H]([C@@H](O[C@@H](C1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OP(=O)(O)O)O)CO)N3C=NC4=C(N=CN=C43)N)OP(=O)(O)O
InChI: InChI=1S/C17H28N5O18P3/c18-14-10-15(20-4-19-14)22(5-21-10)16-7(38-41(26,27)28)1-6(8(2-23)35-16)36-17-11(25)13(40-43(32,33)34)12(9(3-24)37-17)39-42(29,30)31/h4-9,11-13,16-17,23-25H,1-3H2,(H2,18,19,20)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)/t6?,7-,8-,9-,11-,12-,13-,16-,17?/m1/s1
SMILES: CCCCCCC/C=C/[C@H]1[C@H](COC(O1)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C20H37NO4/c1-7-8-9-10-11-12-13-14-17-16(15-23-20(5,6)24-17)21-18(22)25-19(2,3)4/h13-14,16-17H,7-12,15H2,1-6H3,(H,21,22)/b14-13+/t16-,17-/m0/s1
SMILES: C[C@H](CN1CCCC(C1)(C)C)[C@H]2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C29H49NO/c1-20(18-30-16-6-13-27(2,3)19-30)24-9-10-25-23-8-7-21-17-22(31)11-14-28(21,4)26(23)12-15-29(24,25)5/h7,20,22-26,31H,6,8-19H2,1-5H3/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OCC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O
InChI: InChI=1S/C15H20N2O8/c1-8(19)16-12-14(21)13(20)11(6-18)25-15(12)24-7-9-2-4-10(5-3-9)17(22)23/h2-5,11-15,18,20-21H,6-7H2,1H3,(H,16,19)/t11-,12+,13+,14+,15-/m0/s1
SMILES: CCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO
InChI: InChI=1S/C30H36N2O9/c1-3-4-5-25(35)32(14-17-6-7-22-23(11-17)40-16-39-22)21-13-20(30(37)31-8-9-33)26-19-10-18(15-34)12-24(38-2)28(19)41-29(26)27(21)36/h6-7,10-13,21,26-27,29,33-34,36H,3-5,8-9,14-16H2,1-2H3,(H,31,37)/t21-,26+,27+,29+/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@H]2[C@@]1(CCC3=C2C=CC4=C3C=CC(=C4)OC)C
InChI: InChI=1S/C21H24O3/c1-13(22)24-20-9-8-19-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h4-7,12,19-20H,8-11H2,1-3H3/t19-,20-,21+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C=CC5=CC(=C(C(=C5)OC)O)OC)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C32H29Cl2FN2O7/c1-4-36-27(39)20-11-10-19-21(25(20)28(36)40)15-31(33)29(41)37(18-8-6-17(35)7-9-18)30(42)32(31,34)22(19)12-5-16-13-23(43-2)26(38)24(14-16)44-3/h5-10,12-14,20-22,25,38H,4,11,15H2,1-3H3/t20-,21+,22-,25-,31+,32-/m0/s1
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(=O)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C35H39N3O7Si/c1-5-24-22-38(33(41)36-31(24)39)30-21-28(45-34(42)37-32(40)25-15-9-6-10-16-25)29(44-30)23-43-46(35(2,3)4,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,22,28-30H,5,21,23H2,1-4H3,(H,36,39,41)(H,37,40,42)/t28-,29+,30+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CSC=C5)CCCO
InChI: InChI=1S/C30H29ClN2O6S/c1-3-38-30-22(5-4-11-34)23(18-10-12-40-16-18)15-26(39-30)27(35)32-20-7-9-25(17(2)13-20)33-28(36)21-8-6-19(31)14-24(21)29(33)37/h6-10,12-16,22-23,30,34H,3-5,11H2,1-2H3,(H,32,35)/t22-,23+,30+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C23H27NO3/c1-16-7-6-10-21(17(16)2)24-22(25)15-27-23(26)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-5,8-9,11-14,16-17,21H,6-7,10,15H2,1-2H3,(H,24,25)/t16-,17+,21+/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@H](C2([C@@H]3N1C4=C(C=C3)C=C(C=C4)Br)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C31H25BrFNO3/c1-30(2,3)29(37)26-25(17-8-12-20(33)13-9-17)31(27(35)21-6-4-5-7-22(21)28(31)36)24-15-10-18-16-19(32)11-14-23(18)34(24)26/h4-16,24-26H,1-3H3/t24-,25-,26-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@@H](O2)C(=O)[O-])N=[N+]=[N-]
InChI: InChI=1S/C10H11N5O5/c1-4-3-15(10(19)12-8(4)16)6-2-5(13-14-11)7(20-6)9(17)18/h3,5-7H,2H2,1H3,(H,17,18)(H,12,16,19)/p-1/t5-,6-,7+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O
InChI: InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22+/m0/s1
SMILES: B1(O[C@H]2CC3CC([C@]2(O1)C)C3(C)C)CNC(=O)[C@H](CCCCNC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C
InChI: InChI=1S/C30H46BN3O7/c1-28(2,3)39-27(37)34-22(14-10-11-15-32-26(36)38-18-20-12-8-7-9-13-20)25(35)33-19-31-40-24-17-21-16-23(29(21,4)5)30(24,6)41-31/h7-9,12-13,21-24H,10-11,14-19H2,1-6H3,(H,32,36)(H,33,35)(H,34,37)/t21?,22-,23?,24-,30+/m0/s1
SMILES: CCCCCCCCCCCCC/C=C/[C@H]1[C@@H](NC(=O)O1)COS(=O)(=O)C
InChI: InChI=1S/C20H37NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-18(21-20(22)26-19)17-25-27(2,23)24/h15-16,18-19H,3-14,17H2,1-2H3,(H,21,22)/b16-15+/t18-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C19H22N6O2/c1-11-6-8-12(9-7-11)21-19-23-15(22-18(20)24-19)10-25-16(26)13-4-2-3-5-14(13)17(25)27/h6-9,13-14H,2-5,10H2,1H3,(H3,20,21,22,23,24)/t13-,14-/m0/s1
SMILES: CCCCC[C@@]1([C@H]2C(=O)OC[C@@]23[C@@H](O1)[C@@H](CO3)OC(=O)CC4=CC(=C(C(=C4I)OC)OC)OC)O
InChI: InChI=1S/C24H31IO10/c1-5-6-7-8-24(28)20-22(27)32-12-23(20)21(35-24)15(11-33-23)34-16(26)10-13-9-14(29-2)18(30-3)19(31-4)17(13)25/h9,15,20-21,28H,5-8,10-12H2,1-4H3/t15-,20+,21+,23+,24-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COP(=O)(OCC=C)OCC=C)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C45H47N5O12P2/c1-4-25-56-63(52,57-26-5-2)60-30-38-40(62-64(53,58-28-33-15-9-6-10-16-33)59-29-34-17-11-7-12-18-34)41(55-27-35-21-23-37(54-3)24-22-35)45(61-38)50-32-48-39-42(46-31-47-43(39)50)49-44(51)36-19-13-8-14-20-36/h4-24,31-32,38,40-41,45H,1-2,25-30H2,3H3,(H,46,47,49,51)/t38-,40-,41-,45-/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@H]3CCCC[C@]3(CCN2CC(=O)N)O)OC
InChI: InChI=1S/C19H28N2O4/c1-24-13-6-7-14(16(11-13)25-2)18-15-5-3-4-8-19(15,23)9-10-21(18)12-17(20)22/h6-7,11,15,18,23H,3-5,8-10,12H2,1-2H3,(H2,20,22)/t15-,18-,19-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OCCCC=C)OCC2=CC=CC=C2)O)OCC3=CC=CC=C3
InChI: InChI=1S/C34H52O6Si/c1-8-9-16-21-36-34-33(38-23-29-19-14-11-15-20-29)31(35)32(37-22-28-17-12-10-13-18-28)30(40-34)24-39-41(25(2)3,26(4)5)27(6)7/h8,10-15,17-20,25-27,30-35H,1,9,16,21-24H2,2-7H3/t30-,31+,32-,33+,34-/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3C[C@H]([C@H](C[C@H]3C2=O)Br)Br)C
InChI: InChI=1S/C16H17Br2NO2/c1-8-3-4-14(9(2)5-8)19-15(20)10-6-12(17)13(18)7-11(10)16(19)21/h3-5,10-13H,6-7H2,1-2H3/t10-,11-,12-,13+/m1/s1
SMILES: C/C=C(\C)/C(=O)N[C@H]1[C@H](C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]5[C@]2([C@H]1OC(=O)C)O5)CC[C@@H]4[C@H](C)N(C)C)C)C)O
InChI: InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35)/b16-9+/t17-,19-,20+,21-,22-,23-,24-,25-,26-,28+,29+,30+/m0/s1
SMILES: CCN1C(=C(C=N1)/C=C\2/C[C@@H]3[C@H]4CC=C5C[C@@H](CC[C@@]5([C@@H]4CC[C@@]3(C2=O)C)C)O)C
InChI: InChI=1S/C26H36N2O2/c1-5-28-16(2)18(15-27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h6,12,15,20-23,29H,5,7-11,13-14H2,1-4H3/b17-12-/t20-,21+,22-,23-,25+,26+/m1/s1
SMILES: CCOC([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC
InChI: InChI=1S/C40H48O8/c1-3-43-40(44-4-2)39(47-28-33-23-15-8-16-24-33)38-35(41)37(46-27-32-21-13-7-14-22-32)36(45-26-31-19-11-6-12-20-31)34(48-38)29-42-25-30-17-9-5-10-18-30/h5-24,34-41H,3-4,25-29H2,1-2H3/t34-,35-,36+,37-,38-,39+/m1/s1
SMILES: CC(C)(C)CC1=NN=C(S1)NC(=O)[C@@H]2C[C@H]2C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H20ClN3OS/c1-17(2,3)9-14-20-21-16(23-14)19-15(22)13-8-12(13)10-4-6-11(18)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,21,22)/t12-,13+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(=O)C
InChI: InChI=1S/C20H23N3O5/c1-12-7-3-6-10-16(12)23-19(27)18(26)22(20(23)28)11-17(25)21-15-9-5-4-8-14(15)13(2)24/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3,(H,21,25)/t12-,16+/m0/s1
SMILES: CCOC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)NC(=O)OCC)O)NC(=O)OCC)NC(=O)OCC)O)O)O
InChI: InChI=1S/C30H52N4O19/c1-5-46-27(42)31-10-14-18(37)20(39)21(40)26(50-14)53-24-13(33-29(44)48-7-3)9-12(32-28(43)47-6-2)23(22(24)41)52-25-19(38)16(34-30(45)49-8-4)17(36)15(11-35)51-25/h12-26,35-41H,5-11H2,1-4H3,(H,31,42)(H,32,43)(H,33,44)(H,34,45)/t12-,13+,14-,15-,16+,17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N
InChI: InChI=1S/C18H23N3O4S/c1-11-5-3-4-6-14(11)20-16(23)9-25-17(24)10-26-18-13(8-19)12(2)7-15(22)21-18/h7,11,14H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,22)/t11-,14-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H16FNO2/c20-13-8-9-17-16(10-13)14-2-1-3-15(14)18(21-17)11-4-6-12(7-5-11)19(22)23/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)/p-1/t14-,15+,18+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3C[C@@H](O[C@@H]3C(=C)C(=O)OC)OC
InChI: InChI=1S/C25H32O5Si/c1-18(24(26)28-6)23-21(17-22(27-5)29-23)30-31(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-23H,1,17H2,2-6H3/t21-,22+,23+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@](N(C(=O)O2)CC3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C25H23NO7/c1-29-19-8-4-17(5-9-19)23-25(28,18-6-10-20(30-2)11-7-18)26(24(27)33-23)14-16-3-12-21-22(13-16)32-15-31-21/h3-13,23,28H,14-15H2,1-2H3/t23-,25+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](C(O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C26H21BrO7/c27-23-22(34-26(30)19-14-8-3-9-15-19)21(33-25(29)18-12-6-2-7-13-18)20(16-31-23)32-24(28)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+,22-,23?/m1/s1
SMILES: CC1(CCCC2=C1C[C@@H]3[C@@H](C2)C(=O)N(C3=O)CCCN(C)C)C
InChI: InChI=1S/C19H30N2O2/c1-19(2)8-5-7-13-11-14-15(12-16(13)19)18(23)21(17(14)22)10-6-9-20(3)4/h14-15H,5-12H2,1-4H3/t14-,15-/m1/s1
SMILES: C[C@H](CCC1=CC=CC=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O3/c1-14(11-12-15-7-3-2-4-8-15)21-18(23)13-22-19(24)16-9-5-6-10-17(16)20(22)25/h2-8,14,16-17H,9-13H2,1H3,(H,21,23)/t14-,16-,17+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OCOC)O[Si](C)(C)C(C)(C)C)C)C)OCC(C(C)(C)OCOCC[Si](C)(C)C)O
InChI: InChI=1S/C40H74O7Si2/c1-28(44-25-35(41)38(5,6)46-27-43-21-22-48(10,11)12)32-17-18-33-31-16-15-29-23-30(45-26-42-9)24-36(47-49(13,14)37(2,3)4)40(29,8)34(31)19-20-39(32,33)7/h15-16,28,30,32-36,41H,17-27H2,1-14H3/t28-,30+,32+,33-,34-,35?,36-,39+,40-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@H](C1=O)[C@](N[C@H]2C3=CC=CC=C3F)(C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-3-25-19(26)16-17(20(25)27)22(21(28)29-2,13-9-5-4-6-10-13)24-18(16)14-11-7-8-12-15(14)23/h4-12,16-18,24H,3H2,1-2H3/t16-,17+,18-,22+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C#N
InChI: InChI=1S/C21H21N3O4/c1-14-4-2-3-5-19(14)23-21(25)16(13-22)12-18-10-11-20(28-18)15-6-8-17(9-7-15)24(26)27/h6-12,14,19H,2-5H2,1H3,(H,23,25)/b16-12+/t14-,19+/m0/s1
SMILES: C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C30H52O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-28H,8-18H2,1-7H3/t20-,21-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
SMILES: C1CCC(C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C14H17NO4/c16-12-11-10(13(17)18)9-5-6-14(11,19-9)7-15(12)8-3-1-2-4-8/h5-6,8-11H,1-4,7H2,(H,17,18)/p-1/t9-,10+,11-,14-/m1/s1
SMILES: CC(=O)OC[C@@]1(CCC[C@]23[C@@H]1[C@@H]([C@]([C@]45C2[C@@H](C[C@H](C4)C(=C)C5=O)O)(OC3)O)O)C
InChI: InChI=1S/C22H30O7/c1-11-13-7-14(24)15-20-6-4-5-19(3,9-28-12(2)23)16(20)18(26)22(27,29-10-20)21(15,8-13)17(11)25/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14-,15?,16-,18+,19+,20-,21+,22-/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@]45[C@@]3(C=CC(=O)[C@@H]4O5)C)C)O
InChI: InChI=1S/C23H28O7/c1-12(24)29-11-17(27)22(28)8-5-14-13-4-9-23-19(30-23)15(25)6-7-20(23,2)18(13)16(26)10-21(14,22)3/h6-7,13-14,18-19,28H,4-5,8-11H2,1-3H3/t13-,14-,18+,19-,20+,21-,22-,23-/m0/s1
SMILES: C[C@]1(CC[C@H]2[C@H](C1=O)CC[C@@H]3[C@@]2(CCCC3(C)C)C)CC=O
InChI: InChI=1S/C20H32O2/c1-18(2)9-5-10-20(4)15-8-11-19(3,12-13-21)17(22)14(15)6-7-16(18)20/h13-16H,5-12H2,1-4H3/t14-,15+,16+,19+,20-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CN=CC=C4
InChI: InChI=1S/C18H16N2O2/c21-18(22)11-6-7-16-15(9-11)13-4-1-5-14(13)17(20-16)12-3-2-8-19-10-12/h1-4,6-10,13-14,17,20H,5H2,(H,21,22)/t13-,14+,17-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C21H33N3O4S/c1-15-6-4-5-7-19(15)22-17(3)21(25)23-18-9-8-16(2)20(14-18)29(26,27)24-10-12-28-13-11-24/h8-9,14-15,17,19,22H,4-7,10-13H2,1-3H3,(H,23,25)/t15-,17+,19-/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C(F)(F)F)C(=O)O3
InChI: InChI=1S/C19H15F3O7/c20-19(21,22)18(26)28-10-3-1-8(2-4-10)12(23)7-27-16(24)14-9-5-11-13(6-9)29-17(25)15(11)14/h1-4,9,11,13-15H,5-7H2/t9-,11+,13-,14-,15+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]1C6=C(C=C(C=C6)O)OC)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C32H26ClFN4O6/c1-32-22(28(40)36(29(32)41)18-8-11-24(34)23(33)14-18)16-25-20(27(32)21-10-9-19(39)15-26(21)44-2)12-13-35-30(42)37(31(43)38(25)35)17-6-4-3-5-7-17/h3-12,14-15,22,25,27,39H,13,16H2,1-2H3/t22-,25+,27+,32+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)O2)C(=O)[O-]
InChI: InChI=1S/C16H12O4/c17-15(18)13-11-8-4-5-9-12(11)16(19)20-14(13)10-6-2-1-3-7-10/h1-9,13-14H,(H,17,18)/p-1/t13-,14-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C3=C(C(=O)N(C=N3)[C@@H]4CO[C@@H]([C@@H]4OCC=C)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC)N=C2Br)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C48H57BrN4O11Si/c1-10-25-58-40-36(26-59-37(40)27-60-48(32-17-13-11-14-18-32,33-19-15-12-16-20-33)34-21-23-35(57-7)24-22-34)52-29-50-43-39(44(52)56)51-46(49)53(43)45-42(63-31(3)55)41(62-30(2)54)38(64-45)28-61-65(8,9)47(4,5)6/h10-24,29,36-38,40-42,45H,1,25-28H2,2-9H3/t36-,37-,38-,40-,41-,42-,45-/m1/s1
SMILES: C[C@H]1CC2=C([C@@H](CC(=O)N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C18H17Cl2NO4/c1-8-5-13-16(17(23)15(8)18(24)25-2)11(7-14(22)21-13)10-4-3-9(19)6-12(10)20/h3-4,6,8,11,15H,5,7H2,1-2H3,(H,21,22)/t8-,11-,15+/m0/s1
SMILES: CN1C(=O)CC23C14C[C@H](C5=CC6=C(C=C52)OCO6)OC4([C@H]([C@H](C3)OC(=O)C7=CC=CC=C7)OC)OC
InChI: InChI=1S/C27H27NO8/c1-28-22(29)13-25-11-21(35-24(30)15-7-5-4-6-8-15)23(31-2)27(32-3)26(25,28)12-20(36-27)16-9-18-19(10-17(16)25)34-14-33-18/h4-10,20-21,23H,11-14H2,1-3H3/t20-,21+,23+,25?,26?,27?/m1/s1
SMILES: C[C@@H]1CCC(=O)[C@]1([C@H](C)CC=O)C(=O)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H20O5/c1-12-8-9-15(20)18(12,13(2)10-11-19)17(22)23-16(21)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3/t12-,13-,18+/m1/s1
SMILES: C[C@@H]1C2=C(C[C@@H]3CCCC[C@H]3C2/C=C/C4=NC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O1
InChI: InChI=1S/C27H26N2O2/c1-17-26-24(23-9-5-2-6-18(23)14-25(26)27(30)31-17)13-12-21-11-10-20(16-29-21)22-8-4-3-7-19(22)15-28/h3-4,7-8,10-13,16-18,23-24H,2,5-6,9,14H2,1H3/b13-12+/t17-,18+,23-,24?/m1/s1
SMILES: CCOC(=O)[C@H]\1[C@@H](NC(=O)N/C1=C/SC2=NN=C(S2)N)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H16N6O5S2/c1-2-27-13(23)11-10(7-28-16-21-20-14(17)29-16)18-15(24)19-12(11)8-4-3-5-9(6-8)22(25)26/h3-7,11-12H,2H2,1H3,(H2,17,20)(H2,18,19,24)/b10-7+/t11-,12+/m1/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F
InChI: InChI=1S/C10H17FN3O13P3/c1-4-2-14(10(16)13-8(4)12)9-6(11)7(15)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,15H,3H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1