EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=C(C=C3)C=C(C=C4)F)(C#N)C#N)C5=CC=CC=C5F
InChI: InChI=1S/C27H17F2N3O/c28-19-11-12-22-18(14-19)10-13-23-27(15-30,16-31)24(20-8-4-5-9-21(20)29)25(32(22)23)26(33)17-6-2-1-3-7-17/h1-14,23-25H/t23-,24-,25+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CO2
InChI: InChI=1S/C17H24N2O5/c1-11-6-3-4-7-13(11)19-15(20)10-24-17(22)12(2)18-16(21)14-8-5-9-23-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,18,21)(H,19,20)/t11-,12+,13+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=CC(=O)N(C)C)OC4(O2)CC5=CC=CC=C5C4
InChI: InChI=1S/C40H49N3O10/c1-39(2,3)52-35(47)17-15-30(24-44)42-33(45)18-19-41-37(48)29-20-31(50-38(49)26-13-10-25(11-14-26)12-16-34(46)43(4)5)36-32(21-29)51-40(53-36)22-27-8-6-7-9-28(27)23-40/h6-14,16,21,30-32,36,44H,15,17-20,22-24H2,1-5H3,(H,41,48)(H,42,45)/t30-,31+,32+,36-/m0/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC4([C@@H]5[C@@]3(CC[C@@H](C5)O)C)OCCO4)C
InChI: InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)23-9-10-24-22-18-29(31-15-16-32-29)26-17-21(30)11-13-28(26,5)25(22)12-14-27(23,24)4/h19-26,30H,6-18H2,1-5H3/t20-,21-,22+,23+,24-,25+,26-,27+,28+/m0/s1
SMILES: C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)/C=C(/C(=O)OCCC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)\Cl
InChI: InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-21-69-49(57)32-39(54)53(58)70-22-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50-,55-,56-/m1/s1
SMILES: CC1=CC=CC=C1C(C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)C)O
InChI: InChI=1S/C20H24O6/c1-11-5-3-4-6-14(11)17(22)13-7-8-16(12(2)9-13)26-20-19(24)18(23)15(21)10-25-20/h3-9,15,17-24H,10H2,1-2H3/t15-,17?,18+,19-,20+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)C7=CC=C(C=C7)C=CC8=C(C=CC(=C8)OC)OC)Cl
InChI: InChI=1S/C44H38Cl2N2O8/c1-47-41(52)43(45)23-34-31(38(44(43,46)42(47)53)32-17-15-30(22-35(32)49)56-24-26-7-5-4-6-8-26)18-19-33-37(34)40(51)48(39(33)50)28-13-10-25(11-14-28)9-12-27-21-29(54-2)16-20-36(27)55-3/h4-18,20-22,33-34,37-38,49H,19,23-24H2,1-3H3/t33-,34+,37-,38+,43+,44-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N
InChI: InChI=1S/C18H19F3N2O/c1-12-6-2-5-9-16(12)23-17(24)14(11-22)10-13-7-3-4-8-15(13)18(19,20)21/h3-4,7-8,10,12,16H,2,5-6,9H2,1H3,(H,23,24)/b14-10+/t12-,16+/m0/s1
SMILES: COC1=C(C=C2C(=C1)[C@@H](CN3[C@]24CCC(=O)C[C@]4([C@H](C3=O)OS(=O)(=O)C)C(=O)OC)SC5=CC=CC=C5)OC
InChI: InChI=1S/C27H29NO9S2/c1-34-20-12-18-19(13-21(20)35-2)27-11-10-16(29)14-26(27,25(31)36-3)23(37-39(4,32)33)24(30)28(27)15-22(18)38-17-8-6-5-7-9-17/h5-9,12-13,22-23H,10-11,14-15H2,1-4H3/t22-,23+,26+,27-/m1/s1
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CCN7C8=CC=CC=C8N=N7)NC5=O)C9=CC=CC=C9OCCO)C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C52H45N9O6/c62-31-32-66-42-21-10-7-18-37(42)47-52(38-33-34(22-23-39(38)55-50(52)65)13-11-26-60-41-20-9-8-19-40(41)56-57-60)43(48(63)58-27-29-59(30-28-58)51-53-24-12-25-54-51)45-49(64)67-46(36-16-5-2-6-17-36)44(61(45)47)35-14-3-1-4-15-35/h1-10,12,14-25,33,43-47,62H,26-32H2,(H,55,65)/t43-,44-,45-,46+,47+,52-/m1/s1
SMILES: CC[C@H]1C[C@](OO[C@H]1CC(=O)OC)(CC)/C=C(\CC)/C2C(O2)CC
InChI: InChI=1S/C19H32O5/c1-6-13-11-19(9-4,24-23-16(13)10-17(20)21-5)12-14(7-2)18-15(8-3)22-18/h12-13,15-16,18H,6-11H2,1-5H3/b14-12+/t13-,15?,16-,18?,19+/m0/s1
SMILES: COC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC6=CC7=CC=CC=C7C=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C47H53FN2O8/c1-4-25-56-47-43(50(46(53)54-2)30-31-15-18-35(48)19-16-31)29-41(49-55-3)39-27-34(13-7-9-23-51)38(14-8-10-24-52)44(45(39)47)40-28-37(21-22-42(40)58-47)57-36-20-17-32-11-5-6-12-33(32)26-36/h4-6,11-12,15-22,26-28,34,38,43-45,51-52H,1,7-10,13-14,23-25,29-30H2,2-3H3/t34-,38+,43-,44+,45+,47+/m0/s1
SMILES: CC(=O)O[C@]1(C(=O)[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C)C
InChI: InChI=1S/C22H28O7/c1-13(23)29-21(4)17(24)15-16-19(2,18(25)28-15)8-5-9-20(16,3)22(21,26)10-6-14-7-11-27-12-14/h7,11-12,15-16,26H,5-6,8-10H2,1-4H3/t15-,16-,19-,20-,21-,22-/m0/s1
SMILES: CC(=C)[C@@H]1CCC2(C1C3CCC4[C@H]([C@@H]3CC2)CCC5[C@@H]4CCC(C5)OC(=O)C)C=O
InChI: InChI=1S/C27H40O3/c1-16(2)20-10-12-27(15-28)13-11-24-23-6-4-18-14-19(30-17(3)29)5-7-21(18)22(23)8-9-25(24)26(20)27/h15,18-26H,1,4-14H2,2-3H3/t18?,19?,20-,21-,22?,23+,24-,25?,26?,27?/m0/s1
SMILES: C1CO[C@@H]2[C@H]1[C@@H]3C4=CC=CC=C4[C@H]2C5=CC=CC=[N+]35
InChI: InChI=1S/C17H16NO/c1-2-6-12-11(5-1)15-14-7-3-4-9-18(14)16(12)13-8-10-19-17(13)15/h1-7,9,13,15-17H,8,10H2/q+1/t13-,15+,16+,17-/m1/s1
SMILES: CCCCCCC1=C2C(=CC(=C1)[C@]3(C[C@H]3/C=C/C(=C/C(=O)OCC)/C)C)C(CO2)(C)C
InChI: InChI=1S/C28H40O3/c1-7-9-10-11-12-21-16-23(17-24-26(21)31-19-27(24,4)5)28(6)18-22(28)14-13-20(3)15-25(29)30-8-2/h13-17,22H,7-12,18-19H2,1-6H3/b14-13+,20-15+/t22-,28+/m1/s1
SMILES: C1CC(=O)N(C1)[C@@H]2CC[C@]3([C@H]4CC5=C6[C@]3([C@@H]2OC6=C(C=C5)O)CCN4CC7CC7)O
InChI: InChI=1S/C24H30N2O4/c27-17-6-5-15-12-18-24(29)8-7-16(26-10-1-2-19(26)28)22-23(24,20(15)21(17)30-22)9-11-25(18)13-14-3-4-14/h5-6,14,16,18,22,27,29H,1-4,7-13H2/t16-,18-,22-,23+,24-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H](C2([C@@H]3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C28H20ClNO3/c1-16(31)25-24(18-10-13-19(29)14-11-18)28(26(32)20-7-3-4-8-21(20)27(28)33)23-15-12-17-6-2-5-9-22(17)30(23)25/h2-15,23-25H,1H3/t23-,24-,25-/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)O[Si](C)(C)C(C)(C)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H50O8Si/c1-17-23(36)16-22-27(37-19(3)33)26-18(2)24(40-41(12,13)30(6,7)8)14-15-32(26,11)29(39-21(5)35)28(38-20(4)34)25(17)31(22,9)10/h22,24,26-29H,2,14-16H2,1,3-13H3/t22-,24-,26-,27+,28+,29-,32+/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H](OC[C@@]3([C@@H]([C@H]2O)Cl)O)O[C@@H]1O
InChI: InChI=1S/C9H13ClO5/c10-7-6(12)3-1-4(11)15-8-5(3)9(7,13)2-14-8/h3-8,11-13H,1-2H2/t3-,4+,5-,6+,7-,8+,9-/m1/s1
SMILES: C[C@H]1C=C([C@H]2[C@H](O2)[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H32O4SSi/c1-14-13-17(26(22,23)16-11-9-8-10-12-16)20-19(24-20)15(2)18(14)25-27(6,7)21(3,4)5/h8-15,18-20H,1-7H3/t14-,15+,18+,19+,20-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)NC(CCC(=O)O)C(=O)O)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C
InChI: InChI=1S/C28H40N2O6S/c1-26(2)20-10-12-28(26,23(17-20)29-22(25(33)34)7-8-24(31)32)18-37(35,36)30-15-13-27(14-16-30)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23,29H,7-18H2,1-2H3,(H,31,32)(H,33,34)/t20-,22?,23+,28-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]([C@H]3CCC(=O)O)(C)O)OC(=O)C=C
InChI: InChI=1S/C22H34O5/c1-4-20(25)27-15-9-11-21(2)14(13-15)5-6-16-17(21)10-12-22(3,26)18(16)7-8-19(23)24/h4,14-18,26H,1,5-13H2,2-3H3,(H,23,24)/t14-,15+,16+,17-,18-,21-,22-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C37H33ClFN3O8/c38-21-7-5-20(6-8-21)37-28(34(47)42(36(37)49)40-23-11-9-22(39)10-12-23)19-27-24(32(37)25-3-1-2-4-29(25)50-18-17-43)13-14-26-31(27)35(48)41(33(26)46)16-15-30(44)45/h1-13,26-28,31-32,40,43H,14-19H2,(H,44,45)/t26-,27+,28-,31-,32+,37+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=C[C@H](CC[C@]34C)OC(=O)C)C)[C@H]5C[C@@]5(C)[C@@H](C)C(C)C
InChI: InChI=1S/C32H50O3/c1-18(2)20(4)32(8)17-28(32)19(3)24-9-10-25-23-16-29(34)27-15-22(35-21(5)33)11-13-31(27,7)26(23)12-14-30(24,25)6/h15,18-20,22-26,28H,9-14,16-17H2,1-8H3/t19-,20-,22-,23-,24+,25-,26-,28+,30+,31+,32-/m0/s1
SMILES: CCN(CC)C(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C4=CC(=NC=C4)Cl
InChI: InChI=1S/C26H35ClN4O4S/c1-5-31(6-2)21(34)12-16-22-17(13-18-25(16,3)9-7-19(33)26(18,4)14-32)36-24(29-22)30-23(35)15-8-10-28-20(27)11-15/h8,10-11,16,18-19,32-33H,5-7,9,12-14H2,1-4H3,(H,29,30,35)/t16-,18+,19-,25+,26+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H](CC[C@H](C)COCC1=CC=CC=C1)[C@H](C)C[C@@H]2CC[C@H]([C@@H](C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H78O4Si3/c1-16-47(17-2,18-3)44-36(26-24-32(4)30-41-31-34-22-20-19-21-23-34)33(5)28-35-25-27-37(42-45(12,13)39(6,7)8)38(29-35)43-46(14,15)40(9,10)11/h19-23,32-33,35-38H,16-18,24-31H2,1-15H3/t32-,33+,35-,36-,37+,38+/m0/s1
SMILES: C1C[C@H]2[C@]3(CC4=CC=CC=C4N2C1)C(=O)NC(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H18ClN3O3/c22-14-7-9-15(10-8-14)25-19(27)21(18(26)23-20(25)28)12-13-4-1-2-5-16(13)24-11-3-6-17(21)24/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,23,26,28)/t17-,21+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@H]4O)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15-,16+,17-,18+,19-/m1/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(O5)CO)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C33H27ClN2O8/c1-43-32(42)36-28(38)22-12-11-21-23(26(22)30(36)40)15-24-29(39)35(19-9-5-8-18(34)14-19)31(41)33(24,17-6-3-2-4-7-17)27(21)25-13-10-20(16-37)44-25/h2-11,13-14,22-24,26-27,37H,12,15-16H2,1H3/t22-,23+,24-,26-,27+,33+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5-,6-,7-,8+,9+,10-,11-,12+/m1/s1
SMILES: C/C/1=C/CC/C(=C\C[C@@]2(CC[C@@]([C@H]2CC1)(C(=C)C)O)C)/C
InChI: InChI=1S/C20H32O/c1-15(2)20(21)14-13-19(5)12-11-17(4)8-6-7-16(3)9-10-18(19)20/h7,11,18,21H,1,6,8-10,12-14H2,2-5H3/b16-7-,17-11-/t18-,19+,20-/m0/s1
SMILES: C[C@@]12CCC3[C@@]4([C@H](C(C(=O)[C@@H](C4=O)C[C@]3(C1=CC(=O)O[C@H]2C5=COC=C5)O)(C)C)CC(=O)O)C
InChI: InChI=1S/C26H30O8/c1-23(2)16(9-18(27)28)25(4)15-5-7-24(3)17(26(15,32)11-14(20(23)30)21(25)31)10-19(29)34-22(24)13-6-8-33-12-13/h6,8,10,12,14-16,22,32H,5,7,9,11H2,1-4H3,(H,27,28)/t14-,15?,16-,22-,24+,25+,26-/m0/s1
SMILES: CC(=O)O[C@H]1CC2=CC(=C(C=C2[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C)C#N)O
InChI: InChI=1S/C21H23NO4/c1-11(23)26-18-9-12-8-17(24)13(10-22)7-15(12)14-5-6-21(2)16(20(14)18)3-4-19(21)25/h7-8,14,16,18,20,24H,3-6,9H2,1-2H3/t14-,16+,18+,20-,21+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](CCO4)O[P+](=O)O
InChI: InChI=1S/C26H27O7P/c1-29-22-12-8-20(9-13-22)26(19-6-4-3-5-7-19,21-10-14-23(30-2)15-11-21)32-18-25-24(16-17-31-25)33-34(27)28/h3-15,24-25H,16-18H2,1-2H3/p+1/t24-,25+/m0/s1
SMILES: CC(=O)OCC[C@H](C1=CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C26H38O5/c1-16(27)30-14-11-24(29)23-8-7-21-20-6-5-18-15-19(31-17(2)28)9-12-25(18,3)22(20)10-13-26(21,23)4/h5,8,19-22,24,29H,6-7,9-15H2,1-4H3/t19-,20+,21+,22+,24+,25-,26-/m0/s1
SMILES: CC(=C)[C@@H]1CCC(=O)[C@@]([C@@]1(C)C=C)(C(=O)OC)SC2=CC=CC=C2
InChI: InChI=1S/C20H24O3S/c1-6-19(4)16(14(2)3)12-13-17(21)20(19,18(22)23-5)24-15-10-8-7-9-11-15/h6-11,16H,1-2,12-13H2,3-5H3/t16-,19-,20-/m0/s1
SMILES: C1CCC(C1)NC2=C3C(=NC(=N2)N4C=NN=N4)N(C=N3)C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C16H21N9O4/c26-5-9-11(27)12(28)15(29-9)24-6-17-10-13(19-8-3-1-2-4-8)20-16(21-14(10)24)25-7-18-22-23-25/h6-9,11-12,15,26-28H,1-5H2,(H,19,20,21)/t9-,11-,12-,15?/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C25H29NO4/c27-23(26-17-9-11-19-10-7-8-16-22(19)26)18-30-24(28)25(29,20-12-3-1-4-13-20)21-14-5-2-6-15-21/h1-6,12-15,19,22,29H,7-11,16-18H2/t19-,22+/m1/s1
SMILES: [3H]C1[C@H]2CC[C@@]([C@]1(C3=CC=CC=C3)OCCN(C)C)(C2(C)C)C.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C20H31NO.C4H4O4/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16;5-3(6)1-2-4(7)8/h6-10,17H,11-15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t17-,19-,20+;/m1./s1/i15T;/t15?,17-,19-,20+;
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C22H22ClNO5S/c1-3-29-22(28)18-17(13-8-10-14(23)11-9-13)12(2)30-20(18)24-19(25)15-6-4-5-7-16(15)21(26)27/h4-5,8-11,15-16H,3,6-7H2,1-2H3,(H,24,25)(H,26,27)/t15-,16+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C23H17ClN2O3/c24-17-13-7-8-14-18(17)25-22(27)19-20(15-9-3-1-4-10-15)26(29-21(19)23(25)28)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20+,21-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@@H]([C@H]([C@@H]3CO[C@H]2O3)N4CCCCC4)O
InChI: InChI=1S/C18H25NO6S/c1-12-5-7-13(8-6-12)26(21,22)25-17-16(20)15(14-11-23-18(17)24-14)19-9-3-2-4-10-19/h5-8,14-18,20H,2-4,9-11H2,1H3/t14-,15-,16+,17-,18-/m0/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C47H58N2O11/c1-5-23-58-47-43(49(2)46(53)57-25-24-56-31-32-13-7-6-8-14-32)29-40(48-55-4)38-27-33(15-9-11-21-50)37(16-10-12-22-51)44(45(38)47)39-28-36(18-20-42(39)60-47)59-35-17-19-41(54-3)34(26-35)30-52/h5-8,13-14,17-20,26-28,30,33,37,43-45,50-51H,1,9-12,15-16,21-25,29,31H2,2-4H3/t33-,37+,43-,44+,45+,47+/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=C(C(=C(C=C4)OC)OC)OC
InChI: InChI=1S/C28H29N3O4/c1-27(2,3)26(32)22-21(19-11-12-20(33-4)24(35-6)23(19)34-5)28(15-29,16-30)25-18-10-8-7-9-17(18)13-14-31(22)25/h7-14,21-22,25H,1-6H3/t21-,22+,25-/m1/s1
SMILES: C[NH+]1CC[NH+](CC1)C[C@H]2[C@H](SC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2OS/c1-22-11-13-23(14-12-22)15-18-20(24)17-9-5-6-10-19(17)25-21(18)16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3/p+2/t18-,21-/m1/s1
SMILES: C1=CC2=NC(=CN2C(=C1Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI: InChI=1S/C12H12Cl2N2O4/c13-5-1-2-8-15-7(14)3-16(8)9(5)12-11(19)10(18)6(4-17)20-12/h1-3,6,10-12,17-19H,4H2/t6-,10-,11-,12+/m1/s1
SMILES: CC1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H23ClO6/c1-11-3-2-4-15(14(11)9-12-5-7-13(21)8-6-12)26-20-19(25)18(24)17(23)16(10-22)27-20/h2-8,16-20,22-25H,9-10H2,1H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=CC=C2)N(C)C
InChI: InChI=1S/C19H28N2O3/c1-13-7-5-10-17(14(13)2)20-18(22)12-24-19(23)15-8-6-9-16(11-15)21(3)4/h6,8-9,11,13-14,17H,5,7,10,12H2,1-4H3,(H,20,22)/t13-,14-,17-/m1/s1
SMILES: CC(=O)C([C@@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@H](C(O1)(C)O)C(=O)OC)NC5=CC=CC=C45)C(=O)OC
InChI: InChI=1S/C26H32N2O7/c1-13(29)20(24(30)33-3)23-17-12-28-10-9-15-14-7-5-6-8-18(14)27-22(15)19(28)11-16(17)21(25(31)34-4)26(2,32)35-23/h5-8,16-17,19-21,23,27,32H,9-12H2,1-4H3/t16-,17+,19+,20?,21-,23-,26?/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CC2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C20H28N2O4/c1-13-6-4-5-7-18(13)22-20(25)14(2)26-19(24)12-16-8-10-17(11-9-16)21-15(3)23/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,21,23)(H,22,25)/t13-,14+,18+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI: InChI=1S/C23H26N2O2/c1-16-4-3-5-22(17(16)2)25-23(26)15-27-21-12-10-20(11-13-21)19-8-6-18(14-24)7-9-19/h6-13,16-17,22H,3-5,15H2,1-2H3,(H,25,26)/t16-,17-,22-/m1/s1
SMILES: COCC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C28H33FN2O8/c1-37-15-23(34)31(8-6-16-4-3-5-18(29)10-16)21-13-20(28(36)30-7-9-32)24-19-11-17(14-33)12-22(38-2)26(19)39-27(24)25(21)35/h3-5,10-13,21,24-25,27,32-33,35H,6-9,14-15H2,1-2H3,(H,30,36)/t21-,24+,25+,27+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@H]1[C@@H]([C@@H](O[C@H]1C2=CC(=C(C=C2)OC)OC)O)OCOC
InChI: InChI=1S/C20H30O8/c1-20(2,3)19(22)26-10-13-16(28-18(21)17(13)27-11-23-4)12-7-8-14(24-5)15(9-12)25-6/h7-9,13,16-18,21H,10-11H2,1-6H3/t13-,16+,17+,18-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@H](C3=CC=CO3)N=CC4=CC=CC=C4)OC)C
InChI: InChI=1S/C20H23NO5/c1-20(2)25-17-16(24-19(22-3)18(17)26-20)15(14-10-7-11-23-14)21-12-13-8-5-4-6-9-13/h4-12,15-19H,1-3H3/t15-,16+,17-,18-,19-/m0/s1
SMILES: C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)O
InChI: InChI=1S/C31H40O16/c1-10(2)5-16(33)47-22-24-30-9-43-31(24,28(41)42)25(39)21(38)23(30)29(4)7-13(17(34)11(3)12(29)6-15(30)46-26(22)40)44-27-20(37)19(36)18(35)14(8-32)45-27/h5,7,11-12,14-15,18-25,27,32,35-39H,6,8-9H2,1-4H3,(H,41,42)/t11-,12-,14+,15+,18+,19-,20+,21+,22+,23+,24+,25-,27+,29-,30+,31-/m0/s1
SMILES: CC(=O)OC[C@]1([C@@H](CC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)OC(=O)C5=CC=C(C=C5)F)C)OC(=O)C6=CC=C(C=C6)F)C
InChI: InChI=1S/C36H40F2O6/c1-21-18-36-19-25(21)9-14-28(36)34(3)16-15-30(43-32(40)23-5-10-26(37)11-6-23)35(4,20-42-22(2)39)29(34)17-31(36)44-33(41)24-7-12-27(38)13-8-24/h5-8,10-13,25,28-31H,1,9,14-20H2,2-4H3/t25-,28+,29+,30-,31+,34+,35-,36+/m1/s1
SMILES: CC(=C)C(C)(C)C(=O)[C@@H]([C@@H](C[C@@H]1C[C@H]([C@@H]([C@H](O1)CBr)OC(=O)C2=CC=CC=C2)OC)O)OCC3=CC=CC=C3
InChI: InChI=1S/C31H39BrO7/c1-20(2)31(3,4)29(34)27(37-19-21-12-8-6-9-13-21)24(33)16-23-17-25(36-5)28(26(18-32)38-23)39-30(35)22-14-10-7-11-15-22/h6-15,23-28,33H,1,16-19H2,2-5H3/t23-,24-,25-,26-,27-,28+/m1/s1
SMILES: CCOC(=O)C1=CC=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
InChI: InChI=1S/C21H19ClN2O4/c1-2-28-21(25)16-8-4-7-14-13-5-3-6-15(13)20(23-19(14)16)17-11-12(24(26)27)9-10-18(17)22/h3-5,7-11,13,15,20,23H,2,6H2,1H3/t13-,15-,20+/m1/s1
SMILES: C[C@@H](C(=O)OC(C)(C)C)NP(=O)(OC1C([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3N(C)NS(=O)(=O)C)N)(C)O)O)OC4=CC=CC=C4
InChI: InChI=1S/C25H37N8O10PS/c1-14(20(35)41-24(2,3)4)30-44(37,42-15-11-9-8-10-12-15)43-21-17(34)25(5,36)22(40-21)33-13-27-16-18(28-23(26)29-19(16)33)32(6)31-45(7,38)39/h8-14,17,21-22,31,34,36H,1-7H3,(H,30,37)(H2,26,28,29)/t14-,17?,21?,22+,25+,44?/m0/s1
SMILES: C1C[C@@H](N(C1)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=C(C=C6)I)OC(O5)(C7CC7)C8CC8)C(=O)NCCO
InChI: InChI=1S/C30H36IN3O8/c31-19-9-3-16(4-10-19)15-34-24-27(37)39-21-14-29(24,28(38)33-12-1-2-20(33)26(36)32-11-13-35)25(42-34)23-22(21)40-30(41-23,17-5-6-17)18-7-8-18/h3-4,9-10,17-18,20-25,35H,1-2,5-8,11-15H2,(H,32,36)/t20-,21-,22+,23+,24+,25-,29+/m1/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@]2([C@@]3(CC[C@@]4([C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)C=CC6)C)C)O2)O)C)CO
InChI: InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCCC(=O)O)O
InChI: InChI=1S/C38H33Cl2F3N4O9/c1-55-20-13-26(48)30(27(14-20)56-2)31-21-9-10-22-29(35(53)46(33(22)51)11-3-4-28(49)50)23(21)15-24-34(52)47(36(54)37(24,31)17-5-7-19(39)8-6-17)45-32-25(40)12-18(16-44-32)38(41,42)43/h5-9,12-14,16,22-24,29,31,48H,3-4,10-11,15H2,1-2H3,(H,44,45)(H,49,50)/t22-,23+,24-,29-,31+,37+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=NC=CN7C
InChI: InChI=1S/C34H42N4O4S/c1-21-29(20-43-33-35-10-11-38(33)2)41-31(42-30(21)26-8-6-22(19-39)7-9-26)27-4-3-5-28(15-27)36-32(40)37-34-16-23-12-24(17-34)14-25(13-23)18-34/h3-11,15,21,23-25,29-31,39H,12-14,16-20H2,1-2H3,(H2,36,37,40)/t21-,23?,24?,25?,29+,30+,31+,34?/m0/s1
SMILES: C1C2=C(C=CC=C2NC(=O)CCCCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)C(=O)N1
InChI: InChI=1S/C24H28N8O6/c25-21-18-22(29-10-28-21)32(11-30-18)24-20(36)19(35)15(38-24)9-26-16(33)6-1-2-7-17(34)31-14-5-3-4-12-13(14)8-27-23(12)37/h3-5,10-11,15,19-20,24,35-36H,1-2,6-9H2,(H,26,33)(H,27,37)(H,31,34)(H2,25,28,29)/t15-,19-,20-,24-/m1/s1
SMILES: CCCCN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
InChI: InChI=1S/C15H22N5O6P/c1-3-4-5-19(2)13-10-14(17-7-16-13)20(8-18-10)15-11(21)12-9(25-15)6-24-27(22,23)26-12/h7-9,11-12,15,21H,3-6H2,1-2H3,(H,22,23)/t9-,11-,12-,15-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C)[N+](=O)[O-]
InChI: InChI=1S/C18H26N2O4/c1-11-8-9-17(16(10-11)20(22)23)24-14(4)18(21)19-15-7-5-6-12(2)13(15)3/h8-10,12-15H,5-7H2,1-4H3,(H,19,21)/t12-,13-,14+,15+/m0/s1
SMILES: COC[C@@H]1[C@H]2CCN([C@H]2C3=CC=CC=C3N1)C(=O)[C@H]4CCCC[C@H]4NC(=O)C5=CC=C(C=C5)C6=NC=CN6
InChI: InChI=1S/C30H35N5O3/c1-38-18-26-22-14-17-35(27(22)21-6-2-4-8-24(21)33-26)30(37)23-7-3-5-9-25(23)34-29(36)20-12-10-19(11-13-20)28-31-15-16-32-28/h2,4,6,8,10-13,15-16,22-23,25-27,33H,3,5,7,9,14,17-18H2,1H3,(H,31,32)(H,34,36)/t22-,23+,25-,26-,27+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@H]1S(=O)C4=CC=CC=C4)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C33H42O7SSi/c1-33(2,3)42(5,6)40-30-29(36-21-23-17-19-25(35-4)20-18-23)28-27(22-37-31(39-28)24-13-9-7-10-14-24)38-32(30)41(34)26-15-11-8-12-16-26/h7-20,27-32H,21-22H2,1-6H3/t27-,28-,29+,30+,31-,32-,41?/m1/s1
SMILES: CC(=O)OCC(C(=C)C(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]([C@@H]2[C@H]([C@@H]1C(=C)C(=O)OC)O)CO)O)C)O
InChI: InChI=1S/C23H34O10/c1-11(15(26)10-32-13(3)25)22(30)33-16-8-23(4)17(27)7-6-14(9-24)19(23)20(28)18(16)12(2)21(29)31-5/h14-20,24,26-28H,1-2,6-10H2,3-5H3/t14-,15?,16+,17-,18-,19-,20+,23+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]([C@H]2C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C24H25NO3/c26-23(21-18-11-12-19(15-18)22(21)24(27)28)25-14-13-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,18-22H,13-15H2,(H,25,26)(H,27,28)/t18-,19+,21-,22-/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2OC(=O)C3=CC=C(C=C3)O
InChI: InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14-,17+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC=CC=C6)O)C)C)O
InChI: InChI=1S/C43H49NO5/c1-4-49-41(47)44(28-34-17-10-16-32-13-8-9-18-36(32)34)29-43(48)25-23-39-37-22-20-31(27-38(37)40(46)33-14-6-5-7-15-33)26-35(45)21-19-30(2)12-11-24-42(39,43)3/h5-10,12-18,20,22,27,35,39,45,48H,4,11,19,21,23-26,28-29H2,1-3H3/t35-,39-,42-,43+/m0/s1
SMILES: C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NC2=C(C(=CC=C2)F)C
InChI: InChI=1S/C17H24FN3O2/c1-11-13(18)7-6-9-14(11)20-16(22)10-5-3-4-8-15-12(2)19-17(23)21-15/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,20,22)(H2,19,21,23)/t12-,15+/m0/s1
SMILES: C/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/[C@H]2CN([C@@H]([C@H]2CC(=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C20H24N2O8/c1-12(8-13-6-5-7-14(9-13)22(26)27)16-11-21(20(25)30-4)18(19(24)29-3)15(16)10-17(23)28-2/h5-9,15-16,18H,10-11H2,1-4H3/b12-8+/t15-,16+,18-/m0/s1
SMILES: CSC1=CC=C(C=C1)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H21NO4S/c1-25-14-8-6-13(7-9-14)12-24-17(21)10-11-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-3,6-9,15-16H,4-5,10-12H2,1H3/t15-,16-/m0/s1
SMILES: C[C@]12CC[C@H](C=C1CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
InChI: InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,11,13,16-20,25-26,28H,4-5,7-10,12H2,1-2H3/t16-,17-,18-,19+,20+,22+,23+,24+/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)NC(=O)CCCCCNC(=O)C)CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C35H46N4O5/c1-25-32(23-39(3)21-18-30-11-6-8-20-37-30)43-35(44-34(25)28-16-14-27(24-40)15-17-28)29-10-9-12-31(22-29)38-33(42)13-5-4-7-19-36-26(2)41/h6,8-12,14-17,20,22,25,32,34-35,40H,4-5,7,13,18-19,21,23-24H2,1-3H3,(H,36,41)(H,38,42)/t25-,32+,34+,35+/m0/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@]2(CCC(=C(F)F)F)O)N(N=C3)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H22F4N2O/c1-21-12-14-13-27-28(17-6-4-16(23)5-7-17)19(14)11-15(21)3-2-9-22(21,29)10-8-18(24)20(25)26/h4-7,11,13,29H,2-3,8-10,12H2,1H3/t21-,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OC(C2=CC=CC=C2)O[Si](C)(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H34O11Si/c1-14(25)29-13-19-20(30-15(2)26)21(31-16(3)27)22(24(33-19)32-17(4)28)34-23(35-36(5,6)7)18-11-9-8-10-12-18/h8-12,19-24H,13H2,1-7H3/t19-,20-,21+,22+,23?,24-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C36H25Cl4NO10/c1-47-36-30(51-35(46)20-15-9-4-10-16-20)29(50-34(45)19-13-7-3-8-14-19)28(49-33(44)18-11-5-2-6-12-18)21(48-36)17-41-31(42)22-23(32(41)43)25(38)27(40)26(39)24(22)37/h2-16,21,28-30,36H,17H2,1H3/t21-,28-,29+,30-,36+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C(/C)\C2=CC=CC=C2)/[C@@H](C3=CC=CO3)O)C(C)C
InChI: InChI=1S/C25H32O4/c1-16(2)20-13-12-17(3)15-22(20)29-25(27)23(24(26)21-11-8-14-28-21)18(4)19-9-6-5-7-10-19/h5-11,14,16-17,20,22,24,26H,12-13,15H2,1-4H3/b23-18-/t17-,20+,22-,24-/m1/s1