EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C4=CC=CC=C4)(COC(=O)C)O)O)O)C)O)O
InChI: InChI=1S/C29H40O11/c1-14-17(31)12-28(26(3,4)37)20(14)21(34)23(35)27(5)18(32)11-19(33)29(38,13-39-15(2)30)22(27)24(28)40-25(36)16-9-7-6-8-10-16/h6-10,17-19,21-24,31-35,37-38H,11-13H2,1-5H3/t17-,18-,19-,21+,22-,23-,24-,27+,28-,29-/m0/s1
SMILES: C/C/1=C\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)O)C(=C)C(=O)O2)/CO
InChI: InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@@H]4C[C@H]([C@@H]3C(=O)OC)C(=CN4CC5=CC=CC=C5)/C=C/C(=O)OC
InChI: InChI=1S/C28H28N2O4/c1-29-22-12-8-7-11-20(22)25-26(28(32)34-3)21-15-23(27(25)29)30(16-18-9-5-4-6-10-18)17-19(21)13-14-24(31)33-2/h4-14,17,21,23,26H,15-16H2,1-3H3/b14-13+/t21-,23-,26-/m0/s1
SMILES: COC1=CC2=C(C(=CN=C2C=C1)Cl)NC(=O)C3[C@H]4[C@@H]3CN(C4)CCC5=CC6=C(C=C5)OCCO6
InChI: InChI=1S/C26H26ClN3O4/c1-32-16-3-4-21-17(11-16)25(20(27)12-28-21)29-26(31)24-18-13-30(14-19(18)24)7-6-15-2-5-22-23(10-15)34-9-8-33-22/h2-5,10-12,18-19,24H,6-9,13-14H2,1H3,(H,28,29,31)/t18-,19+,24?
SMILES: C[C@]12CC[C@H]([C@H]1C(=O)CC[C@@H]2Br)COCC3=CC=CC=C3
InChI: InChI=1S/C18H23BrO2/c1-18-10-9-14(17(18)15(20)7-8-16(18)19)12-21-11-13-5-3-2-4-6-13/h2-6,14,16-17H,7-12H2,1H3/t14-,16-,17-,18+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(=C2)CC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C29H32N2O4S/c1-20(32)35-27-28(23-11-13-24(34-4)14-12-23)36-26-19-22(18-21-8-6-5-7-9-21)10-15-25(26)31(29(27)33)17-16-30(2)3/h5-15,19,27-28H,16-18H2,1-4H3/t27-,28+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CNC(=O)/C=C/C2=CC=CC=C2
InChI: InChI=1S/C20H28N4O2S/c1-14-7-6-10-17(15(14)2)22-20(27)24-23-19(26)13-21-18(25)12-11-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17H,6-7,10,13H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,27)/b12-11+/t14-,15-,17-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=CC=C(C=C3)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C29H42N2O9/c1-3-39-29-23(11-16-37-18-19-38-17-15-32)24(21-7-9-22(10-8-21)28(35)36-2)20-25(40-29)27(34)30-12-5-14-31-13-4-6-26(31)33/h7-10,20,23-24,29,32H,3-6,11-19H2,1-2H3,(H,30,34)/t23-,24-,29-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@](N1O)(C)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C45H51NO7/c1-6-51-42(48)39-37(31-19-11-7-12-20-31)38(41(47)53-40(32-21-13-8-14-22-32)33-23-15-9-16-24-33)45(5,46(39)50)43(49)52-36-29-30(2)27-28-35(36)44(3,4)34-25-17-10-18-26-34/h7-26,30,35-40,50H,6,27-29H2,1-5H3/t30-,35-,36-,37+,38-,39+,45+/m1/s1
SMILES: C[C@]12CCC(=O)C(C1CC[C@@]3([C@@H]2CCC4[C@]3(CC[C@@]5([C@@H]4O[C@@H](CC5)C(C)(C)O)C(=O)O)C)C)(C)C
InChI: InChI=1S/C30H48O5/c1-25(2)19-10-14-29(7)20(27(19,5)13-11-21(25)31)9-8-18-23-30(24(32)33,17-16-28(18,29)6)15-12-22(35-23)26(3,4)34/h18-20,22-23,34H,8-17H2,1-7H3,(H,32,33)/t18?,19?,20-,22+,23-,27+,28-,29-,30+/m1/s1
SMILES: C[C@@H]([C@@H]1C[C@@H]2C[C@H]1[C@H](C2)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C15H30O2Si/c1-10(16)12-7-11-8-13(12)14(9-11)17-18(5,6)15(2,3)4/h10-14,16H,7-9H2,1-6H3/t10-,11+,12-,13+,14-/m0/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]4[C@@H]2[C@@H](C5=C3N(C6=CC=CC=C65)C)OC4
InChI: InChI=1S/C20H22N2O/c1-3-11-9-22-16-8-13(11)14-10-23-20(18(14)22)17-12-6-4-5-7-15(12)21(2)19(16)17/h3-7,13-14,16,18,20H,8-10H2,1-2H3/b11-3-/t13-,14-,16-,18+,20+/m0/s1
SMILES: CC1(O[C@H]2C[C@H]3[C@@H](C([C@H]2O1)O)OC(O3)(C)C)C
InChI: InChI=1S/C12H20O5/c1-11(2)14-6-5-7-10(8(13)9(6)16-11)17-12(3,4)15-7/h6-10,13H,5H2,1-4H3/t6-,7-,9-,10-/m0/s1
SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H](C3CCCCC3)NC(=O)C4=NC=CN=C4)CC
InChI: InChI=1S/C35H53N7O6/c1-6-11-24(28(43)33(47)38-23-14-15-23)39-32(46)27-21(7-2)16-19-42(27)34(48)29(35(3,4)5)41-31(45)26(22-12-9-8-10-13-22)40-30(44)25-20-36-17-18-37-25/h17-18,20-24,26-27,29H,6-16,19H2,1-5H3,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t21-,24-,26+,27-,29-/m0/s1
SMILES: CCOP(=O)([C@]1(C[C@H]1C=C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC3CCCC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)NS(=O)(=O)C7CC7
InChI: InChI=1S/C43H56N5O10PS/c1-7-28-25-43(28,59(52,56-8-2)47-60(53,54)32-19-20-32)46-39(49)36-23-31(26-48(36)40(50)38(42(3,4)5)45-41(51)58-29-16-12-13-17-29)57-37-24-34(27-14-10-9-11-15-27)44-35-22-30(55-6)18-21-33(35)37/h7,9-11,14-15,18,21-22,24,28-29,31-32,36,38H,1,8,12-13,16-17,19-20,23,25-26H2,2-6H3,(H,45,51)(H,46,49)(H,47,52)/t28-,31-,36+,38-,43+,59?/m1/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)OCC)ON2C5=CC=CC=C5)OC
InChI: InChI=1S/C29H30N2O6/c1-4-16-36-23-15-14-19(17-24(23)34-3)26-25-27(37-31(26)20-10-7-6-8-11-20)29(33)30(28(25)32)21-12-9-13-22(18-21)35-5-2/h6-15,17-18,25-27H,4-5,16H2,1-3H3/t25-,26-,27-/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)O[C@@H]2C[C@@H](CC[C@@H]2C(C)C)C
InChI: InChI=1S/C23H35NO4/c1-6-24(7-2)19-11-9-18(10-12-19)23(26)27-15-22(25)28-21-14-17(5)8-13-20(21)16(3)4/h9-12,16-17,20-21H,6-8,13-15H2,1-5H3/t17-,20-,21-/m1/s1
SMILES: CCCCCCC(CC)NC(=O)OC1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
InChI: InChI=1S/C22H34N2O2.C20H18O8/c1-4-6-7-8-9-17(5-2)24-21(25)26-18-11-10-16-14-20-22(3,12-13-23-20)19(16)15-18;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h10-11,15,17,20,23H,4-9,12-14H2,1-3H3,(H,24,25);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t17?,20-,22+;15-,16-/m11/s1
SMILES: C[C@]12C=C[C@](O1)([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Br)C
InChI: InChI=1S/C16H14BrNO3/c1-15-7-8-16(2,21-15)12-11(15)13(19)18(14(12)20)10-5-3-9(17)4-6-10/h3-8,11-12H,1-2H3/t11-,12+,15-,16+
SMILES: C1[C@@H]([C@@](O1)(CO)N2N=C3C=CC=CC3=N2)C4=CC=CC=C4
InChI: InChI=1S/C16H15N3O2/c20-11-16(13(10-21-16)12-6-2-1-3-7-12)19-17-14-8-4-5-9-15(14)18-19/h1-9,13,20H,10-11H2/t13-,16+/m1/s1
SMILES: COCCC(=O)N1C=C(C2=CC=CC=C21)CN(C3CC3)C(=O)[C@H]4CNCC[C@@H]4C5=CC=CC(=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H37N3O3/c1-40-19-17-33(38)37-23-27(30-12-5-6-13-32(30)37)22-36(28-14-15-28)34(39)31-21-35-18-16-29(31)26-11-7-10-25(20-26)24-8-3-2-4-9-24/h2-13,20,23,28-29,31,35H,14-19,21-22H2,1H3/t29-,31+/m1/s1
SMILES: CCCC[C@H](/C=C(\OC)/O[Si](C)(C)C)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)OC)OC(=O)OC)C)C
InChI: InChI=1S/C36H58O8Si/c1-11-12-13-24(20-32(39-5)44-45(8,9)10)23(2)28-16-17-29-27-15-14-25-21-26(42-33(37)40-6)22-31(43-34(38)41-7)36(25,4)30(27)18-19-35(28,29)3/h14-15,20,23-24,26,28-31H,11-13,16-19,21-22H2,1-10H3/b32-20+/t23-,24-,26-,28-,29+,30+,31+,35-,36+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=C(C(=CC=C2)OC)OC
InChI: InChI=1S/C20H29N3O3S/c1-13-7-5-9-16(14(13)2)21-20(27)23-22-18(24)12-11-15-8-6-10-17(25-3)19(15)26-4/h6,8,10-14,16H,5,7,9H2,1-4H3,(H,22,24)(H2,21,23,27)/b12-11+/t13-,14-,16-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)SC
InChI: InChI=1S/C24H25N5O2S/c1-23(2,3)31-22(30)29-10-9-17-18(11-25)21(28)24(13-26,14-27)20(19(17)12-29)15-5-7-16(32-4)8-6-15/h5-9,19-20H,10,12,28H2,1-4H3/t19-,20-/m1/s1
SMILES: C/C/1=C/[C@H]([C@H]2[C@@H](/C=C(\[C@@H](CC1)O)/C)OC(=O)C2=C)OC(=O)C(C)C
InChI: InChI=1S/C19H26O5/c1-10(2)18(21)23-15-8-11(3)6-7-14(20)12(4)9-16-17(15)13(5)19(22)24-16/h8-10,14-17,20H,5-7H2,1-4H3/b11-8-,12-9-/t14-,15-,16-,17+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O
InChI: InChI=1S/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5+,7+/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OS(=O)(=O)C6=CC=C(C=C6)C#N)C)CN1C
InChI: InChI=1S/C29H38N2O3S/c1-19-25-10-11-27-24-9-6-21-16-22(34-35(32,33)23-7-4-20(17-30)5-8-23)12-14-28(21,2)26(24)13-15-29(25,27)18-31(19)3/h4-8,19,22,24-27H,9-16,18H2,1-3H3/t19-,22-,24+,25+,26-,27-,28-,29-/m0/s1
SMILES: CCN1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=CC(=C3)OC)F
InChI: InChI=1S/C21H20FN5O/c1-3-27-7-6-14-16(9-23)20(26)21(11-24,12-25)19(17(14)10-27)15-8-13(28-2)4-5-18(15)22/h4-6,8,16-17,19,26H,3,7,10H2,1-2H3/t16?,17-,19+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3(C4=C(C=CC(=C4)Br)SC5=C3C=C(C=C5)Br)C6=CC=CC=C6)O
InChI: InChI=1S/C29H24Br2N2O5S/c1-16-14-33(28(36)32-27(16)35)26-13-22(34)23(38-26)15-37-29(17-5-3-2-4-6-17)20-11-18(30)7-9-24(20)39-25-10-8-19(31)12-21(25)29/h2-12,14,22-23,26,34H,13,15H2,1H3,(H,32,35,36)/t22-,23+,26+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN)O)O)N)N
InChI: InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-5(26)1-6(30)12(31)20(18)42-23-17(36)19(9(4-29)39-23)41-22-11(28)16(35)14(33)8(3-25)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2CN(C[C@H]2O)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C20H23NO5/c1-24-17-9-7-16(8-10-17)13-25-19-12-21(11-18(19)22)20(23)26-14-15-5-3-2-4-6-15/h2-10,18-19,22H,11-14H2,1H3/t18-,19-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC/C(=N\NC5=CC=CC=C5)/C4)C)C
InChI: InChI=1S/C33H52N2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(35-34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-13,23-25,28-31,34H,9-11,14-22H2,1-5H3/b35-27+/t24-,25+,28+,29-,30+,31+,32+,33-/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)C4=C(C(=C(C=C4)C)C)NC3=O)CC(=O)N
InChI: InChI=1S/C21H26N4O4/c1-4-5-8-25-18(27)15-13(9-14(22)26)24-21(16(15)19(25)28)12-7-6-10(2)11(3)17(12)23-20(21)29/h6-7,13,15-16,24H,4-5,8-9H2,1-3H3,(H2,22,26)(H,23,29)/t13-,15-,16+,21+/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NC(=O)CSC3=NN=C(O3)CC4=CC=CC=C4
InChI: InChI=1S/C18H21N3O2S/c22-16(19-15-9-13-6-7-14(15)8-13)11-24-18-21-20-17(23-18)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,19,22)/t13-,14-,15-/m0/s1
SMILES: CCN1C(=O)[C@@H]2CC[C@@H]\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N\O[C@H]4C=C[C@H](O[C@@H]4CO)CC=C)O)O
InChI: InChI=1S/C23H32N2O7/c1-3-5-12-6-9-17(18(11-26)31-12)32-24-15-10-16(27)21(28)19-13(15)7-8-14-20(19)23(30)25(4-2)22(14)29/h3,6,9,12-14,16-21,26-28H,1,4-5,7-8,10-11H2,2H3/b24-15+/t12-,13+,14-,16-,17+,18-,19+,20-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)[C@@H]2CCCC3=CC=CC=C23
InChI: InChI=1S/C20H30N2O/c1-15-8-3-6-12-18(15)21-20(23)14-22(2)19-13-7-10-16-9-4-5-11-17(16)19/h4-5,9,11,15,18-19H,3,6-8,10,12-14H2,1-2H3,(H,21,23)/p+1/t15-,18+,19-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4
InChI: InChI=1S/C27H25N5O2/c1-33-19-8-9-24(34-2)21(12-19)25-23-15-32(14-18-6-4-3-5-7-18)11-10-20(23)22(13-28)26(31)27(25,16-29)17-30/h3-10,12,23,25H,11,14-15,31H2,1-2H3/t23-,25+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C[C@H]([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=NC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H20N2O2/c28-24-22-20(17-7-3-1-4-8-17)11-12-21(18-9-5-2-6-10-18)23(22)25(29)27(24)19-13-15-26-16-14-19/h1-16,20-23H/t20-,21-,22-,23+/m0/s1
SMILES: CCOC(=O)C1=C(N=C2C[C@H]([C@H](C(=O)[C@H]2[C@H]1C3=CC(=CC=C3)O)C(=O)OC)C)C
InChI: InChI=1S/C22H25NO6/c1-5-29-22(27)17-12(3)23-15-9-11(2)16(21(26)28-4)20(25)19(15)18(17)13-7-6-8-14(24)10-13/h6-8,10-11,16,18-19,24H,5,9H2,1-4H3/t11-,16-,18+,19-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@@H]4CC(=NO4)C(C)C)O
InChI: InChI=1S/C22H25N3O7/c1-11(2)16-9-18(32-23-16)15-8-17-19(12(3)26)21(27)24(17)20(15)22(28)31-10-13-4-6-14(7-5-13)25(29)30/h4-7,11-12,17-19,26H,8-10H2,1-3H3/t12-,17-,18+,19-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl)OCC(=O)N
InChI: InChI=1S/C22H20ClF3N4O5/c1-10-17(20(32)29-13-5-3-4-12(8-13)22(24,25)26)18(30-21(33)28-10)11-6-14(23)19(15(7-11)34-2)35-9-16(27)31/h3-8,17-18H,1,9H2,2H3,(H2,27,31)(H,29,32)(H2,28,30,33)/t17-,18+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)NC5=CC=C(C=C5)OC
InChI: InChI=1S/C23H26N6O5/c1-28(2)16-8-4-14(5-9-16)22-25-26-27-29(22)18-12-32-21-19(13-33-20(18)21)34-23(30)24-15-6-10-17(31-3)11-7-15/h4-11,18-21H,12-13H2,1-3H3,(H,24,30)/t18-,19+,20+,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(Cl)(Cl)Cl)CSC5=CC=CC=N5
InChI: InChI=1S/C33H31Cl3N2O4S/c1-21-28(20-43-29-8-4-5-17-37-29)41-31(42-30(21)24-11-9-22(19-39)10-12-24)25-15-13-23(14-16-25)27-7-3-2-6-26(27)18-38-32(40)33(34,35)36/h2-17,21,28,30-31,39H,18-20H2,1H3,(H,38,40)/t21-,28+,30+,31+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)O)C(=O)N(C5=O)C8CCCCC8
InChI: InChI=1S/C39H39N3O5/c1-23-12-16-26(17-13-23)40-42-36(45)32-22-31-29(20-21-30-33(31)37(46)41(35(30)44)27-10-6-3-7-11-27)34(24-14-18-28(43)19-15-24)39(32,38(42)47)25-8-4-2-5-9-25/h2,4-5,8-9,12-20,27,30-34,40,43H,3,6-7,10-11,21-22H2,1H3/t30-,31+,32-,33-,34-,39+/m0/s1
SMILES: CCCC[C@@]1(C[C@]2([C@@H](CCC23OCCO3)[C@H]4[C@H]1[C@]5(CCC6(CC5=CC4)OCCO6)C)C)O
InChI: InChI=1S/C27H42O5/c1-4-5-9-25(28)18-24(3)21(8-10-27(24)31-15-16-32-27)20-7-6-19-17-26(29-13-14-30-26)12-11-23(19,2)22(20)25/h6,20-22,28H,4-5,7-18H2,1-3H3/t20-,21-,22-,23-,24-,25-/m0/s1
SMILES: CCC1=C(C(=O)OC(C1)C(C)([C@H]2CC[C@@]3([C@@]2(C(=O)C[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)C
InChI: InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24?,26+,27-,28?,29+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C/C=C/[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40O14/c1-13(29)33-12-19-21(35-15(3)31)23(36-16(4)32)20(34-14(2)30)17(37-19)10-9-11-18-22-24(40-27(5,6)39-22)25-26(38-18)42-28(7,8)41-25/h9,11,17-26H,10,12H2,1-8H3/b11-9+/t17-,18-,19-,20+,21+,22+,23-,24+,25-,26-/m1/s1
SMILES: C[C@@H]([C@@H](C(=O)NC[C@H]1C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C37H46N6O10/c1-20(39-35(49)51-19-27-25-13-9-7-11-23(25)24-12-8-10-14-26(24)27)32(47)42(6)21(2)30(41-36(50)53-37(3,4)5)31(46)38-18-22-17-28(44)33(52-22)43-16-15-29(45)40-34(43)48/h7-16,20-22,27-28,30,33,44H,17-19H2,1-6H3,(H,38,46)(H,39,49)(H,41,50)(H,40,45,48)/t20-,21-,22+,28+,30-,33+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@@]34[C@@]25C6=CC=CC=C6[C@]7(C8=C([C@@]7(C9=CC=CC=C93)C1=CC=CC=C51)C=C(C=C8)OC)C1=CC=CC=C41
InChI: InChI=1S/C42H28O2/c1-43-25-19-21-35-37(23-25)41-31-15-7-5-13-29(31)40-28-12-4-3-11-27(28)39(35,41)30-14-6-8-16-32(30)42(40,34-18-10-9-17-33(34)41)38-24-26(44-2)20-22-36(38)40/h3-24H,1-2H3/t39-,40-,41+,42+/m0/s1
SMILES: C1=CC=C2C(=C1)C3([C@@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=C(C=CC(=C6)C(F)(F)F)Cl)Br
InChI: InChI=1S/C25H13Br2ClF3NO2/c26-23-13-5-1-2-6-14(13)24(27,16-8-4-3-7-15(16)23)20-19(23)21(33)32(22(20)34)18-11-12(25(29,30)31)9-10-17(18)28/h1-11,19-20H/t19-,20+,23?,24?
SMILES: C[C@@H]1CC[C@@H]2[C@@]([C@]1(CC[C@@]3(CC[C@H](OO3)[C@H](C)C(=O)OC)C)O)(CCCC2(C)C)C
InChI: InChI=1S/C25H44O5/c1-17-9-10-20-22(3,4)12-8-13-24(20,6)25(17,27)16-15-23(5)14-11-19(29-30-23)18(2)21(26)28-7/h17-20,27H,8-16H2,1-7H3/t17-,18+,19+,20+,23+,24+,25-/m1/s1
SMILES: CC/C=C\[C@@H]1[C@H](O1)C(C(C)C(=O)[C@]2([C@H](/C(=C/C3=CC=CC=C3)/NC2=O)O[Si](C(C)C)(C(C)C)C(C)C)O)O
InChI: InChI=1S/C30H45NO6Si/c1-9-10-16-24-26(36-24)25(32)21(8)27(33)30(35)28(37-38(18(2)3,19(4)5)20(6)7)23(31-29(30)34)17-22-14-12-11-13-15-22/h10-21,24-26,28,32,35H,9H2,1-8H3,(H,31,34)/b16-10-,23-17-/t21?,24-,25?,26+,28+,30-/m1/s1
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H28N2O5/c1-27-20(25)15-9-10-16(21(26)28-2)17(12-15)22-19(24)13-23-11-5-7-14-6-3-4-8-18(14)23/h9-10,12,14,18H,3-8,11,13H2,1-2H3,(H,22,24)/p+1/t14-,18+/m1/s1
SMILES: COC1=CC(=C(C=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7
InChI: InChI=1S/C35H27BrN2O6/c1-44-21-11-14-28(39)25(15-21)30-22-12-13-23-31(24(22)16-26-32(30)29(40)17-27(36)33(26)41)35(43)38(34(23)42)20-9-7-19(8-10-20)37-18-5-3-2-4-6-18/h2-12,14-15,17,23-24,30-31,37,39H,13,16H2,1H3/t23-,24+,30+,31-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](N[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@H]([C@H]([C@H](O3)CO)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C
InChI: InChI=1S/C41H64N6O10/c1-11-31-41(7)35(47(39(52)57-41)18-13-12-17-46-21-29(43-23-46)28-15-14-16-42-20-28)27(5)44-24(2)19-40(6,53-10)36(25(3)33(49)26(4)37(51)55-31)56-38-34(50)32(45(8)9)30(22-48)54-38/h14-16,20-21,23-27,30-32,34-36,38,44,48,50H,11-13,17-19,22H2,1-10H3/t24-,25+,26-,27-,30-,31-,32+,34+,35-,36-,38+,40+,41-/m1/s1
SMILES: CC[C@]12[C@H](C(=O)[C@H]([C@H](O1)[C@H]3O[C@@H]2OO3)C)C
InChI: InChI=1S/C11H16O5/c1-4-11-6(3)7(12)5(2)8(14-11)9-13-10(11)16-15-9/h5-6,8-10H,4H2,1-3H3/t5-,6+,8+,9+,10-,11-/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](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=O)(O)OCCC#N
InChI: InChI=1S/C41H39N6O9P/c1-51-32-18-14-30(15-19-32)41(29-12-7-4-8-13-29,31-16-20-33(52-2)21-17-31)53-25-35-34(56-57(49,50)54-23-9-22-42)24-36(55-35)47-27-45-37-38(43-26-44-39(37)47)46-40(48)28-10-5-3-6-11-28/h3-8,10-21,26-27,34-36H,9,23-25H2,1-2H3,(H,49,50)(H,43,44,46,48)/t34-,35+,36+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=CC(=C2C)C
InChI: InChI=1S/C19H27NO3/c1-12-7-5-9-16(14(12)3)19(22)23-11-18(21)20-17-10-6-8-13(2)15(17)4/h5,7,9,13,15,17H,6,8,10-11H2,1-4H3,(H,20,21)/t13-,15-,17-/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=C(C=C8)C(=O)O)O)Br)Br)O
InChI: InChI=1S/C40H29Br2ClFN3O9/c1-56-29-16-26(32(41)33(42)34(29)49)31-22-12-13-24-30(37(52)46(35(24)50)21-10-11-23(38(53)54)28(48)14-21)25(22)15-27-36(51)47(45-20-8-6-19(44)7-9-20)39(55)40(27,31)17-2-4-18(43)5-3-17/h2-12,14,16,24-25,27,30-31,45,48-49H,13,15H2,1H3,(H,53,54)/t24-,25+,27-,30-,31+,40+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=C5C=CC(=CC5=CC(=N4)C6=CC=C(C=C6)OC(F)(F)F)N(C)C)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C44H53F3N6O9S/c1-42(2,3)62-41(57)49-34-12-10-8-6-7-9-11-28-24-43(28,40(56)51-63(58,59)32-18-19-32)50-37(54)36-23-31(25-53(36)39(34)55)60-38-33-20-15-29(52(4)5)21-27(33)22-35(48-38)26-13-16-30(17-14-26)61-44(45,46)47/h9,11,13-17,20-22,28,31-32,34,36H,6-8,10,12,18-19,23-25H2,1-5H3,(H,49,57)(H,50,54)(H,51,56)/b11-9-/t28-,31-,34+,36+,43-/m1/s1
SMILES: CN([C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)CC7=CC(=C(C=C7)Cl)Cl
InChI: InChI=1S/C29H32Cl2N2O4/c1-32(24(35)13-17-4-6-19(30)20(31)12-17)21-8-9-29(36)23-14-18-5-7-22(34)26-25(18)28(29,27(21)37-26)10-11-33(23)15-16-2-3-16/h4-7,12,16,21,23,27,34,36H,2-3,8-11,13-15H2,1H3/t21-,23+,27-,28-,29+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H21N3O4/c27-20(14-26-22(29)16-10-4-5-11-17(16)23(26)30)25-19-13-7-6-12-18(19)21(28)24-15-8-2-1-3-9-15/h1-9,12-13,16-17H,10-11,14H2,(H,24,28)(H,25,27)/t16-,17-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C)[C@@]3(N1)C4=CC=CC=C4N(C3=O)CC=C
InChI: InChI=1S/C18H19N3O3/c1-4-9-21-12-8-6-5-7-11(12)18(17(21)24)14-13(10(2)19-18)15(22)20(3)16(14)23/h4-8,10,13-14,19H,1,9H2,2-3H3/t10-,13-,14+,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C3=NN=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C21H24N4O5/c1-13-8-6-7-11-21(13)19(27)25(20(28)22-21)12-16(26)29-14(2)17-23-24-18(30-17)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,22,28)/t13-,14+,21-/m1/s1
SMILES: CC(=O)SC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC(=N3)C(=O)N)OC(O2)(C)C
InChI: InChI=1S/C13H18N4O5S/c1-6(18)23-4-7-8-9(22-13(2,3)21-8)12(20-7)17-5-15-11(16-17)10(14)19/h5,7-9,12H,4H2,1-3H3,(H2,14,19)/t7-,8-,9-,12-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2CC(=O)NCC4=CC=CC=C4Cl)CCC5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C28H37ClN2O2/c1-27-14-12-22-20(9-11-24-28(22,2)15-13-26(33)31(24)3)21(27)10-8-19(27)16-25(32)30-17-18-6-4-5-7-23(18)29/h4-7,13,15,19-22,24H,8-12,14,16-17H2,1-3H3,(H,30,32)/t19-,20?,21?,22?,24?,27-,28-/m1/s1
SMILES: CC(=O)N([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C4CCCCCC4
InChI: InChI=1S/C24H32N2O5/c1-15(28)26(16-8-4-2-3-5-9-16)19-14-18(24(30)25-12-13-27)21-17-10-6-7-11-20(17)31-23(21)22(19)29/h6-7,10-11,14,16,19,21-23,27,29H,2-5,8-9,12-13H2,1H3,(H,25,30)/t19-,21+,22+,23+/m1/s1
SMILES: COC(=O)/C(=C\O)/[C@H]1CC2C3=C(CCN2[C@H]([C@H]1C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC=C5N3
InChI: InChI=1S/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11-/t13-,16-,19?,20+,22+,23-,24+,25-,27-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)O)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21+,22-,23-,25-,26+,27-,28-,29-,30+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCCCN3CCCN(CCN(CCCN(CC3)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C40H67N9O11/c1-28-26-49(34(52)42-33(28)51)31-25-29(43-44-41)30(57-31)27-56-32(50)15-11-12-16-45-17-13-18-47(36(54)59-39(5,6)7)23-24-48(37(55)60-40(8,9)10)20-14-19-46(22-21-45)35(53)58-38(2,3)4/h26,29-31H,11-25,27H2,1-10H3,(H,42,51,52)/t29-,30+,31+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O[Si](C)(C)C(C)(C)C)CCCCCCCCO)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H68O3Si2/c1-36(2,3)42(8,9)40-30-20-22-31-28(26-30)19-21-33-32(31)23-24-38(7)34(33)27-29(18-16-14-12-13-15-17-25-39)35(38)41-43(10,11)37(4,5)6/h20,22,26,29,32-35,39H,12-19,21,23-25,27H2,1-11H3/t29-,32+,33+,34-,35-,38-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C(=O)OC)O
InChI: InChI=1S/C37H31NO8/c1-45-22-13-14-24(29(39)17-22)32-23-15-16-25-31(35(43)38(34(25)42)36(44)46-2)27(23)18-28-33(41)26(20-9-5-3-6-10-20)19-30(40)37(28,32)21-11-7-4-8-12-21/h3-15,17,19,25,27-28,31-32,39H,16,18H2,1-2H3/t25-,27+,28-,31-,32+,37-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)[C@]23C[C@]2(CCC3=O)C)C
InChI: InChI=1S/C16H20O3S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-9-15(16,4)6-5-13(16)17/h7-8H,5-6,9H2,1-4H3/t15-,16+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CCC2=CC(=C(C(=C2C3=CC[C@@H]([C@@H](C=C13)O)O)OC)OC)OC
InChI: InChI=1S/C25H38O6Si/c1-25(2,3)32(7,8)31-20-12-9-15-13-21(28-4)23(29-5)24(30-6)22(15)16-10-11-18(26)19(27)14-17(16)20/h10,13-14,18-20,26-27H,9,11-12H2,1-8H3/t18-,19+,20+/m0/s1
SMILES: C[N+]1=C2C=CC(=NN2C=C1)CC/C=C/C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC5CCCC5)/C6=NSC(=N6)N)SC3)C(=O)[O-]
InChI: InChI=1S/C27H29N9O5S2/c1-34-12-13-35-18(34)11-10-16(31-35)7-3-2-6-15-14-42-25-20(24(38)36(25)21(15)26(39)40)29-23(37)19(22-30-27(28)43-33-22)32-41-17-8-4-5-9-17/h2,6,10-13,17,20,25H,3-5,7-9,14H2,1H3,(H3-,28,29,30,33,37,39,40)/b6-2+,32-19-/t20-,25-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@H]2CC(=O)N3CC[C@H](C3)O)O)(C)CO)OC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C27H37F3N2O6/c1-25-10-8-22(38-24(37)31-17-5-3-4-16(12-17)27(28,29)30)26(2,15-33)21(25)7-6-20(35)19(25)13-23(36)32-11-9-18(34)14-32/h3-5,12,18-22,33-35H,6-11,13-15H2,1-2H3,(H,31,37)/t18-,19-,20-,21+,22-,25+,26+/m1/s1
SMILES: C[C@@H]1CN([C@H]2CC(C[C@@]1(C2)C3=CC(=CC=C3)OC(C)C)O)C
InChI: InChI=1S/C19H29NO2/c1-13(2)22-18-7-5-6-15(8-18)19-10-16(9-17(21)11-19)20(4)12-14(19)3/h5-8,13-14,16-17,21H,9-12H2,1-4H3/t14-,16+,17?,19-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2CC(=O)[C@H]3[C@@H](N4C(=NC=N4)NC3=C2)C5=CC=CS5
InChI: InChI=1S/C20H18N4O2S/c1-26-14-6-4-12(5-7-14)13-9-15-18(16(25)10-13)19(17-3-2-8-27-17)24-20(23-15)21-11-22-24/h2-9,11,13,18-19H,10H2,1H3,(H,21,22,23)/t13-,18-,19-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CNS(=O)(=O)C3=CC4=C(CCCC4)C=C3
InChI: InChI=1S/C21H30N2O3S/c24-21(23-12-11-17-6-2-4-8-19(17)15-23)14-22-27(25,26)20-10-9-16-5-1-3-7-18(16)13-20/h9-10,13,17,19,22H,1-8,11-12,14-15H2/t17-,19-/m1/s1
SMILES: C[C@@]1(C[C@H]1C(=O)NNC(=O)C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C19H18N2O4/c1-19(12-7-3-2-4-8-12)11-15(19)17(23)21-20-16(22)13-9-5-6-10-14(13)18(24)25/h2-10,15H,11H2,1H3,(H,20,22)(H,21,23)(H,24,25)/p-1/t15-,19+/m0/s1