EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[NH+]1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C19H15Cl2N5/c1-26-6-5-11-13(7-22)18(25)19(9-23,10-24)16(14(11)8-26)12-3-2-4-15(20)17(12)21/h2-5,13-14,16,25H,6,8H2,1H3/p+1/t13?,14-,16-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)CCCO
InChI: InChI=1S/C36H50O6Si/c1-36(2,3)43(4,5)42-34-31(22-15-23-37)41-32(27-38-24-28-16-9-6-10-17-28)33(39-25-29-18-11-7-12-19-29)35(34)40-26-30-20-13-8-14-21-30/h6-14,16-21,31-35,37H,15,22-27H2,1-5H3/t31-,32-,33-,34+,35+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@@H]2[C@H](N3C(=NC=N3)NC2=C)C4=CC(=C(C=C4)OCC(=O)N)OC
InChI: InChI=1S/C23H24N6O4/c1-13-6-4-5-7-16(13)28-22(31)20-14(2)27-23-25-12-26-29(23)21(20)15-8-9-17(18(10-15)32-3)33-11-19(24)30/h4-10,12,20-21H,2,11H2,1,3H3,(H2,24,30)(H,28,31)(H,25,26,27)/t20-,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)CNC(=O)NCC4=CC=CC=C4)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C39H45N3O6/c1-26-36(24-42-18-17-32-19-34(45-2)35(46-3)20-33(32)23-42)47-38(48-37(26)30-13-11-29(25-43)12-14-30)31-15-9-28(10-16-31)22-41-39(44)40-21-27-7-5-4-6-8-27/h4-16,19-20,26,36-38,43H,17-18,21-25H2,1-3H3,(H2,40,41,44)/t26-,36+,37+,38+/m1/s1
SMILES: C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O
InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m0/s1
SMILES: CN1[C@H]([C@H]2[C@@H](O1)CC[P@]2(=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H18Cl2NO2P/c1-21-17(14-8-7-12(19)11-15(14)20)18-16(23-21)9-10-24(18,22)13-5-3-2-4-6-13/h2-8,11,16-18H,9-10H2,1H3/t16-,17-,18+,24-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2NC(=S)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl)Cl
InChI: InChI=1S/C22H16Cl3N3O2S/c23-14-6-9-16(10-7-14)30-18-11-8-15(12-17(18)24)26-22(31)27-28-20(19(25)21(28)29)13-4-2-1-3-5-13/h1-12,19-20H,(H2,26,27,31)/t19-,20+/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@@H]4CCCC4=C5CCC[C@H]5[C@H]3C2=O)C
InChI: InChI=1S/C22H25NO2/c1-12-9-10-18(13(2)11-12)23-21(24)19-16-7-3-5-14(16)15-6-4-8-17(15)20(19)22(23)25/h9-11,16-17,19-20H,3-8H2,1-2H3/t16-,17-,19-,20-/m1/s1
SMILES: CC1([C@@H]2[C@H]1C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN3CCCS3(=O)=O)C(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)N)C
InChI: InChI=1S/C31H52N6O7S/c1-29(2,3)20(16-36-12-9-13-45(36,43)44)34-28(42)35-24(30(4,5)6)27(41)37-15-18-21(31(18,7)8)22(37)26(40)33-19(14-17-10-11-17)23(38)25(32)39/h17-22,24H,9-16H2,1-8H3,(H2,32,39)(H,33,40)(H2,34,35,42)/t18-,19?,20+,21-,22?,24+/m0/s1
SMILES: C[C@@]12[C@@H]3CC[C@@]1([C@@H]4CC[C@@]56C[C@H]7C[C@H]([C@@]5([C@H]4[C@@H]([C@@H]2O)O)C=O)O[C@@](O7)(O6)C)OC=C3/C=C/C(=O)OC
InChI: InChI=1S/C27H34O9/c1-23-16-7-9-27(23,33-12-14(16)4-5-19(29)32-3)17-6-8-25-11-15-10-18(35-24(2,34-15)36-25)26(25,13-28)20(17)21(30)22(23)31/h4-5,12-13,15-18,20-22,30-31H,6-11H2,1-3H3/b5-4+/t15-,16-,17-,18-,20-,21+,22+,23+,24-,25-,26-,27+/m1/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]1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28-,30+,31+,32+/m0/s1
SMILES: C[C@@H]1CC[C@H]2CCC(=O)[C@@]23[C@@]1([C@H](O[C@H]3OC)C[C@](C)(CO[Si](C)(C)C(C)(C)C)C=C)C
InChI: InChI=1S/C26H46O4Si/c1-11-24(6,17-29-31(9,10)23(3,4)5)16-21-25(7)18(2)12-13-19-14-15-20(27)26(19,25)22(28-8)30-21/h11,18-19,21-22H,1,12-17H2,2-10H3/t18-,19+,21-,22-,24-,25+,26+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CS2
InChI: InChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-11-10-12-24-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3/t14-,15+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)C(=O)[C@@H]3CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C17H30O4Si/c1-16(2,3)22(6,7)19-9-12-10-8-11(13(12)18)15-14(10)20-17(4,5)21-15/h10-12,14-15H,8-9H2,1-7H3/t10-,11+,12-,14-,15+/m1/s1
SMILES: C[C@H]1[C@H](N([C@@H](C[C@@]1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C26H29NO/c1-20-25(23-16-10-5-11-17-23)27(2)24(22-14-8-4-9-15-22)19-26(20,28)18-21-12-6-3-7-13-21/h3-17,20,24-25,28H,18-19H2,1-2H3/t20-,24-,25-,26+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4(C(=O)CO)O)C)O
InChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21?/m0/s1
SMILES: C1CC=C2[C@H](C1)[C@H](C(C(=[NH2+])[C@H]2C#N)(C#N)C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H15ClN4/c20-13-7-5-12(6-8-13)17-15-4-2-1-3-14(15)16(9-21)18(24)19(17,10-22)11-23/h3,5-8,15-17,24H,1-2,4H2/p+1/t15-,16-,17+/m0/s1
SMILES: CC#CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)COC(=O)C)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H42O18/c1-9-10-24-11-13-25(14-12-24)50-34-32(48-22(7)41)31(47-21(6)40)29(27(51-34)16-44-18(3)37)53-35-33(49-23(8)42)30(46-20(5)39)28(45-19(4)38)26(52-35)15-43-17(2)36/h11-14,26-35H,15-16H2,1-8H3/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m1/s1
SMILES: CC[C@@H]1C=C2C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCCC4C(=O)O[C@@H](CCCC1(OC2)O)/C(=C\CCC(CO)O)/C)C)C)OC)OC)C
InChI: InChI=1S/C40H65NO11/c1-8-29-22-28-19-25(2)20-33(48-6)35-34(49-7)21-27(4)39(5,52-35)36(44)37(45)41-18-10-9-15-31(41)38(46)51-32(16-12-17-40(29,47)50-24-28)26(3)13-11-14-30(43)23-42/h13,22,25,27,29-35,42-43,47H,8-12,14-21,23-24H2,1-7H3/b26-13-/t25-,27+,29+,30?,31?,32-,33-,34-,35+,39+,40?/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(/C=C/C5=CC=CC=C5)O)C)O
InChI: InChI=1S/C27H38O2/c1-25-14-11-21(28)18-20(25)8-9-22-23(25)12-15-26(2)24(22)13-17-27(26,29)16-10-19-6-4-3-5-7-19/h3-7,10,16,20-24,28-29H,8-9,11-15,17-18H2,1-2H3/b16-10+/t20-,21+,22+,23-,24+,25-,26+,27-/m0/s1
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C18H23N3O5S/c1-4-26-17(25)13-9(2)19-18(27-13)20-14(22)10(3)21-15(23)11-7-5-6-8-12(11)16(21)24/h10-12H,4-8H2,1-3H3,(H,19,20,22)/t10-,11-,12-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC(=C5O)CC=C)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C44H41N5O5/c1-5-10-26-11-9-14-34(39(26)50)38-32-23-24-33-37(35(32)25-36-41(52)49(43(54)44(36,38)2)30-12-7-6-8-13-30)42(53)48(40(33)51)31-21-17-28(18-22-31)46-45-27-15-19-29(20-16-27)47(3)4/h5-9,11-23,33,35-38,50H,1,10,24-25H2,2-4H3/t33-,35+,36-,37-,38+,44+/m0/s1
SMILES: COCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N
InChI: InChI=1S/C19H21FN4O5/c1-29-7-6-24-16(26)14-12(4-5-13(21)25)23-19(15(14)17(24)27)10-8-9(20)2-3-11(10)22-18(19)28/h2-3,8,12,14-15,23H,4-7H2,1H3,(H2,21,25)(H,22,28)/p+1/t12-,14+,15-,19-/m0/s1
SMILES: CC(=O)[C@@H]1C[C@@H]2[C@@]([C@]1(CCC3=CCOC3=O)O)(CCCC2(C)C)C
InChI: InChI=1S/C20H30O4/c1-13(21)15-12-16-18(2,3)8-5-9-19(16,4)20(15,23)10-6-14-7-11-24-17(14)22/h7,15-16,23H,5-6,8-12H2,1-4H3/t15-,16-,19-,20+/m0/s1
SMILES: CCC12[C@@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)C)Br
InChI: InChI=1S/C27H22BrNO2/c1-3-27-19-10-6-4-8-17(19)22(18-9-5-7-11-20(18)27)23-24(27)26(31)29(25(23)30)16-13-12-15(2)21(28)14-16/h4-14,22-24H,3H2,1-2H3/t22?,23-,24+,27?/m0/s1
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C19H22N2O4/c22-17-6-3-11-21(17)14-9-7-13(8-10-14)12-20-18(23)15-4-1-2-5-16(15)19(24)25/h1-2,7-10,15-16H,3-6,11-12H2,(H,20,23)(H,24,25)/p-1/t15-,16-/m0/s1
SMILES: CCOC(=O)[C@@H]1CCC[C@H]([C@@H]1O)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C17H23NO5/c1-2-22-16(20)13-9-6-10-14(15(13)19)18-17(21)23-11-12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H,18,21)/t13-,14-,15-/m1/s1
SMILES: C[C@]12CCC[C@@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OC
InChI: InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-6-12-5-7-13(19)11-14(12)17/h5,7,11,15,19H,4,6,8-10H2,1-3H3/t15-,17-,18-/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)C8CC8)OCC=C
InChI: InChI=1S/C50H59N3O7/c1-4-27-59-50-46(53(49(56)35-21-22-35)31-37-17-12-16-34-14-5-6-19-40(34)37)30-44(52-57-3)42-28-36(15-7-9-25-54)41(20-8-10-26-55)47(48(42)50)43-29-39(23-24-45(43)60-50)58-32-38-18-11-13-33(2)51-38/h4-6,11-14,16-19,23-24,28-29,35-36,41,46-48,54-55H,1,7-10,15,20-22,25-27,30-32H2,2-3H3/t36-,41+,46-,47+,48+,50+/m0/s1
SMILES: CCC([C@H]1CCCC(=O)[C@@H]1C(=O)N(C)C)[Se]C2=CC=CC=C2
InChI: InChI=1S/C18H25NO2Se/c1-4-16(22-13-9-6-5-7-10-13)14-11-8-12-15(20)17(14)18(21)19(2)3/h5-7,9-10,14,16-17H,4,8,11-12H2,1-3H3/t14-,16?,17-/m1/s1
SMILES: CC(C)C(C)C=CC(C)[C@H]1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/t19?,20?,21?,24-,25?,26?,27+,28-/m1/s1
SMILES: CN([C@@H]1[C@H](CCC2=C1C=C(C=C2)O)N3CCCC3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5.Cl
InChI: InChI=1S/C30H34N2O2.ClH/c1-31(29(34)21-26(22-10-4-2-5-11-22)23-12-6-3-7-13-23)30-27-20-25(33)16-14-24(27)15-17-28(30)32-18-8-9-19-32;/h2-7,10-14,16,20,26,28,30,33H,8-9,15,17-19,21H2,1H3;1H/t28-,30-;/m0./s1
SMILES: CC(=O)O[C@H]1CC2CC3([C@@H]1C4([C@H](C(=O)[C@@H]3OC(=O)C)C([C@H](CC4OC(=O)C)O)(C)C)C)C(=O)C2=C
InChI: InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15?,16-,17-,18?,20-,21+,23-,25?,26?/m0/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C)C
InChI: InChI=1S/C33H32N2O9/c1-15-16(2)30(38)33(3)23(28(15)36)14-22-20(27(33)17-12-24(43-4)29(37)25(13-17)44-5)10-11-21-26(22)32(40)34(31(21)39)18-6-8-19(9-7-18)35(41)42/h6-10,12-13,21-23,26-27,37H,11,14H2,1-5H3/t21-,22+,23-,26-,27-,33+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CC(=O)O
InChI: InChI=1S/C11H13NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h5-6,8-9H,1-4H2,(H,13,14)/t5-,6+,8-,9-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C/C=C\O[C@H]1C[C@@H]2[C@H]([C@H](C[C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[C@]1(C)CCC=O
InChI: InChI=1S/C41H63O6Si2.3C4H9.Sn/c1-12-26-43-38-28-36-39(46-41(38,11)24-19-25-42)37(47-48(30(2)3,31(4)5)32(6)7)27-33(45-36)29-44-49(40(8,9)10,34-20-15-13-16-21-34)35-22-17-14-18-23-35;3*1-3-4-2;/h12-18,20-23,25-26,30-33,36-39H,1,19,24,27-29H2,2-11H3;3*1,3-4H2,2H3;/b26-12-;;;;/t33-,36+,37-,38-,39+,41+;;;;/m0..../s1
SMILES: CC(=CC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C
InChI: InChI=1S/C27H28Cl2N2O5/c1-15(2)11-23(33)31(14-16-7-8-17(28)12-20(16)29)21-13-19(27(35)30-9-10-32)24-18-5-3-4-6-22(18)36-26(24)25(21)34/h3-8,11-13,21,24-26,32,34H,9-10,14H2,1-2H3,(H,30,35)/t21-,24+,25+,26+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)C
InChI: InChI=1S/C21H27NO4/c1-13-7-8-17-16(11-25-19(17)9-13)10-21(24)26-12-20(23)22-18-6-4-5-14(2)15(18)3/h7-9,11,14-15,18H,4-6,10,12H2,1-3H3,(H,22,23)/t14-,15+,18+/m1/s1
SMILES: CCC/C=C/C(=O)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C20H26O5/c1-4-5-7-12-15(21)16-17(22-13-14-10-8-6-9-11-14)18-19(23-16)25-20(2,3)24-18/h6-12,16-19H,4-5,13H2,1-3H3/b12-7+/t16-,17+,18-,19-/m1/s1
SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3[14CH]=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)O)[N+](=O)[O-]
InChI: InChI=1S/C16H16FN7O14P2/c17-6-1-9(8(24(28)29)2-7(6)23(26)27)36-13-10(3-35-40(33,34)38-39(30,31)32)37-16(12(13)25)22-5-21-11-14(18)19-4-20-15(11)22/h1-2,4-5,10,12-13,16,25H,3H2,(H,33,34)(H2,18,19,20)(H2,30,31,32)/t10-,12-,13-,16-/m1/s1/i5+2
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CC(=CC[C@@H]3C(=O)O)C
InChI: InChI=1S/C18H20N2O4S/c1-3-24-11-5-7-14-15(9-11)25-18(19-14)20-16(21)13-8-10(2)4-6-12(13)17(22)23/h4-5,7,9,12-13H,3,6,8H2,1-2H3,(H,22,23)(H,19,20,21)/t12-,13-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCC(=O)O)C5=C(C=C(C=C5)O)OC
InChI: InChI=1S/C27H25NO8/c1-12-9-19(30)18-11-17-14(5-6-16-23(17)27(35)28(26(16)34)8-7-21(31)32)22(24(18)25(12)33)15-4-3-13(29)10-20(15)36-2/h3-5,9-10,16-17,22-23,29H,6-8,11H2,1-2H3,(H,31,32)/t16-,17+,22+,23-/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@H](C[C@H](O6)OCCOCCO)C7=COC8=CC=CC=C8C7=O)OC)OC)OC)OC
InChI: InChI=1S/C48H58N2O11/c1-6-29-27-49-13-11-30-21-41(54-2)43(56-4)25-35(30)38(49)19-32(29)20-39-36-26-44(57-5)42(55-3)22-31(36)12-14-50(39)48(53)45-23-33(24-46(61-45)59-18-17-58-16-15-51)37-28-60-40-10-8-7-9-34(40)47(37)52/h7-10,21-23,25-26,28-29,32-33,38-39,46,51H,6,11-20,24,27H2,1-5H3/t29-,32+,33+,38-,39+,46-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C21H30N2O4/c1-13-8-9-17(10-15(13)3)21(26)22-11-20(25)27-12-19(24)23-18-7-5-6-14(2)16(18)4/h8-10,14,16,18H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,24)/t14-,16-,18+/m0/s1
SMILES: CCOC(=O)[C@@H](C)OC1=C(C=C(C=C1Br)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC)OC
InChI: InChI=1S/C19H23BrN2O6S/c1-6-27-17(23)10(3)28-16-12(20)7-11(8-13(16)25-4)15-14(18(24)26-5)9(2)21-19(29)22-15/h7-8,10,14-15H,2,6H2,1,3-5H3,(H2,21,22,29)/t10-,14+,15+/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)[C@H]3[C@@H]4CCCC=C4[C@H](C(=N)C3(C#N)C#N)C#N)C5=CC=CC=C51
InChI: InChI=1S/C27H23N5/c1-2-32-23-10-6-5-8-19(23)21-13-17(11-12-24(21)32)25-20-9-4-3-7-18(20)22(14-28)26(31)27(25,15-29)16-30/h5-8,10-13,20,22,25,31H,2-4,9H2,1H3/t20-,22-,25+/m1/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)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCCCC6
InChI: InChI=1S/C40H47N3O6S/c1-28-11-21-35(22-12-28)50(46,47)42-36(25-30-9-5-3-6-10-30)39(45)41-34-19-17-33(18-20-34)40-48-37(26-43-23-7-4-8-24-43)29(2)38(49-40)32-15-13-31(27-44)14-16-32/h3,5-6,9-22,29,36-38,40,42,44H,4,7-8,23-27H2,1-2H3,(H,41,45)/t29-,36+,37+,38+,40+/m0/s1
SMILES: CC[C@H]1[C@@H](N(CN(C1=O)[C@@H](C)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H30N2O3/c1-3-25-26(24-17-11-6-12-18-24)30(28(32)33-19-22-13-7-4-8-14-22)20-29(27(25)31)21(2)23-15-9-5-10-16-23/h4-18,21,25-26H,3,19-20H2,1-2H3/t21-,25-,26-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=C(C=C2)CN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C38H49N3O6/c1-38(2,3)47-37(45)39-32(22-26-9-5-4-6-10-26)33(42)24-30(36(44)40-35-31-12-8-7-11-29(31)23-34(35)43)21-27-13-15-28(16-14-27)25-41-17-19-46-20-18-41/h4-16,30,32-35,42-43H,17-25H2,1-3H3,(H,39,45)(H,40,44)/t30-,32-,33-,34+,35-/m0/s1
SMILES: C1CN(CCN1C(=O)CNC(=O)CNC(=S)NC2=CC=C(C=C2)CNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)CNC(=O)CN5C(=O)C=CC5=O
InChI: InChI=1S/C34H44N10O8S2/c45-25(4-2-1-3-24-32-23(20-54-24)40-33(52)41-32)35-15-21-5-7-22(8-6-21)39-34(53)38-16-26(46)36-17-30(50)42-11-13-43(14-12-42)31(51)18-37-27(47)19-44-28(48)9-10-29(44)49/h5-10,23-24,32H,1-4,11-20H2,(H,35,45)(H,36,46)(H,37,47)(H2,38,39,53)(H2,40,41,52)/t23-,24-,32-/m0/s1
SMILES: C[C@]12CCC3(C=C1CC[C@@H]4[C@@H]2C(=O)C[C@@]5([C@@H]4CCC56OCCO6)C)OCCO3
InChI: InChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h13,16-17,19H,3-12,14H2,1-2H3/t16-,17+,19+,20-,21+/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5OC)Cl
InChI: InChI=1S/C25H25ClN4O5/c1-12-15(26)8-7-14-21(12)28-24(34)25(14)20-19(16(29-25)9-10-18(27)31)22(32)30(23(20)33)11-13-5-3-4-6-17(13)35-2/h3-8,16,19-20,29H,9-11H2,1-2H3,(H2,27,31)(H,28,34)/p+1/t16-,19-,20+,25+/m1/s1
SMILES: CC1=CC(=CC=C1)C2=C(OC(=C2)C(=O)[C@@H](C)C(=O)N3[C@@H](COC3=O)CC4=CC=CC=C4)CCCO[C@H]5[C@H]([C@@H]([C@H](O[C@@H]5OC)CO)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C49H53NO11/c1-32-15-13-22-37(25-32)39-27-41(43(52)33(2)47(53)50-38(31-59-49(50)54)26-34-16-7-4-8-17-34)60-40(39)23-14-24-56-46-45(58-30-36-20-11-6-12-21-36)44(42(28-51)61-48(46)55-3)57-29-35-18-9-5-10-19-35/h4-13,15-22,25,27,33,38,42,44-46,48,51H,14,23-24,26,28-31H2,1-3H3/t33-,38-,42-,44-,45+,46+,48+/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CCN=C(N)N
InChI: InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37+,38-,39-/m1/s1
SMILES: COC(=O)COCC(=C)C1=C[C@H]2C[C@H]([C@@H]([C@H]2C1)/C=C/[C@H](C3CCCC3)OC4CCCCO4)OC5CCCCO5
InChI: InChI=1S/C32H48O7/c1-22(20-35-21-30(33)34-2)24-17-25-19-29(39-32-12-6-8-16-37-32)26(27(25)18-24)13-14-28(23-9-3-4-10-23)38-31-11-5-7-15-36-31/h13-14,17,23,25-29,31-32H,1,3-12,15-16,18-21H2,2H3/b14-13+/t25-,26+,27-,28+,29+,31?,32?/m0/s1
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4C[C@H]([C@@H](C4)F)CN)F)C(=O)O
InChI: InChI=1S/C17H18F2N4O3/c18-12-3-10-14(24)11(17(25)26)6-23(9-1-2-9)15(10)21-16(12)22-5-8(4-20)13(19)7-22/h3,6,8-9,13H,1-2,4-5,7,20H2,(H,25,26)/t8-,13-/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H14Cl2N2O2/c1-10-14(17(23)11-6-3-2-4-7-11)16(22-18(24)21-10)15-12(19)8-5-9-13(15)20/h2-9,14,16H,1H2,(H2,21,22,24)/t14-,16-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=NOCC(=O)[O-])CC[C@]34C)C
InChI: InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/p-1/t17-,18-,19+,20-,22+,23-/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)C4=CC=CC=C4)CSC5=NN=NN5C6=CC=CC=C6
InChI: InChI=1S/C33H31N5O4S/c1-22-29(21-43-33-35-36-37-38(33)28-13-6-3-7-14-28)41-32(42-30(22)24-17-15-23(20-39)16-18-24)26-11-8-12-27(19-26)34-31(40)25-9-4-2-5-10-25/h2-19,22,29-30,32,39H,20-21H2,1H3,(H,34,40)/t22-,29+,30+,32+/m0/s1
SMILES: C[C@@H]1CCCCN1C(=O)C2=CC3=C(C=C2)N[C@@H]([C@@H]4[C@@H]3C=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H27ClN2O/c1-16-5-2-3-14-28(16)25(29)18-10-13-23-22(15-18)20-6-4-7-21(20)24(27-23)17-8-11-19(26)12-9-17/h4,6,8-13,15-16,20-21,24,27H,2-3,5,7,14H2,1H3/t16-,20+,21+,24-/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]3C5=C(C=C(C=C5)OC)O)Cl)C)Cl
InChI: InChI=1S/C24H24Cl2N2O6/c1-4-28-19(30)14-8-7-12-15(17(14)20(28)31)10-23(25)21(32)27(2)22(33)24(23,26)18(12)13-6-5-11(34-3)9-16(13)29/h5-7,9,14-15,17-18,29H,4,8,10H2,1-3H3/t14-,15+,17-,18+,23+,24-/m0/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)C(=O)OCCCl)OCC=C
InChI: InChI=1S/C39H56ClN3O10/c1-4-20-50-39-33(43(3)38(47)49-22-17-40)25-31(42-53-34-14-8-11-21-48-34)29-23-26(12-6-9-18-44)28(13-7-10-19-45)35(36(29)39)30-24-27(15-16-32(30)52-39)51-37(46)41-5-2/h4,15-16,23-24,26,28,33-36,44-45H,1,5-14,17-22,25H2,2-3H3,(H,41,46)/t26-,28+,33-,34?,35+,36+,39+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H](C2=C)C(=O)NC3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C22H26N4O2/c1-14-19(21(27)23-15-6-10-17(11-7-15)25(2)3)20(14)22(28)24-16-8-12-18(13-9-16)26(4)5/h6-13,19-20H,1H2,2-5H3,(H,23,27)(H,24,28)/t19-,20+
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)O
InChI: InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
SMILES: C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
InChI: InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)C(CO)COCC3=CC=CC=C3)OC4CCCCO4)OC5CCCCO5
InChI: InChI=1S/C36H54O6/c1-2-3-5-14-31(41-35-15-8-10-19-39-35)17-18-32-33-22-28(30(24-37)26-38-25-27-12-6-4-7-13-27)21-29(33)23-34(32)42-36-16-9-11-20-40-36/h4,6-7,12-13,17-18,21,29-37H,2-3,5,8-11,14-16,19-20,22-26H2,1H3/b18-17+/t29-,30?,31-,32+,33-,34+,35?,36?/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)Cl)C
InChI: InChI=1S/C28H20ClNO5/c1-14-11-15(2)13-18(12-14)30-26(33)21-22(27(30)34)28(35-23(21)16-7-9-17(29)10-8-16)24(31)19-5-3-4-6-20(19)25(28)32/h3-13,21-23H,1-2H3/t21-,22-,23-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8
InChI: InChI=1S/C49H54N4O9/c1-31(2)39(45(56)60-3)50-48(59)52-37-22-14-13-21-36(37)49(47(52)58)38(44(55)51-27-15-5-4-6-16-28-51)41-46(57)62-42(33-19-11-8-12-20-33)40(32-17-9-7-10-18-32)53(41)43(49)34-23-25-35(26-24-34)61-30-29-54/h7-14,17-26,31,38-43,54H,4-6,15-16,27-30H2,1-3H3,(H,50,59)/t38-,39+,40-,41-,42+,43+,49-/m1/s1
SMILES: C/C=C(\C)/[C@H]1C([C@@H]2CC3[C@](O3)(C[C@H]2C4[C@@]1(O4)C)C)/C=C/C=C(\C)/[C@H]([C@@H](C)CO)O
InChI: InChI=1S/C25H38O4/c1-7-14(2)21-17(10-8-9-15(3)22(27)16(4)13-26)18-11-20-24(5,28-20)12-19(18)23-25(21,6)29-23/h7-10,16-23,26-27H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17?,18-,19+,20?,21-,22+,23?,24+,25+/m0/s1
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)[C@@H]3C[C@@H]3C4=CC=CC=C4)C)NC(=O)[C@H]5C[C@H]5C6=CC=CC=C6
InChI: InChI=1S/C34H32N2O2/c1-21-17-25(13-15-31(21)35-33(37)29-19-27(29)23-9-5-3-6-10-23)26-14-16-32(22(2)18-26)36-34(38)30-20-28(30)24-11-7-4-8-12-24/h3-18,27-30H,19-20H2,1-2H3,(H,35,37)(H,36,38)/t27-,28+,29-,30+
SMILES: CCCCC#C[C@@H]1[C@@H]([C@H](CC=C1S(=O)(=O)C2=CC=CC=C2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C26H30O4S/c1-2-3-4-11-16-24-25(31(28,29)23-14-9-6-10-15-23)18-17-22(26(24)27)20-30-19-21-12-7-5-8-13-21/h5-10,12-15,18,22,24,26-27H,2-4,17,19-20H2,1H3/t22-,24+,26-/m1/s1
SMILES: CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)CCOCC3=CC=C(C=C3)OC)C)O[C@H]1CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC(=O)CCC(=O)OCC=C
InChI: InChI=1S/C48H66O9Si/c1-8-10-29-47(57-45(50)26-25-44(49)53-33-9-2)31-32-48(30-27-37(3)42(55-48)28-34-52-35-38-21-23-39(51-7)24-22-38)56-43(47)36-54-58(46(4,5)6,40-17-13-11-14-18-40)41-19-15-12-16-20-41/h9,11-24,37,42-43H,2,8,10,25-36H2,1,3-7H3/t37-,42+,43-,47+,48-/m0/s1
SMILES: CC[C@H]1[C@@H](C[C@H](C[C@H]1O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)OC)O
InChI: InChI=1S/C26H36O4Si/c1-6-22-23(27)17-19(25(28)29-5)18-24(22)30-31(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24,27H,6,17-18H2,1-5H3/t19-,22+,23-,24-/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=N2)N(CC3=C(C=CC=C3Cl)F)C4=CC=CC=C4F
InChI: InChI=1S/C18H15ClF2N2O2S2/c19-12-4-3-6-13(20)11(12)8-23(16-7-2-1-5-14(16)21)18-22-15-9-27(24,25)10-17(15)26-18/h1-7,15,17H,8-10H2/t15-,17-/m1/s1
SMILES: CCC1(C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O)C)C4=C1C=C(C=C4)O)O
InChI: InChI=1S/C20H28O3/c1-3-20(23)11-15-13(14-5-4-12(21)10-17(14)20)8-9-19(2)16(15)6-7-18(19)22/h4-5,10,13,15-16,18,21-23H,3,6-9,11H2,1-2H3/t13-,15-,16+,18+,19+,20?/m1/s1
SMILES: C[C@@]12CC[C@@H]([C@@]1(C)CBr)/C(=[N+](/C)\[O-])/C2=O
InChI: InChI=1S/C11H16BrNO2/c1-10-5-4-7(11(10,2)6-12)8(9(10)14)13(3)15/h7H,4-6H2,1-3H3/b13-8+/t7-,10+,11-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)COC(=O)C3=CC=CC=C3)(C#N)NS(=O)(=O)C)O
InChI: InChI=1S/C19H20N4O8S/c1-11-8-23(18(27)21-15(11)25)16-14(24)19(10-20,22-32(2,28)29)13(31-16)9-30-17(26)12-6-4-3-5-7-12/h3-8,13-14,16,22,24H,9H2,1-2H3,(H,21,25,27)/t13-,14+,16-,19-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@]3(CCCC24[C@@H]5CC6CCC5(C1OC4N7C3OCC7)CC6=C)C
InChI: InChI=1S/C24H33NO4/c1-13-12-23-8-5-15(13)11-16(23)24-7-4-6-22(3)18(24)17(28-14(2)26)19(23)29-21(24)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15?,16-,17+,18-,19?,20?,21?,22-,23?,24?/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)N2CC[C@H]3CCCC[C@H]3C2)S(=O)(=O)N4CCOCC4
InChI: InChI=1S/C21H30N2O4S/c1-16-6-7-18(14-20(16)28(25,26)23-10-12-27-13-11-23)21(24)22-9-8-17-4-2-3-5-19(17)15-22/h6-7,14,17,19H,2-5,8-13,15H2,1H3/t17-,19+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@]([C@@]13CC[C@]4(O3)CCOC4)(CC[C@@H]([C@@]2(C)CO)O)C
InChI: InChI=1S/C20H34O4/c1-14-4-5-15-17(2,12-21)16(22)6-7-18(15,3)20(14)9-8-19(24-20)10-11-23-13-19/h14-16,21-22H,4-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20-/m1/s1
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@H](C4=CC=CC=C4)C(C5=CC=CC=C5)O)C.[Br-]
InChI: InChI=1S/C24H28NO4.BrH/c1-25(2)18-13-17(14-19(25)23-22(18)29-23)28-24(27)20(15-9-5-3-6-10-15)21(26)16-11-7-4-8-12-16;/h3-12,17-23,26H,13-14H2,1-2H3;1H/q+1;/p-1/t17?,18-,19+,20-,21?,22+,23-;/m0./s1