EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]([C@H](OC1=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O
InChI: InChI=1S/C18H15NO5/c20-15-10-14(16(24-15)11-5-2-1-3-6-11)17(21)19-13-8-4-7-12(9-13)18(22)23/h1-9,14,16H,10H2,(H,19,21)(H,22,23)/t14-,16+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H](C(C2(C)C)CC1=O)OC(=O)C)OC(=O)[C@@H](C(C4=CC=CC=C4)N(C)C)O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H49NO10/c1-19-26(42)18-25-32(45-21(3)39)29-20(2)27(48-35(44)31(43)30(38(9)10)24-14-12-11-13-15-24)16-17-37(29,8)34(47-23(5)41)33(46-22(4)40)28(19)36(25,6)7/h11-15,25,27,29-34,43H,2,16-18H2,1,3-10H3/t25?,27-,29-,30?,31+,32+,33+,34-,37+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=CC=CC4=C3OCC4
InChI: InChI=1S/C25H29NO4/c1-2-29-25(28)22-16-20(22)17-26(14-7-10-18-8-4-3-5-9-18)24(27)21-12-6-11-19-13-15-30-23(19)21/h3-6,8-9,11-12,20,22H,2,7,10,13-17H2,1H3/t20-,22+/m1/s1
SMILES: C[C@]1(CCC[C@]2([C@H]1C[C@H](C3=C2C=CC(=C3)C(C)(C)O)O)C)C=O
InChI: InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,12,16-17,22-23H,5,8-9,11H2,1-4H3/t16-,17+,19+,20-/m1/s1
SMILES: C/C(=N\OCCN(CC(=O)O)CC(=O)O)/[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/OCCN(CC(=O)O)CC(=O)O)/CC[C@]34C)C)O
InChI: InChI=1S/C33H50N4O11/c1-21(34-47-14-12-36(17-27(38)39)18-28(40)41)33(46)11-8-26-24-5-4-22-16-23(6-9-31(22,2)25(24)7-10-32(26,33)3)35-48-15-13-37(19-29(42)43)20-30(44)45/h16,24-26,46H,4-15,17-20H2,1-3H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)/b34-21+,35-23+/t24-,25+,26+,31+,32+,33+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)CNC(=O)CNC(=O)C3=CC=CS3
InChI: InChI=1S/C18H25N3O3S/c22-16(10-20-18(24)15-6-3-9-25-15)19-11-17(23)21-8-7-13-4-1-2-5-14(13)12-21/h3,6,9,13-14H,1-2,4-5,7-8,10-12H2,(H,19,22)(H,20,24)/t13-,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(=O)/C=C/CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5)C
InChI: InChI=1S/C34H40O6Si/c1-33(2,3)41(26-18-11-7-12-19-26,27-20-13-8-14-21-27)37-23-15-22-28(35)29-30(36-24-25-16-9-6-10-17-25)31-32(38-29)40-34(4,5)39-31/h6-22,29-32H,23-24H2,1-5H3/b22-15+/t29-,30+,31-,32-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@]2([C@H]1C3=CC=CC=C3)C[C@H](CO2)C4=CC=CC=C4
InChI: InChI=1S/C25H31NO3/c1-24(2,3)29-23(27)26-16-10-15-25(22(26)20-13-8-5-9-14-20)17-21(18-28-25)19-11-6-4-7-12-19/h4-9,11-14,21-22H,10,15-18H2,1-3H3/t21-,22-,25+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2=CC=CC=C2N)C3=COC4=CC=CC=C43)CCOCCOCCO
InChI: InChI=1S/C28H34N2O7/c1-2-35-28-20(11-13-33-15-16-34-14-12-31)21(22-18-36-25-10-6-3-7-19(22)25)17-26(37-28)27(32)30-24-9-5-4-8-23(24)29/h3-10,17-18,20-21,28,31H,2,11-16,29H2,1H3,(H,30,32)/t20-,21+,28-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1N([C@@]2(C(F)(F)F)C(F)(F)Cl)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C14H11ClF5NO2S/c15-13(16,17)12(14(18,19)20)9-6-7-10(8-9)21(12)24(22,23)11-4-2-1-3-5-11/h1-7,9-10H,8H2/t9-,10+,12+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C17H19N5O5/c1-26-9-4-2-8(3-5-9)15-21-11-14(18)19-7-20-16(11)22(15)17-13(25)12(24)10(6-23)27-17/h2-5,7,10,12-13,17,23-25H,6H2,1H3,(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]3(CC(=O)C[C@@H]3OC2(C)C)[C@@H]4[C@@]1(C5=CC[C@H]([C@@]5([C@H]([C@@H]4O)OC(=O)C)C)C6=COC=C6)C
InChI: InChI=1S/C30H38O8/c1-15(31)36-22-12-21-27(3,4)38-23-11-18(33)13-30(21,23)25-24(34)26(37-16(2)32)28(5)19(17-9-10-35-14-17)7-8-20(28)29(22,25)6/h8-10,14,19,21-26,34H,7,11-13H2,1-6H3/t19-,21-,22+,23-,24+,25-,26-,28-,29+,30+/m0/s1
SMILES: C1CC2CC1CC2CC(=O)N(CC34CC5CC(C3)CC(C5)C4)[C@@H]6C=C([C@H]7[C@@H]([C@H]6O)OC8=CC=CC=C78)C(=O)NCCO
InChI: InChI=1S/C35H46N2O5/c38-8-7-36-34(41)27-15-28(32(40)33-31(27)26-3-1-2-4-29(26)42-33)37(30(39)14-25-13-20-5-6-24(25)12-20)19-35-16-21-9-22(17-35)11-23(10-21)18-35/h1-4,15,20-25,28,31-33,38,40H,5-14,16-19H2,(H,36,41)/t20?,21?,22?,23?,24?,25?,28-,31+,32+,33+,35?/m1/s1
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C27H31ClN2O5/c1-2-3-8-23(32)30(16-17-9-11-18(28)12-10-17)21-15-20(27(34)29-13-14-31)24-19-6-4-5-7-22(19)35-26(24)25(21)33/h4-7,9-12,15,21,24-26,31,33H,2-3,8,13-14,16H2,1H3,(H,29,34)/t21-,24+,25+,26+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@H](OC23C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H17NO5/c26-22-17-13-7-8-14-18(17)23(27)24(22)19(15-9-3-1-4-10-15)20(25(28)29)21(30-24)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20-,21-/m1/s1
SMILES: CN1C(=O)C2=C(N[C@@H]3[C@H](N2)[C@@H]([C@@H](CO3)O)O)N=C1OC
InChI: InChI=1S/C11H16N4O5/c1-15-10(18)6-8(14-11(15)19-2)13-9-5(12-6)7(17)4(16)3-20-9/h4-5,7,9,12-13,16-17H,3H2,1-2H3/t4-,5-,7-,9+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC2=C(C=CC=N2)[N+](=O)[O-]
InChI: InChI=1S/C13H19N3O2/c1-9-5-3-6-11(10(9)2)15-13-12(16(17)18)7-4-8-14-13/h4,7-11H,3,5-6H2,1-2H3,(H,14,15)/t9-,10-,11-/m1/s1
SMILES: C[C@H](CCN=C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)C
InChI: InChI=1S/C26H39NO5/c1-17(8-11-27-14-28)20-4-5-21-24-22(7-10-26(20,21)3)25(2)9-6-19(31-15-29)12-18(25)13-23(24)32-16-30/h15-24H,4-13H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)SC
InChI: InChI=1S/C22H21N5O2S/c1-3-29-21(28)27-9-8-16-17(10-23)20(26)22(12-24,13-25)19(18(16)11-27)14-4-6-15(30-2)7-5-14/h4-8,17-19,26H,3,9,11H2,1-2H3/t17?,18-,19-/m1/s1
SMILES: CC1=C2C=C[C@]3([C@H]2[C@H](CC1)O)CCC[C@]4([C@H]3CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C
InChI: InChI=1S/C28H44O/c1-18(2)19(3)8-9-21(5)23-11-13-25-27(23,6)15-7-16-28(25)17-14-22-20(4)10-12-24(29)26(22)28/h8-9,14,17-19,21,23-26,29H,7,10-13,15-16H2,1-6H3/b9-8+/t19-,21+,23+,24-,25+,26+,27+,28+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=C(N=C32)N)C4=CC=CC=C4)CO)O)O
InChI: InChI=1S/C18H20N4O4/c1-18(25)14(24)12(9-23)26-16(18)22-8-7-11-13(10-5-3-2-4-6-10)20-17(19)21-15(11)22/h2-8,12,14,16,23-25H,9H2,1H3,(H2,19,20,21)/t12-,14-,16-,18-/m1/s1
SMILES: B([C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@H]1C)([C@@H]3C[C@@H]4[C@@H](C4(C)C)C[C@H]3C)OC(=COC5=CC=CC=C5)OB([C@@H]6C[C@@H]7[C@@H](C7(C)C)C[C@H]6C)[C@@H]8C[C@@H]9[C@@H](C9(C)C)C[C@H]8C
InChI: InChI=1S/C48H74B2O3/c1-27-18-32-36(45(32,5)6)22-40(27)49(41-23-37-33(19-28(41)2)46(37,7)8)52-44(26-51-31-16-14-13-15-17-31)53-50(42-24-38-34(20-29(42)3)47(38,9)10)43-25-39-35(21-30(43)4)48(39,11)12/h13-17,26-30,32-43H,18-25H2,1-12H3/t27-,28-,29-,30-,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-/m1/s1
SMILES: CCCC1=CN=NN1[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H46N4O6SSi2/c1-12-13-17-14-26-27-28(17)21-20(33-37(10,11)23(5,6)7)24(18(25)16-35(29,30)34-24)19(32-21)15-31-36(8,9)22(2,3)4/h14,16,19-21H,12-13,15,25H2,1-11H3/t19-,20+,21-,24?/m1/s1
SMILES: COC(=O)[C@@H]1C[C@H]2CC3=C([C@H]2N1C(=O)OC)C=CC(=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H21NO4/c1-25-20(23)18-12-16-11-15-10-14(13-6-4-3-5-7-13)8-9-17(15)19(16)22(18)21(24)26-2/h3-10,16,18-19H,11-12H2,1-2H3/t16-,18+,19+/m1/s1
SMILES: CCCC[C@]1([C@]2([C@@]1([C@@]3(N=C2N)OC[C@@H](O3)C)C#N)C#N)C
InChI: InChI=1S/C15H20N4O2/c1-4-5-6-12(3)13(8-16)11(18)19-15(14(12,13)9-17)20-7-10(2)21-15/h10H,4-7H2,1-3H3,(H2,18,19)/t10-,12-,13-,14+,15+/m0/s1
SMILES: CCN1C=NC2=C(N=C(N=C21)N[C@@H]3CCCC[C@@H]3C(=O)N)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5
InChI: InChI=1S/C25H34N8O3S/c1-2-32-16-27-21-23(30-25(31-24(21)32)29-20-9-5-4-8-19(20)22(26)34)28-17-10-12-18(13-11-17)37(35,36)33-14-6-3-7-15-33/h10-13,16,19-20H,2-9,14-15H2,1H3,(H2,26,34)(H2,28,29,30,31)/t19-,20+/m0/s1
SMILES: CCCCCCCCC[C@@H]1[C@H](O1)/C=C/[C@H]([C@H]2[C@@H]([C@H](N(C2=O)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C3=CC=CC=C3)O
InChI: InChI=1S/C38H65NO6Si2/c1-12-13-14-15-16-17-21-24-31-32(44-31)26-25-30(40)33-34(46(8,9)28-22-19-18-20-23-28)29(27-43-47(10,11)38(5,6)7)39(35(33)41)36(42)45-37(2,3)4/h18-20,22-23,25-26,29-34,40H,12-17,21,24,27H2,1-11H3/b26-25+/t29-,30-,31-,32-,33+,34-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@]45[C@@]3(C[C@@H](O4)[C@H](C5)OC(=O)C)C)C)C(C)C
InChI: InChI=1S/C31H48O4/c1-8-21(18(2)3)10-9-19(4)23-11-12-24-22-15-28(33)31-17-26(34-20(5)32)27(35-31)16-30(31,7)25(22)13-14-29(23,24)6/h15,18-19,21,23-27H,8-14,16-17H2,1-7H3/t19-,21-,23-,24+,25+,26+,27-,29-,30-,31+/m1/s1
SMILES: CCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C15H27N2O14P3/c1-2-3-4-5-6-10-8-17(15(20)16-14(10)19)13-7-11(18)12(29-13)9-28-33(24,25)31-34(26,27)30-32(21,22)23/h8,11-13,18H,2-7,9H2,1H3,(H,24,25)(H,26,27)(H,16,19,20)(H2,21,22,23)/t11-,12+,13+/m0/s1
SMILES: CO[C@]1([C@H](C[C@@H]2[C@@H](O1)CCCCO2)O)C[C@H]3[C@@H](CCCCO3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H36O6/c1-26-24(23(25)15-21-20(30-24)12-6-8-13-27-21)16-22-19(11-5-7-14-28-22)29-17-18-9-3-2-4-10-18/h2-4,9-10,19-23,25H,5-8,11-17H2,1H3/t19-,20+,21-,22+,23+,24-/m1/s1
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3CCCC[C@@H]3[C@H]2C=C)C(=O)O1
InChI: InChI=1S/C15H22O2/c1-3-11-12-7-5-4-6-10(12)8-13-14(11)9(2)17-15(13)16/h3,9-14H,1,4-8H2,2H3/t9-,10+,11+,12-,13-,14+/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)N(C)C7=C(C=CC(=N7)C(F)(F)F)Cl)O
InChI: InChI=1S/C35H30ClF3N4O5/c1-17-15-18(9-13-25(17)44)28-20-10-11-21-27(22(20)16-23-31(46)42(33(48)34(23,28)2)19-7-5-4-6-8-19)32(47)43(30(21)45)41(3)29-24(36)12-14-26(40-29)35(37,38)39/h4-10,12-15,21-23,27-28,44H,11,16H2,1-3H3/t21-,22+,23-,27-,28-,34+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H](N(C(=O)N2)C3=CC=C(C=C3)OC(F)(F)F)O
InChI: InChI=1S/C17H15F3N2O5S/c1-10-2-8-13(9-3-10)28(25,26)14-15(23)22(16(24)21-14)11-4-6-12(7-5-11)27-17(18,19)20/h2-9,14-15,23H,1H3,(H,21,24)/t14-,15+/m1/s1
SMILES: CC(C)(C)[C@@]1(C[C@@H]2[C@]3([C@]14[C@H](C(=O)O[C@H]4OC3=O)O)CC(=O)O2)O
InChI: InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8+,11+,13-,14-,15-/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)O)C(=O)N(C4=O)C5CCCCC5
InChI: InChI=1S/C23H27N3O5/c1-12-7-8-15-14(11-12)23(22(31)24-15)19-18(16(25-23)9-10-17(27)28)20(29)26(21(19)30)13-5-3-2-4-6-13/h7-8,11,13,16,18-19,25H,2-6,9-10H2,1H3,(H,24,31)(H,27,28)/t16-,18-,19+,23+/m1/s1
SMILES: CC1([C@H]2CC=C([C@@H]1C2)CCOC3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N)C
InChI: InChI=1S/C21H29N5O5/c1-21(2)11-4-3-10(12(21)7-11)5-6-30-20-24-17(22)14-18(25-20)26(9-23-14)19-16(29)15(28)13(8-27)31-19/h3,9,11-13,15-16,19,27-29H,4-8H2,1-2H3,(H2,22,24,25)/t11-,12-,13+,15+,16+,19+/m0/s1
SMILES: CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC
InChI: InChI=1S/C27H45NO3/c1-3-4-5-6-8-11-14-23-20-24(23)15-12-9-7-10-13-16-27(30)28-21-22-17-18-25(29)26(19-22)31-2/h17-19,23-24,29H,3-16,20-21H2,1-2H3,(H,28,30)/t23-,24+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)NCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)O)O
InChI: InChI=1S/C16H25NO10S/c18-7-11-12(19)14(27-28(22,23)24)13(20)16(26-11)25-4-3-17-15(21)10-6-8-1-2-9(10)5-8/h1-2,8-14,16,18-20H,3-7H2,(H,17,21)(H,22,23,24)/t8-,9+,10+,11-,12+,13-,14+,16-/m1/s1
SMILES: C=CC1=CC=C(C=C1)[C@@H]2C=C[C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H28O3/c1-2-22-13-15-25(16-14-22)26-17-18-27(30-20-24-11-7-4-8-12-24)28(31-26)21-29-19-23-9-5-3-6-10-23/h2-18,26-28H,1,19-21H2/t26-,27-,28+/m0/s1
SMILES: C[C@]12CCCC(=O)[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H28O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h12-15H,3-11H2,1-2H3/t12-,13-,14-,15+,18+,19-/m0/s1
SMILES: C[C@@]12CC[C@@H]3C(=CCC4=C3C=CC(=C4)O)[C@H]1CC[C@@H]2O
InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m0/s1
SMILES: CN(C1CN=C(NC1=O)NC(=O)N)C(=O)C[C@]2(C[C@H]2CCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C38H43N9O9/c1-47(29-21-41-34(42-31(29)49)43-32(39)50)30(48)20-38(46-37(53)56-24-27-15-9-4-10-16-27)19-28(38)17-18-40-33(44-35(51)54-22-25-11-5-2-6-12-25)45-36(52)55-23-26-13-7-3-8-14-26/h2-16,28-29H,17-24H2,1H3,(H,46,53)(H2,40,44,45,51,52)(H4,39,41,42,43,49,50)/t28-,29?,38+/m1/s1
SMILES: CC(C)(C)OC(=O)N([C@@H](CCCC[C@H]1[C@@H](O1)CO)C(=O)OC)C(=O)OC(C)(C)C
InChI: InChI=1S/C20H35NO8/c1-19(2,3)28-17(24)21(18(25)29-20(4,5)6)13(16(23)26-7)10-8-9-11-14-15(12-22)27-14/h13-15,22H,8-12H2,1-7H3/t13-,14-,15-/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CO4
InChI: InChI=1S/C23H21N3O2/c1-22(2,3)21(27)20-19(17-9-6-12-28-17)23(13-24,14-25)18-11-10-15-7-4-5-8-16(15)26(18)20/h4-12,18-20H,1-3H3/t18-,19-,20+/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C19H16ClN3O4S/c1-11-16(18(24)27-10-12-5-3-2-4-6-12)17(22-19(28)21-11)13-7-8-14(20)15(9-13)23(25)26/h2-9,16-17H,1,10H2,(H2,21,22,28)/t16-,17+/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O)C)CO)OC(=O)C=C(C)C
InChI: InChI=1S/C40H62O8/c1-12-23(4)34(46)48-32-33(47-29(43)19-22(2)3)40(21-41)25(20-35(32,5)6)24-13-14-27-37(9)17-16-28(42)36(7,8)26(37)15-18-38(27,10)39(24,11)30(44)31(40)45/h12-13,19,25-28,30-33,41-42,44-45H,14-18,20-21H2,1-11H3/b23-12-/t25-,26-,27+,28-,30-,31+,32-,33-,37-,38+,39-,40-/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)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C42H52N6O5/c1-30-38(28-47-21-23-48(24-22-47)42-44-19-8-20-45-42)52-41(53-40(30)34-16-14-32(29-49)15-17-34)37-12-7-11-36(26-37)35-10-6-9-33(25-35)27-46-39(51)13-4-3-5-18-43-31(2)50/h6-12,14-17,19-20,25-26,30,38,40-41,49H,3-5,13,18,21-24,27-29H2,1-2H3,(H,43,50)(H,46,51)/t30-,38+,40+,41+/m0/s1
SMILES: CN1[C@@H]([C@H]2C=C[C@H](C=C2[P@]1(=O)C3=CC=CC=C3)[C@@H](C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5
InChI: InChI=1S/C27H25ClNO2P/c1-29-26(19-8-4-2-5-9-19)24-17-14-21(27(30)20-12-15-22(28)16-13-20)18-25(24)32(29,31)23-10-6-3-7-11-23/h2-18,21,24,26-27,30H,1H3/t21-,24+,26-,27-,32-/m1/s1
SMILES: CCO[C@@H]1C[C@H]2C(=CC[C@H]3[C@]2([C@H](O1)C[C@@H]4[C@@]3(CC=C[C@H]4C)C)COCC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H52O4Si/c1-9-36-31-21-27-28(38-39(7,8)32(3,4)5)17-18-29-33(6)19-13-14-24(2)26(33)20-30(37-31)34(27,29)23-35-22-25-15-11-10-12-16-25/h10-17,24,26-27,29-31H,9,18-23H2,1-8H3/t24-,26+,27+,29-,30-,31+,33+,34+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CC=CC=C3)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O
InChI: InChI=1S/C18H17N7O8S3/c26-14(11(21-30)9-4-2-1-3-5-9)19-12-15(27)25-13(17(28)29)10(6-34-16(12)25)7-35-18-20-22-23-24(18)8-36(31,32)33/h1-5,12,16,30H,6-8H2,(H,19,26)(H,28,29)(H,31,32,33)/b21-11-/t12-,16-/m1/s1
SMILES: CC(C)OC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C22H25NO5S/c1-13(2)28-22(27)18-17(14-8-4-3-5-9-14)12-29-20(18)23-19(24)15-10-6-7-11-16(15)21(25)26/h3-5,8-9,12-13,15-16H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16-/m0/s1
SMILES: COC1=CC=CC(=C1O)[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)C8=CC(=CC=C8)[N+](=O)[O-]
InChI: InChI=1S/C41H32N2O8/c1-51-33-17-9-16-29(38(33)46)36-27-18-19-28-35(40(48)42(39(28)47)25-14-8-15-26(20-25)43(49)50)31(27)21-32-37(45)30(23-10-4-2-5-11-23)22-34(44)41(32,36)24-12-6-3-7-13-24/h2-18,20,22,28,31-32,35-36,46H,19,21H2,1H3/t28-,31+,32-,35-,36+,41-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)C)C
InChI: InChI=1S/C61H80O6/c1-43(2)19-18-20-44(3)52-31-32-53-51-30-29-49-37-50(33-35-60(49,4)54(51)34-36-61(52,53)5)66-59-58(65-41-48-27-16-9-17-28-48)57(64-40-47-25-14-8-15-26-47)56(63-39-46-23-12-7-13-24-46)55(67-59)42-62-38-45-21-10-6-11-22-45/h6-17,21-29,43-44,50-59H,18-20,30-42H2,1-5H3/t44-,50?,51+,52-,53+,54+,55-,56-,57+,58-,59-,60+,61-/m1/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3)C(=O)N4CCCC4)CN1C(=O)C5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C30H31N3O4/c1-37-29(36)30(18-20-10-4-2-5-11-20)26-22(19-33(30)27(34)21-12-6-3-7-13-21)16-24-23(26)17-25(31-24)28(35)32-14-8-9-15-32/h2-7,10-13,17,22,26,31H,8-9,14-16,18-19H2,1H3/t22-,26+,30+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CC=C7)Br)O
InChI: InChI=1S/C34H26BrCl2FN2O6/c1-46-25-14-18(13-24(35)28(25)41)27-21-11-12-22-26(30(43)39(29(22)42)16-17-5-3-2-4-6-17)23(21)15-33(36)31(44)40(32(45)34(27,33)37)20-9-7-19(38)8-10-20/h2-11,13-14,22-23,26-27,41H,12,15-16H2,1H3/t22-,23+,26-,27-,33+,34-/m0/s1
SMILES: CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)[C@]45CC[C@](C4(C)C)(C(=O)O5)C)OC(=O)[C@]67CC[C@](C6(C)C)(C(=O)O7)C)(C)C
InChI: InChI=1S/C36H42O11/c1-10-18-17-20(37)19-11-12-21-22(23(19)42-18)24(43-28(40)35-15-13-33(8,26(38)46-35)31(35,4)5)25(30(2,3)45-21)44-29(41)36-16-14-34(9,27(39)47-36)32(36,6)7/h11-12,17,24-25H,10,13-16H2,1-9H3/t24-,25-,33+,34+,35-,36-/m1/s1
SMILES: C[C@H]1[C@H](C[C@@H]2C[C@@H](NC3=NC[C@H]1N23)CC4=CC(=O)NC(=O)N4)OS(=O)(=O)O
InChI: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C18H25N3O3/c1-13-6-7-16(21(23)24)10-17(13)19-18(22)12-20-9-8-14-4-2-3-5-15(14)11-20/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3,(H,19,22)/p+1/t14-,15+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]3[C@H]([C@@H](O2)O)OC(O3)(C)C)C
InChI: InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3/t6-,7-,8-,9-,10-/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI: InChI=1S/C17H18ClF3N2O4/c1-9-5-11(9)16(26)27-8-15(25)23(2)7-14(24)22-10-3-4-13(18)12(6-10)17(19,20)21/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,22,24)/t9-,11+/m0/s1
SMILES: C[C@H]1CN([C@H]2[C@@H]1C=CCC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C16H21NO2S/c1-12-7-9-14(10-8-12)20(18,19)17-11-13(2)15-5-3-4-6-16(15)17/h3,5,7-10,13,15-16H,4,6,11H2,1-2H3/t13-,15+,16+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C(=CC=C4)F)[N+](=O)[O-]
InChI: InChI=1S/C19H17FN2O3/c1-25-17-9-8-11(10-16(17)22(23)24)18-13-5-2-4-12(13)14-6-3-7-15(20)19(14)21-18/h2-4,6-10,12-13,18,21H,5H2,1H3/t12-,13-,18-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCNC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40N2O11/c1-18(31)30-24-26(40-21(4)34)25(39-20(3)33)23(17-37-19(2)32)41-27(24)36-15-11-6-5-10-14-29-28(35)38-16-22-12-8-7-9-13-22/h7-9,12-13,23-27H,5-6,10-11,14-17H2,1-4H3,(H,29,35)(H,30,31)/t23-,24-,25-,26-,27-/m1/s1
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C
InChI: InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3
InChI: InChI=1S/C20H31N3O/c1-17-7-5-6-10-19(17)21-20(24)16-23-13-11-22(12-14-23)15-18-8-3-2-4-9-18/h2-4,8-9,17,19H,5-7,10-16H2,1H3,(H,21,24)/p+2/t17-,19-/m1/s1
SMILES: CC(=O)CCCC(=O)N([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C4CCCC4
InChI: InChI=1S/C26H34N2O6/c1-16(30)7-6-12-22(31)28(17-8-2-3-9-17)20-15-19(26(33)27-13-14-29)23-18-10-4-5-11-21(18)34-25(23)24(20)32/h4-5,10-11,15,17,20,23-25,29,32H,2-3,6-9,12-14H2,1H3,(H,27,33)/t20-,23+,24+,25+/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H](C(=C)NC3=NC=NN23)C(=O)NC4=CC=CC=C4)OC
InChI: InChI=1S/C21H21N5O3/c1-13-18(20(27)25-14-7-5-4-6-8-14)19(26-21(24-13)22-12-23-26)16-10-9-15(28-2)11-17(16)29-3/h4-12,18-19H,1H2,2-3H3,(H,25,27)(H,22,23,24)/t18-,19-/m0/s1
SMILES: C[C@@]12[C@@H]([C@H]3[C@@]1(C(=O)NC(=O)N3CCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC)C)N(C(=O)NC2=O)CCC(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)OC
InChI: InChI=1S/C40H44N8O10/c1-39-31(47(37(55)45-35(39)53)15-13-29(49)43-27(33(51)57-3)17-21-19-41-25-11-7-5-9-23(21)25)32-40(39,2)36(54)46-38(56)48(32)16-14-30(50)44-28(34(52)58-4)18-22-20-42-26-12-8-6-10-24(22)26/h5-12,19-20,27-28,31-32,41-42H,13-18H2,1-4H3,(H,43,49)(H,44,50)(H,45,53,55)(H,46,54,56)/t27-,28-,31-,32+,39+,40-/m0/s1
SMILES: C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C19H24N4O3/c1-13(22-11-10-14-4-2-3-5-16(14)12-22)18-20-21-19(26-18)15-6-8-17(9-7-15)23(24)25/h6-9,13-14,16H,2-5,10-12H2,1H3/p+1/t13-,14+,16-/m1/s1
SMILES: CC(C)CN(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)N=O
InChI: InChI=1S/C11H20N2O8/c1-5(2)3-13(12-19)4-20-11-8(16)6(14)7(15)9(21-11)10(17)18/h5-9,11,14-16H,3-4H2,1-2H3,(H,17,18)/t6-,7-,8+,9-,11+/m0/s1
SMILES: C=CCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC=C)OCC=C)OCC=C)OCC=C
InChI: InChI=1S/C21H32O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5/h6-10,17-21H,1-5,11-16H2/t17-,18-,19+,20-,21+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H22FN3O3/c1-12-5-3-4-6-15(12)21-19(25)18-16(26-2)11-17(24)23(22-18)14-9-7-13(20)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,21,25)/t12-,15+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@@]4(C(=C([C@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+
SMILES: CN1CC[C@]2([C@@H]1NC3=CC=CC=C32)C4=C5C(=CC=C4)[C@]6(CCN([C@H]6N5)C)C78CCN([C@@H]7NC9=C(C=CC=C89)[C@]12CCN([C@H]1NC1=CC=CC=C21)C)C
InChI: InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3/t37-,38-,39-,40+,41-,42-,43+,44?/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC
InChI: InChI=1S/C19H24N2O3/c1-14-5-3-4-6-16(14)21-19(22)10-8-15-7-9-17(24-12-11-20)18(13-15)23-2/h7-10,13-14,16H,3-6,12H2,1-2H3,(H,21,22)/b10-8+/t14-,16-/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CN(C(=O)O5)CC6=C(C=C(C=C6)OC)OC)C)O
InChI: InChI=1S/C30H39NO5/c1-28-12-9-21(32)15-20(28)6-8-23-24(28)10-13-29(2)25(23)11-14-30(29)18-31(27(33)36-30)17-19-5-7-22(34-3)16-26(19)35-4/h5-8,16,21,24-25,32H,9-15,17-18H2,1-4H3/t21-,24-,25-,28-,29-,30+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)Br)O
InChI: InChI=1S/C35H22BrCl2F7N2O6/c1-53-24-9-14(8-23(36)27(24)48)26-20-6-7-21-25(29(50)46(28(21)49)19-11-15(34(40,41)42)10-16(12-19)35(43,44)45)22(20)13-32(37)30(51)47(31(52)33(26,32)38)18-4-2-17(39)3-5-18/h2-6,8-12,21-22,25-26,48H,7,13H2,1H3/t21-,22+,25-,26-,32+,33-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)COS(=O)(=O)O)C
InChI: InChI=1S/C12H20O9S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H,13,14,15)/t6-,7+,8+,9-,10-/m1/s1
SMILES: COC1=C[C@@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
InChI: InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C(=O)C3(CCCCC3)NC2=O
InChI: InChI=1S/C18H28N4O4/c1-12-7-3-4-8-13(12)19-16(25)20-14(23)11-22-15(24)18(21-17(22)26)9-5-2-6-10-18/h12-13H,2-11H2,1H3,(H,21,26)(H2,19,20,23,25)/t12-,13-/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=C4CNS(=O)(=O)C5=CC=CC=C5)CN6CCCCCCC6
InChI: InChI=1S/C39H46N2O5S/c1-29-37(27-41-24-10-3-2-4-11-25-41)45-39(46-38(29)32-18-16-30(28-42)17-19-32)33-22-20-31(21-23-33)36-15-9-8-12-34(36)26-40-47(43,44)35-13-6-5-7-14-35/h5-9,12-23,29,37-40,42H,2-4,10-11,24-28H2,1H3/t29-,37+,38+,39+/m1/s1
SMILES: CCCCCC(C)(/C=C/C1[C@@H](C[C@@H]([C@@H]1CC=C=CCCC(=O)OC)O)O)O
InChI: InChI=1S/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h7-8,13,15,17-20,23-24,26H,4-5,9-12,14,16H2,1-3H3/b15-13+/t6?,17-,18?,19+,20-,22?/m1/s1
SMILES: CCCN(CCC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)NC)NC(=O)C
InChI: InChI=1S/C16H27N3O5/c1-5-7-19(8-6-2)15(21)14-13(18-10(3)20)11(17-4)9-12(24-14)16(22)23/h9,11,13-14,17H,5-8H2,1-4H3,(H,18,20)(H,22,23)/t11-,13+,14+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32
InChI: InChI=1S/C19H22N2O4/c1-12-6-2-4-8-15(12)20-18(23)11-25-19(24)14-10-17(22)21-16-9-5-3-7-13(14)16/h3,5,7,9-10,12,15H,2,4,6,8,11H2,1H3,(H,20,23)(H,21,22)/t12-,15+/m0/s1