EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCOC1=C(C=C(C=C1)[C@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC
InChI: InChI=1S/C27H31N5O4/c1-6-11-35-21-8-7-17(12-22(21)34-5)23-20-14-32(25(33)36-26(2,3)4)10-9-18(20)19(13-28)24(31)27(23,15-29)16-30/h7-9,12,20,23H,6,10-11,14,31H2,1-5H3/t20-,23-/m0/s1
SMILES: CCCC(=O)O[C@@H]/1[C@H]([C@@H]([C@]2(C=C[C@H]([C@]([C@@H]2[C@@H]([C@@]34[C@H](/C=C1/C)OC(=O)[C@@]3(O4)C)OC(=O)C)(C)O)OC(=O)C)C)O)O
InChI: InChI=1S/C28H38O12/c1-8-9-18(31)39-20-13(2)12-17-28(27(7,40-28)24(34)38-17)23(37-15(4)30)21-25(5,22(33)19(20)32)11-10-16(26(21,6)35)36-14(3)29/h10-12,16-17,19-23,32-33,35H,8-9H2,1-7H3/b13-12-/t16-,17+,19-,20+,21-,22+,23+,25+,26+,27+,28+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C30H31NO10/c1-34-21-6-14(7-22(35-2)28(21)32)25-16-10-19-20(41-13-40-19)11-17(16)27(18-12-39-30(33)26(18)25)31-15-8-23(36-3)29(38-5)24(9-15)37-4/h6-11,18,25-27,31-32H,12-13H2,1-5H3/t18-,25+,26-,27+/m0/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@]4([C@@]3([C@H](C[C@@H](C4)O)O)C)O)C
InChI: InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,26-,27+,28-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)F)C4=CC=CC=C4
InChI: InChI=1S/C18H16FN/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2/t14-,15-,18-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)OC
InChI: InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13-,15-,18-,19-/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(=C4)CN)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C37H41ClN2O4/c1-25-34(23-40-19-17-37(42,18-20-40)32-13-15-33(38)16-14-32)43-36(44-35(25)29-7-5-26(24-41)6-8-29)30-11-9-28(10-12-30)31-4-2-3-27(21-31)22-39/h2-16,21,25,34-36,41-42H,17-20,22-24,39H2,1H3/t25-,34+,35+,36+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/N4N=CN=N4)/C)[C@H](C)O
InChI: InChI=1S/C24H33N7O7/c1-13(8-19-23(34)22(33)16(11-37-19)10-20-24(38-20)14(2)15(3)32)9-21(30-26-12-25-29-30)28-27-17-4-6-18(7-5-17)31(35)36/h4-7,9,12,14-16,19-20,22-24,27,32-34H,8,10-11H2,1-3H3/b13-9+,28-21-/t14-,15-,16-,19-,20-,22+,23-,24-/m0/s1
SMILES: CCC1=CC=CC=C1N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)OC(C)C
InChI: InChI=1S/C20H23NO4/c1-4-13-7-5-6-8-14(13)21-11-20-10-9-15(25-20)16(17(20)18(21)22)19(23)24-12(2)3/h5-10,12,15-17H,4,11H2,1-3H3/t15-,16+,17-,20-/m1/s1
SMILES: CC1(OC[C@@]2(O1)CC[C@@]3(C[C@H]2[C@@H]([C@H]3CCCO[Si](C)(C)C(C)(C)C)O)COCOC)C
InChI: InChI=1S/C24H46O6Si/c1-21(2,3)31(7,8)29-13-9-10-18-20(25)19-14-23(18,15-27-17-26-6)11-12-24(19)16-28-22(4,5)30-24/h18-20,25H,9-17H2,1-8H3/t18-,19+,20-,23-,24+/m1/s1
SMILES: CC(C)[C@H]1[C@H]([NH2+][C@@H](C[C@@]1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H29NO/c1-21(2)26-27(24-16-10-5-11-17-24)29-25(23-14-8-4-9-15-23)20-28(26,30)19-18-22-12-6-3-7-13-22/h3-17,21,25-27,29-30H,20H2,1-2H3/p+1/t25-,26-,27+,28+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN(C)CC(=O)NC2=C(C(=C(C=C2)F)F)F
InChI: InChI=1S/C19H26F3N3O2/c1-11-5-4-6-14(12(11)2)23-16(26)9-25(3)10-17(27)24-15-8-7-13(20)18(21)19(15)22/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,23,26)(H,24,27)/t11-,12+,14-/m0/s1
SMILES: CC(=O)C[C@@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)CC/C=C/CCl
InChI: InChI=1S/C15H23ClO4/c1-10(17)9-11-12(7-5-4-6-8-16)18-14-13(11)19-15(2,3)20-14/h4,6,11-14H,5,7-9H2,1-3H3/b6-4+/t11-,12-,13-,14-/m1/s1
SMILES: C[C@]12CCC3(C[C@]14[C@@H](O4)CC[C@@H]2O[Si](C)(C)C(C)(C)C)OCCO3
InChI: InChI=1S/C19H34O4Si/c1-16(2,3)24(5,6)23-14-7-8-15-19(22-15)13-18(20-11-12-21-18)10-9-17(14,19)4/h14-15H,7-13H2,1-6H3/t14-,15-,17+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=C(C=C6)O)Cl)C(=O)N(C5=O)C7=CC=C(C=C7)N8CCOCC8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C43H37Cl3N4O7/c1-56-28-10-2-23(3-11-28)43-33(40(53)50(42(43)55)47-36-15-4-24(44)20-35(36)46)22-32-29(38(43)30-12-9-27(51)21-34(30)45)13-14-31-37(32)41(54)49(39(31)52)26-7-5-25(6-8-26)48-16-18-57-19-17-48/h2-13,15,20-21,31-33,37-38,47,51H,14,16-19,22H2,1H3/t31-,32+,33-,37-,38+,43+/m0/s1
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H21ClN2O3/c1-11(16(22)20-10-12-6-2-5-9-15(12)19)21-17(23)13-7-3-4-8-14(13)18(21)24/h2,5-6,9,11,13-14H,3-4,7-8,10H2,1H3,(H,20,22)/t11-,13-,14+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=S)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC=CO3
InChI: InChI=1S/C18H20N4O4S2/c23-15(13-7-3-9-25-13)21-17(27)19-11-5-1-2-6-12(11)20-18(28)22-16(24)14-8-4-10-26-14/h3-4,7-12H,1-2,5-6H2,(H2,19,21,23,27)(H2,20,22,24,28)/t11-,12-/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)N1[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O
InChI: InChI=1S/C20H25NO2Si/c1-15-18(22)19(23)21(15)24(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18,22H,1-4H3/t15-,18-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1C[C@H](C3C2CC[C@]4(C3CC[C@]4(C)O)C)CCCCCCCSC5=CC=CC=C5
InChI: InChI=1S/C33H48O2S/c1-31-18-15-26(34)23-25(31)22-24(12-8-5-4-6-11-21-36-27-13-9-7-10-14-27)30-28(31)16-19-32(2)29(30)17-20-33(32,3)35/h7,9-10,13-14,23-24,28-30,35H,4-6,8,11-12,15-22H2,1-3H3/t24-,28?,29?,30?,31+,32+,33+/m1/s1
SMILES: CCN(CC1=CC=C(C=C1)N(C)C)CC(=O)N[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C20H33N3O/c1-5-23(14-17-10-12-18(13-11-17)22(3)4)15-20(24)21-19-9-7-6-8-16(19)2/h10-13,16,19H,5-9,14-15H2,1-4H3,(H,21,24)/t16-,19+/m0/s1
SMILES: C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)C2CSC(N2C=O)(C)C)O
InChI: InChI=1S/C16H28N2O7S2/c1-7(20)9(13-11(22)10(21)12(23)15(25-13)26-4)17-14(24)8-5-27-16(2,3)18(8)6-19/h6-13,15,20-23H,5H2,1-4H3,(H,17,24)/t7-,8?,9-,10+,11-,12-,13-,15-/m1/s1
SMILES: COC1=NN=C(C=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C14H13N3O3/c1-20-10-5-4-9(15-16-10)17-13(18)11-7-2-3-8(6-7)12(11)14(17)19/h2-5,7-8,11-12H,6H2,1H3/t7-,8+,11-,12+
SMILES: CC(=O)C1=CN2[C@@H](C=C1)[C@]([C@H]([C@@H]2C(=O)N)C3=CC=CC=C3)(C#N)C(=O)OC
InChI: InChI=1S/C20H19N3O4/c1-12(24)14-8-9-15-20(11-21,19(26)27-2)16(13-6-4-3-5-7-13)17(18(22)25)23(15)10-14/h3-10,15-17H,1-2H3,(H2,22,25)/t15-,16-,17+,20-/m0/s1
SMILES: CC(C)(CC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C=C)CC(=O)O
InChI: InChI=1S/C17H28N2O3/c1-4-12-11-19-6-5-13(12)7-14(19)10-18-15(20)8-17(2,3)9-16(21)22/h4,12-14H,1,5-11H2,2-3H3,(H,18,20)(H,21,22)/t12-,13-,14+/m0/s1
SMILES: C[C@@H]1CCC=C2[C@]1([C@H]([C@H]3[C@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=CC=CC(=C5)C)O)C
InChI: InChI=1S/C26H36N2O3/c1-17-6-4-9-20(14-17)28-12-10-27(11-13-28)16-21-23-22(31-25(21)30)15-19-8-5-7-18(2)26(19,3)24(23)29/h4,6,8-9,14,18,21-24,29H,5,7,10-13,15-16H2,1-3H3/t18-,21+,22+,23-,24+,26+/m1/s1
SMILES: CC(C)(CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)CN(C)C
InChI: InChI=1S/C18H31N3O3/c1-18(2,12-20(3)4)11-19-15(22)9-10-21-16(23)13-7-5-6-8-14(13)17(21)24/h13-14H,5-12H2,1-4H3,(H,19,22)/t13-,14-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N(C)C
InChI: InChI=1S/C16H25N3O3S2/c1-12-6-4-5-7-14(12)18-15(20)11-23-16-9-8-13(10-17-16)24(21,22)19(2)3/h8-10,12,14H,4-7,11H2,1-3H3,(H,18,20)/t12-,14+/m0/s1
SMILES: C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)N)CO.C(=O)(N)NO
InChI: InChI=1S/C10H12FN5O2.CH4N2O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16;2-1(4)3-5/h3-6,10,17H,1-2H2,(H2,12,13,14);5H,(H3,2,3,4)/t5-,6-,10+;/m0./s1
SMILES: CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)C3(C)C
InChI: InChI=1S/C33H55N5O7S/c1-18(2)23(17-46(44,45)32(3,4)5)36-31(43)37-25(20-11-9-8-10-12-20)30(42)38-16-21-24(33(21,6)7)26(38)29(41)35-22(15-19-13-14-19)27(39)28(34)40/h18-26H,8-17H2,1-7H3,(H2,34,40)(H,35,41)(H2,36,37,43)/t21-,22?,23+,24-,25-,26-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N[C@H]2CCCC[C@@H]2OC(=O)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C24H35NO4/c1-16(2)19-14-13-17(3)15-22(19)29-24(27)25-20-11-7-8-12-21(20)28-23(26)18-9-5-4-6-10-18/h4-6,9-10,16-17,19-22H,7-8,11-15H2,1-3H3,(H,25,27)/t17-,19+,20+,21+,22-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)O[C@H](O1)C6=CC=CC=C6
InChI: InChI=1S/C35H36O6/c36-30-33(38-22-26-15-7-2-8-16-26)31(37-21-25-13-5-1-6-14-25)29-24-40-35(28-19-11-4-12-20-28)41-32(29)34(30)39-23-27-17-9-3-10-18-27/h1-20,29-36H,21-24H2/t29-,30-,31-,32+,33-,34+,35+/m1/s1
SMILES: C[NH+](C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C3=CC(=CC=C3)OC
InChI: InChI=1S/C22H31N3O4/c1-24(2)19(15-7-6-8-16(13-15)29-3)14-23-20(26)11-12-25-21(27)17-9-4-5-10-18(17)22(25)28/h6-8,13,17-19H,4-5,9-12,14H2,1-3H3,(H,23,26)/p+1/t17-,18-,19+/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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C(=O)N)O
InChI: InChI=1S/C35H30ClN3O8/c1-46-20-14-25(40)28(26(15-20)47-2)29-21-11-12-22-27(32(43)39(30(22)41)34(37)45)23(21)16-24-31(42)38(19-10-6-9-18(36)13-19)33(44)35(24,29)17-7-4-3-5-8-17/h3-11,13-15,22-24,27,29,40H,12,16H2,1-2H3,(H2,37,45)/t22-,23+,24-,27-,29+,35+/m0/s1
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN5C=NC(=C5Cl)Cl
InChI: InChI=1S/C32H34Cl2N4O4/c1-3-35-32(40)36-16-22-5-4-6-26(15-22)23-11-13-25(14-12-23)31-41-27(17-38-19-37-29(33)30(38)34)20(2)28(42-31)24-9-7-21(18-39)8-10-24/h4-15,19-20,27-28,31,39H,3,16-18H2,1-2H3,(H2,35,36,40)/t20-,27+,28+,31+/m0/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCC(=O)NCCO)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)C=COCCO
InChI: InChI=1S/C36H38N2O9/c39-19-18-37-32(41)15-17-38-34(42)27-23-30(45-35(43)26-13-11-25(12-14-26)16-21-44-22-20-40)33-31(24-27)46-36(47-33,28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-14,16,21,24,30-31,33,39-40H,15,17-20,22-23H2,(H,37,41)(H,38,42)/t30-,31-,33+/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)C4=CC=CC=C4CN)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C36H40N4O5/c1-25-34(23-38-18-20-39(21-19-38)31-14-16-32(17-15-31)40(42)43)44-36(45-35(25)28-8-6-26(24-41)7-9-28)29-12-10-27(11-13-29)33-5-3-2-4-30(33)22-37/h2-17,25,34-36,41H,18-24,37H2,1H3/t25-,34+,35+,36+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]4CCC(CC4CC[C@H]3C1=CC[C@@H]2/C(=C/C(C5OCCO5)O)/CO)OCC6=CC=CC=C6
InChI: InChI=1S/C32H44O5/c1-32-14-13-26-25-10-8-24(37-20-21-5-3-2-4-6-21)17-22(25)7-9-27(26)29(32)12-11-28(32)23(19-33)18-30(34)31-35-15-16-36-31/h2-6,12,18,22,24-28,30-31,33-34H,7-11,13-17,19-20H2,1H3/b23-18+/t22?,24?,25-,26+,27+,28+,30?,32+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H25N3O6/c1-12(24-19(27)16-5-3-4-6-17(16)20(24)28)21(29)30-11-18(26)23-15-9-7-14(8-10-15)22-13(2)25/h7-10,12,16-17H,3-6,11H2,1-2H3,(H,22,25)(H,23,26)/t12-,16-,17+/m0/s1
SMILES: CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)CN1C(=O)[C@@]2(CCCC[C@@H]2C)NC1=O
InChI: InChI=1S/C18H29N3O5/c1-5-11(2)14(15(23)26-4)19-13(22)10-21-16(24)18(20-17(21)25)9-7-6-8-12(18)3/h11-12,14H,5-10H2,1-4H3,(H,19,22)(H,20,25)/t11-,12+,14+,18+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C43H56N2O9/c1-5-19-45(42(48)30-15-17-37-38(25-30)51-28-50-37)39-27-35(44-53-8-4)33-24-29(13-9-11-20-46)32(14-10-12-21-47)40-34-26-31(49-22-6-2)16-18-36(34)54-43(39,41(33)40)52-23-7-3/h6-7,15-18,24-26,29,32,39-41,46-47H,2-3,5,8-14,19-23,27-28H2,1,4H3/t29-,32+,39-,40+,41+,43+/m0/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@H]1[C@H]([C@H](CC[C@@]2(C)O[Si](C)(C)C)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H44O4Si2/c1-14-17(24-27(9,10)20(2,3)4)13-15-18(14)19(23)16(22)11-12-21(15,5)25-26(6,7)8/h14-19,22-23H,11-13H2,1-10H3/t14-,15-,16+,17+,18+,19+,21-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H](CCOCC1=CC=CC=C1)C[C@@]2([C@H](O2)CO)C
InChI: InChI=1S/C24H42O4Si/c1-18(2)29(19(3)4,20(5)6)28-22(15-24(7)23(16-25)27-24)13-14-26-17-21-11-9-8-10-12-21/h8-12,18-20,22-23,25H,13-17H2,1-7H3/t22-,23-,24-/m1/s1
SMILES: C1[C@@H]([C@@H]1N(CC2=CC=CC=C2)C(=O)C3=CC=NC4=CC=CC=C34)C5=CC=CC=C5
InChI: InChI=1S/C26H22N2O/c29-26(22-15-16-27-24-14-8-7-13-21(22)24)28(18-19-9-3-1-4-10-19)25-17-23(25)20-11-5-2-6-12-20/h1-16,23,25H,17-18H2/t23-,25-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@](C2CC[C@@](C)(C=C)O)(C)O)(C)C
InChI: InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16?,18+,19-,20+/m0/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C(=CC[C@@]3([C@]2(C(=O)N(C3=O)C4=CC=C(C=C4)F)Cl)Cl)C=C)O
InChI: InChI=1S/C25H20Cl2FNO4/c1-3-16-12-13-24(26)22(31)29(18-8-6-17(28)7-9-18)23(32)25(24,27)19(16)10-4-15-5-11-20(30)21(14-15)33-2/h3-12,14,19,30H,1,13H2,2H3/t19-,24+,25-/m0/s1
SMILES: CCCCC[C@H]1CCN2[C@H]([C@H]3CC=C[C@H]3C4=CC(=CC1=C42)C(=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C27H30N2O4/c1-2-3-4-7-17-12-13-28-25(18-8-5-9-20(14-18)29(32)33)22-11-6-10-21(22)24-16-19(27(30)31)15-23(17)26(24)28/h5-6,8-10,14-17,21-22,25H,2-4,7,11-13H2,1H3,(H,30,31)/p-1/t17-,21+,22-,25-/m0/s1
SMILES: C[C@]1(C[C@H]([C@]23CC(=O)C[C@@]2(C1)O3)C4=CC=CC=C4)OC
InChI: InChI=1S/C17H20O3/c1-15(19-2)10-14(12-6-4-3-5-7-12)17-9-13(18)8-16(17,11-15)20-17/h3-7,14H,8-11H2,1-2H3/t14-,15+,16-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCCC4=O)C
InChI: InChI=1S/C19H24O3/c1-18-8-3-4-14(20)13(18)10-15(21)17-11-5-6-16(22)19(11,2)9-7-12(17)18/h10-12,17H,3-9H2,1-2H3/t11-,12-,17-,18+,19-/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC4=CC=CC=C43)C(=O)O
InChI: InChI=1S/C24H23NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-2,5-8,11-15,20-21H,3-4,9-10H2,(H,25,26)(H,27,28)/t20-,21+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4
InChI: InChI=1S/C18H24N4O2/c23-17-15-3-1-2-4-16(15)18(24)22(17)13-20-9-11-21(12-10-20)14-5-7-19-8-6-14/h5-8,15-16H,1-4,9-13H2/p+2/t15-,16-/m0/s1
SMILES: CCCCCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CN3CCCCC3)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC(O2)(C)C
InChI: InChI=1S/C31H49N3O8/c1-4-5-6-7-8-9-10-14-21-38-23-31-28(41-30(2,3)42-31)27(26(40-31)22-33-19-12-11-13-20-33)39-29(35)32-24-15-17-25(18-16-24)34(36)37/h15-18,26-28H,4-14,19-23H2,1-3H3,(H,32,35)/t26-,27+,28-,31-/m0/s1
SMILES: C[C@@H]\1[C@H]2[C@@H](/C1=C\CCCC(=O)O)CC[C@H]([C@@H]2C#C[C@H](C3CCCCC3)O)O
InChI: InChI=1S/C23H34O4/c1-15-17(9-5-6-10-22(26)27)18-11-14-21(25)19(23(15)18)12-13-20(24)16-7-3-2-4-8-16/h9,15-16,18-21,23-25H,2-8,10-11,14H2,1H3,(H,26,27)/b17-9-/t15-,18+,19-,20+,21+,23-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C)C)C(C)C
InChI: InChI=1S/C21H30N4O2S/c1-13(2)17-8-6-15(4)11-19(17)27-20(26)12-28-21-22-23-24-25(21)18-9-7-14(3)10-16(18)5/h7,9-10,13,15,17,19H,6,8,11-12H2,1-5H3/t15-,17+,19-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15+,16+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](CC(=O)O2)[C@H](C(=O)[C@@H](C[C@@]3([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OCC(CO3)OC4=CC=NC5=CC=CC=C54)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C43H62N2O11/c1-11-34-43(8)30(19-35(46)56-43)25(4)36(47)23(2)20-42(7)39(55-41-37(48)32(45(9)10)18-24(3)52-41)26(5)38(27(6)40(49)54-34)50-21-28(22-51-42)53-33-16-17-44-31-15-13-12-14-29(31)33/h12-17,23-28,30,32,34,37-39,41,48H,11,18-22H2,1-10H3/t23-,24-,25-,26+,27-,28?,30+,32+,34-,37-,38+,39-,41+,42-,43+/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC
InChI: InChI=1S/C21H19N3O6/c1-28-13-10-8-12(9-11-13)24-18-16(17(22-24)21(27)30-3)19(25)23(20(18)26)14-6-4-5-7-15(14)29-2/h4-11,16,18H,1-3H3/t16-,18+/m0/s1
SMILES: CC1(O[C@H]2[C@H](NS(=O)(=O)N([C@@H]([C@@H]2O1)COC3=CC=CC=C3)CC4=CC=CC=C4)COC5=CC=CC=C5)C
InChI: InChI=1S/C28H32N2O6S/c1-28(2)35-26-24(19-33-22-14-8-4-9-15-22)29-37(31,32)30(18-21-12-6-3-7-13-21)25(27(26)36-28)20-34-23-16-10-5-11-17-23/h3-17,24-27,29H,18-20H2,1-2H3/t24-,25-,26+,27+/m1/s1
SMILES: CC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C24H31N3O2/c1-17(2)26(24(29)22-14-21(22)18-8-5-4-6-9-18)16-23(28)27(19-11-12-19)15-20-10-7-13-25(20)3/h4-10,13,17,19,21-22H,11-12,14-16H2,1-3H3/t21-,22+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CCCN4[C@@H]([C@H]3C2=O)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H21FN2O4/c1-30-16-10-8-15(9-11-16)26-22(28)18-17-3-2-12-25(17)20(19(18)23(26)29)21(27)13-4-6-14(24)7-5-13/h4-11,17-20H,2-3,12H2,1H3/t17-,18+,19+,20+/m1/s1
SMILES: COC(=O)C1=CN=C(C=C1)[C@H]2C[C@@H]([C@@H](CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C26H23NO7/c1-31-24(28)19-12-13-20(27-15-19)21-14-22(33-25(29)17-8-4-2-5-9-17)23(16-32-21)34-26(30)18-10-6-3-7-11-18/h2-13,15,21-23H,14,16H2,1H3/t21-,22+,23-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@](O1)(C(C=C)C2=CC=CC=C2)N3C=CC(=O)NC3=O)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H47BrN2O5Si2/c1-12-22(21-16-14-13-15-17-21)30(33-19-18-24(34)32-27(33)35)26(31)25(38-40(10,11)29(5,6)7)23(37-30)20-36-39(8,9)28(2,3)4/h12-19,22-23,25-26H,1,20H2,2-11H3,(H,32,34,35)/t22?,23-,25-,26+,30-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)[C@@H](CO)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H22O6/c1-16(2)21-14-13(19-9-10-6-4-3-5-7-10)12(11(18)8-17)20-15(14)22-16/h3-7,11-15,17-18H,8-9H2,1-2H3/t11-,12-,13-,14+,15+/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=C(C=CC(=C7)OC(F)(F)F)O)C8=CC=CC=C8)C9=CC=CC=C9)OC)OC
InChI: InChI=1S/C46H38F3N5O9/c1-51-35-24-38(62-3)37(61-2)23-33(35)50-32(42(51)58)17-18-52-43(59)53-19-16-28-34(54(53)44(52)60)22-31-41(57)29(25-10-6-4-7-11-25)21-39(56)45(31,26-12-8-5-9-13-26)40(28)30-20-27(14-15-36(30)55)63-46(47,48)49/h4-16,20-21,23-24,31,34,40,55H,17-19,22H2,1-3H3/t31-,34+,40+,45-/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)OC(=O)C
InChI: InChI=1S/C25H30O6/c1-15(26)30-14-22(29)25(31-16(2)27)12-9-21-19-6-5-17-13-18(28)7-10-23(17,3)20(19)8-11-24(21,25)4/h7-8,10,13,19,21H,5-6,9,11-12,14H2,1-4H3/t19-,21-,23+,24+,25+/m1/s1
SMILES: CC1(O[C@H]2C=C[C@@H]([C@@H]([C@H]2O1)SC3=CC=CC=C3)C(=O)OC)C
InChI: InChI=1S/C17H20O4S/c1-17(2)20-13-10-9-12(16(18)19-3)15(14(13)21-17)22-11-7-5-4-6-8-11/h4-10,12-15H,1-3H3/t12-,13-,14-,15-/m0/s1
SMILES: COC1=CC2=C(C=C1)OC[C@@H]([C@](S2)(CCCN3CCN(CC3)C4=CC=CC=C4O)C(=O)OC)O
InChI: InChI=1S/C25H32N2O6S/c1-31-18-8-9-21-22(16-18)34-25(24(30)32-2,23(29)17-33-21)10-5-11-26-12-14-27(15-13-26)19-6-3-4-7-20(19)28/h3-4,6-9,16,23,28-29H,5,10-15,17H2,1-2H3/t23-,25+/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C28H42O/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/h7-10,17-20,23-26H,11-16H2,1-6H3/b8-7+/t19-,20+,23-,24+,25-,26-,27-,28+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)Cl)OC(=O)C
InChI: InChI=1S/C14H17ClO10/c1-5(16)21-9-10(22-6(2)17)12(23-7(3)18)14(24-8(4)19)25-11(9)13(15)20/h9-12,14H,1-4H3/t9-,10-,11-,12+,14+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N(CCCOC)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CC=C7)C)O
InChI: InChI=1S/C42H54N2O5/c1-29(30-12-7-5-8-13-30)43-37(47)44(24-11-25-49-4)28-41(48)21-18-35-39(41,3)20-17-34-38(2)19-16-32(45)26-40(38)22-23-42(34,35)33(27-40)36(46)31-14-9-6-10-15-31/h5-10,12-15,22-23,27,29,32,34-35,45,48H,11,16-21,24-26,28H2,1-4H3,(H,43,47)/t29-,32?,34-,35-,38-,39+,40+,41-,42-/m1/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCOCC7=CC=CC=C7)OCC=C)C=O
InChI: InChI=1S/C56H68N2O13/c1-3-28-68-56-52(58(24-29-65-30-27-61)55(63)67-32-31-66-38-40-14-6-4-7-15-40)36-49(57-69-39-41-16-8-5-9-17-41)47-34-42(18-10-12-25-59)46(19-11-13-26-60)53(54(47)56)48-35-45(21-23-51(48)71-56)70-44-20-22-50(64-2)43(33-44)37-62/h3-9,14-17,20-23,33-35,37,42,46,52-54,59-61H,1,10-13,18-19,24-32,36,38-39H2,2H3/t42-,46+,52-,53+,54+,56+/m0/s1
SMILES: CO[C@H]1CCC2=CC(=C(C(=C2C3=CCC(=C([C@@H]13)C(=O)OC)C(=O)OC)OC)OC)OC
InChI: InChI=1S/C23H28O8/c1-26-15-10-7-12-11-16(27-2)20(28-3)21(29-4)17(12)13-8-9-14(22(24)30-5)19(18(13)15)23(25)31-6/h8,11,15,18H,7,9-10H2,1-6H3/t15-,18+/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H]([C@]([C@H](O1)C)(C)[Si](C)(C)C2=CC=CC=C2)OC(=O)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C29H50O6Si2/c1-13-32-27(31)29(19-33-37(20(2)3,21(4)5)22(6)7)26(34-24(9)30)28(10,23(8)35-29)36(11,12)25-17-15-14-16-18-25/h14-18,20-23,26H,13,19H2,1-12H3/t23-,26+,28-,29+/m1/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)C(=O)C5=CC=CO5)O)C
InChI: InChI=1S/C24H32N2O5/c1-15-5-3-6-16-13-19-20(21(27)24(15,16)2)17(23(29)31-19)14-25-8-10-26(11-9-25)22(28)18-7-4-12-30-18/h4,6-7,12,15,17,19-21,27H,3,5,8-11,13-14H2,1-2H3/t15-,17-,19-,20-,21-,24-/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)C4=CC=CC=C4)CSC5=CC=CC=C5OC
InChI: InChI=1S/C33H33NO5S/c1-22-29(21-40-30-11-7-6-10-28(30)37-2)38-33(39-31(22)24-14-12-23(20-35)13-15-24)26-16-18-27(19-17-26)34-32(36)25-8-4-3-5-9-25/h3-19,22,29,31,33,35H,20-21H2,1-2H3,(H,34,36)/t22-,29+,31+,33+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CCC[NH+]4[C@@H]([C@H]3C2=O)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H22N2O4/c1-29-16-11-9-15(10-12-16)25-22(27)18-17-8-5-13-24(17)20(19(18)23(25)28)21(26)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3/p+1/t17-,18-,19-,20-/m0/s1
SMILES: CC(=CC(=O)[C@H]1C[C@@H]([C@@H]2[C@H]([C@@H]1O)O2)O)C
InChI: InChI=1S/C11H16O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3,6,8-11,13-14H,4H2,1-2H3/t6-,8+,9-,10-,11+/m1/s1
SMILES: C[C@]12CC[C@H](C1)C([C@@]2(C3=C(C=CC(=C3)Cl)NC(=O)C(C)(C)C)OC)(C)C
InChI: InChI=1S/C22H32ClNO2/c1-19(2,3)18(25)24-17-9-8-15(23)12-16(17)22(26-7)20(4,5)14-10-11-21(22,6)13-14/h8-9,12,14H,10-11,13H2,1-7H3,(H,24,25)/t14-,21+,22-/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6C=NC(=C6Cl)Cl
InChI: InChI=1S/C35H34Cl2N4O7/c1-21-28(17-40-20-38-31(36)32(40)37)47-34(48-30(21)25-11-9-23(18-42)10-12-25)26-13-7-22(8-14-26)16-41-29(43)15-27(33(41)44)39-35(45)46-19-24-5-3-2-4-6-24/h2-14,20-21,27-28,30,34,42H,15-19H2,1H3,(H,39,45)/t21-,27?,28+,30+,34+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(C)(C)C)/C3=CSC(=N3)N)C(=O)O)C
InChI: InChI=1S/C19H26N4O4S2/c1-18(2,3)7-6-9(10-8-28-17(20)21-10)13(24)22-11-14(25)23-12(16(26)27)19(4,5)29-15(11)23/h6,8,11-12,15H,7H2,1-5H3,(H2,20,21)(H,22,24)(H,26,27)/b9-6-/t11-,12+,15-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)[O-]
InChI: InChI=1S/C23H18N2O5/c26-20(24-16-7-3-13(4-8-16)23(29)30)12-5-9-17(10-6-12)25-21(27)18-14-1-2-15(11-14)19(18)22(25)28/h1-10,14-15,18-19H,11H2,(H,24,26)(H,29,30)/p-1/t14-,15+,18-,19+
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]([C@@H]([C@H]2[C@H](OC(O2)(C)C)C=O)O)N)O)C
InChI: InChI=1S/C14H25NO7/c1-13(2)19-6-8(21-13)10(17)9(15)11(18)12-7(5-16)20-14(3,4)22-12/h5,7-12,17-18H,6,15H2,1-4H3/t7-,8-,9-,10-,11+,12-/m1/s1
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCCCCN4CCOCC4)C)C
InChI: InChI=1S/C29H48N4O3/c1-29-15-18-31(2)27(29)32(3)26-14-13-24(23-25(26)29)36-28(34)30-16-11-9-7-5-4-6-8-10-12-17-33-19-21-35-22-20-33/h13-14,23,27H,4-12,15-22H2,1-3H3,(H,30,34)/t27-,29+/m1/s1
SMILES: C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3/t14-,17+,18+,19-,20+,21+,22+/m0/s1
SMILES: CC1([C@@H]2C[C@H]1[C@@H]([C@H](C2)[Si](C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)COC)C
InChI: InChI=1S/C15H25F6NO5S2Si/c1-13(2)9-6-11(13)10(8-27-3)12(7-9)30(4,5)22(28(23,24)14(16,17)18)29(25,26)15(19,20)21/h9-12H,6-8H2,1-5H3/t9-,10+,11+,12+/m1/s1
SMILES: COC1=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)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)O)O
InChI: InChI=1S/C33H25Cl2F3N4O7/c1-49-24-10-14(2-9-23(24)43)26-18-7-8-19-25(30(46)42(48)28(19)44)20(18)12-21-29(45)41(31(47)32(21,26)15-3-5-17(34)6-4-15)40-27-22(35)11-16(13-39-27)33(36,37)38/h2-7,9-11,13,19-21,25-26,43,48H,8,12H2,1H3,(H,39,40)/t19-,20+,21-,25-,26-,32+/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H]([C@@H](N1CC(=O)OC)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H26N4O6/c1-13-20-21(22(28(13)11-19(30)33-2)15-4-6-16(7-5-15)23(26)27)25(32)29(24(20)31)10-14-3-8-17-18(9-14)35-12-34-17/h3-9,13,20-22H,10-12H2,1-2H3,(H3,26,27)/t13-,20-,21-,22-/m0/s1