EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H]1[C@@H]2[C@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=C(C=C5)Cl
InChI: InChI=1S/C42H62ClN5O10/c1-11-31-37-33(48(41(53)57-37)17-13-12-16-47-21-29(45-22-47)28-14-15-32(43)44-20-28)25(4)34(49)23(2)19-42(7,54-10)38(26(5)35(50)27(6)39(52)56-31)58-40-36(51)30(46(8)9)18-24(3)55-40/h14-15,20-27,30-31,33,36-38,40,51H,11-13,16-19H2,1-10H3/t23-,24-,25-,26+,27-,30+,31-,33+,36-,37-,38-,40?,42+/m1/s1
SMILES: C[C@H]1CC[C@H](O[C@@H]1C[C@H](C[C@@H]2C[C@H](C[C@@H](O2)CC(=O)OC)O[Si](C)(C)C(C)(C)C)O)[C@@H]([C@H]([C@H]3COC(O3)(C)C)O)I
InChI: InChI=1S/C30H55IO9Si/c1-18-10-11-23(27(31)28(34)25-17-36-30(5,6)39-25)38-24(18)13-19(32)12-20-14-22(40-41(8,9)29(2,3)4)15-21(37-20)16-26(33)35-7/h18-25,27-28,32,34H,10-17H2,1-9H3/t18-,19-,20+,21+,22+,23-,24+,25+,27-,28-/m0/s1
SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O
InChI: InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)/p-2/t11-,13-,14-,17-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NS(=O)(=O)C)N3C=NC4=C(N=CN=C43)N)C
InChI: InChI=1S/C14H18N6O6S/c1-14(2)25-7-8(12(21)19-27(3,22)23)24-13(9(7)26-14)20-5-18-6-10(15)16-4-17-11(6)20/h4-5,7-9,13H,1-3H3,(H,19,21)(H2,15,16,17)/t7-,8+,9-,13-/m1/s1
SMILES: CCN1CC[C@@H]2[C@H](C1)C3=C([C@H]2C4=CC=C(C=C4)COC(=O)NC)C=C(C=C3)C
InChI: InChI=1S/C24H30N2O2/c1-4-26-12-11-20-22(14-26)19-10-5-16(2)13-21(19)23(20)18-8-6-17(7-9-18)15-28-24(27)25-3/h5-10,13,20,22-23H,4,11-12,14-15H2,1-3H3,(H,25,27)/t20-,22-,23+/m1/s1
SMILES: CC12[C@H](CC[C@@]3(C1[C@@H]([C@]45C3C[C@@H]([C@H](C4)C(=C)C5)O[Si](C)(C)C)C(=O)OC)OC2=O)O[Si](C)(C)C
InChI: InChI=1S/C26H42O6Si2/c1-15-13-25-14-16(15)17(31-33(4,5)6)12-18(25)26-11-10-19(32-34(7,8)9)24(2,23(28)30-26)21(26)20(25)22(27)29-3/h16-21H,1,10-14H2,2-9H3/t16-,17+,18?,19+,20-,21?,24?,25+,26-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1OC)OC)OC)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C30H34O7/c1-21(31)36-26-25(37-29(34-4)28(33-3)27(26)32-2)20-35-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-29H,20H2,1-4H3/t25-,26+,27+,28+,29-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]([C@H](CCC/C=C\CCCCCCCCC)O)O)O
InChI: InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25-/t37-,38-,39+,40+,41+,42+,43-,44+,46+/m0/s1
SMILES: C1CN2CC3=CCOC([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=CC=CC=C56)O
InChI: InChI=1S/C19H22N2O2/c22-18-16-12-9-15-19(6-7-21(15)10-11(12)5-8-23-18)13-3-1-2-4-14(13)20-17(16)19/h1-5,12,15-18,20,22H,6-10H2/t12-,15-,16+,17-,18?,19+/m0/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)O)COC
InChI: InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=CC(=C9)C(=O)O
InChI: InChI=1S/C45H33NO7/c47-36-21-18-26-12-7-8-17-30(26)39(36)40-31-19-20-32-38(43(51)46(42(32)50)29-16-9-13-27(22-29)44(52)53)34(31)23-35-41(49)33(25-10-3-1-4-11-25)24-37(48)45(35,40)28-14-5-2-6-15-28/h1-19,21-22,24,32,34-35,38,40,47H,20,23H2,(H,52,53)/t32-,34+,35-,38-,40+,45-/m0/s1
SMILES: CC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCCC6)C)OC(=O)C
InChI: InChI=1S/C32H39NO4/c1-20(34)32(37-21(2)35)15-14-29-27-12-8-23-18-25(36)11-13-26(23)30(27)28(19-31(29,32)3)22-6-9-24(10-7-22)33-16-4-5-17-33/h6-7,9-10,18,27-29H,4-5,8,11-17,19H2,1-3H3/t27?,28-,29?,31+,32+/m1/s1
SMILES: CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H32N4O3/c1-2-25-13-15-26(16-14-25)20-10-6-5-9-19(20)24-21(28)11-12-27-22(29)17-7-3-4-8-18(17)23(27)30/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,24,28)/p+1/t17-,18+
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@@]4(C[C@H]5C=C[C@@]4(O5)CN3C2(C)C)C
InChI: InChI=1S/C19H29NO2/c1-12-5-6-14-15(9-12)21-16-18(4)10-13-7-8-19(18,22-13)11-20(16)17(14,2)3/h7-8,12-16H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16+,18+,19-/m1/s1
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC(C)C)N
InChI: InChI=1S/C19H32N2O/c1-14(2)10-17(20)13-21-9-8-19(4,15(3)12-21)16-6-5-7-18(22)11-16/h5-7,11,14-15,17,22H,8-10,12-13,20H2,1-4H3/t15-,17-,19+/m0/s1
SMILES: C1[C@@H]([C@H]1C2(C(=O)NC(=O)N2)C3CC4=CC=CC=C4C3)C(=O)O
InChI: InChI=1S/C16H16N2O4/c19-13(20)11-7-12(11)16(14(21)17-15(22)18-16)10-5-8-3-1-2-4-9(8)6-10/h1-4,10-12H,5-7H2,(H,19,20)(H2,17,18,21,22)/t11-,12-,16?/m0/s1
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C18H17N3O3S/c1-10-5-4-8-13-15(10)20-18(25-13)19-14(22)9-21-16(23)11-6-2-3-7-12(11)17(21)24/h2-5,8,11-12H,6-7,9H2,1H3,(H,19,20,22)/t11-,12-/m1/s1
SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@]5(C)CO)O)O)C)C)[C@@H]1[C@@H](C(CC2)(C)C)O)C
InChI: InChI=1S/C30H50O4/c1-25(2)12-13-26(3)14-15-29(6)18(22(26)24(25)34)8-9-21-27(4)16-19(32)23(33)28(5,17-31)20(27)10-11-30(21,29)7/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21-,22-,23+,24+,26-,27+,28-,29-,30-/m1/s1
SMILES: CC(=O)C1=CN(N=N1)C[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C(=O)NCCOC
InChI: InChI=1S/C16H25N5O3/c1-11(22)15-10-21(19-18-15)8-13-7-12-3-5-20(13)9-14(12)16(23)17-4-6-24-2/h10,12-14H,3-9H2,1-2H3,(H,17,23)/p+1/t12-,13-,14+/m1/s1
SMILES: C1=CN(C2=CC(=NC(=C21)N)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C12H14ClN3O4/c13-8-3-6-5(11(14)15-8)1-2-16(6)12-10(19)9(18)7(4-17)20-12/h1-3,7,9-10,12,17-19H,4H2,(H2,14,15)/t7-,9-,10-,12-/m1/s1
SMILES: CCCCCCCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=[N+]=[N-])C(=O)OCC
InChI: InChI=1S/C19H32N4O4/c1-4-6-7-8-9-10-11-27-17-13-15(19(25)26-5-2)12-16(22-23-20)18(17)21-14(3)24/h13,16-18H,4-12H2,1-3H3,(H,21,24)/t16-,17+,18+/m0/s1
SMILES: CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4)C5=C(C(=O)C6=C(O5)C=C(C=C6)O)O)O
InChI: InChI=1S/C35H28O10/c1-16-10-25(21-6-3-18(36)13-28(21)40)31(32(42)22-7-4-19(37)14-29(22)41)26(11-16)24-12-17(2-9-27(24)39)35-34(44)33(43)23-8-5-20(38)15-30(23)45-35/h2-9,11-15,25-26,31,36-41,44H,10H2,1H3/t25-,26+,31-/m1/s1
SMILES: CCCCCC[C@@H](CCC)C(=O)OC(C)OC(=O)O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C
InChI: InChI=1S/C38H64O9/c1-7-9-10-11-13-25(12-8-2)35(43)45-24(4)46-36(44)47-27-18-19-37(5)26(20-27)21-31(39)34-29-16-15-28(23(3)14-17-33(41)42)38(29,6)32(40)22-30(34)37/h23-32,34,39-40H,7-22H2,1-6H3,(H,41,42)/t23-,24?,25-,26+,27-,28-,29+,30+,31-,32+,34+,37+,38-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@H](CNC1=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C20H21NO3/c1-2-24-19(23)20(13-15-9-5-3-6-10-15)17(14-21-18(20)22)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,22)/t17-,20-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC2=CC=CC=C2CC3=CC=C(C=C3)N4C=CC=N4)O)O)O)CO
InChI: InChI=1S/C23H26N2O5/c26-14-17-13-20(22(28)23(29)21(17)27)30-19-5-2-1-4-16(19)12-15-6-8-18(9-7-15)25-11-3-10-24-25/h1-11,17,20-23,26-29H,12-14H2/t17-,20-,21-,22+,23+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)[O-]
InChI: InChI=1S/C15H15F3N2O6/c1-2-26-12(23)9-10(7-3-5-8(6-4-7)11(21)22)19-13(24)20-14(9,25)15(16,17)18/h3-6,9-10,25H,2H2,1H3,(H,21,22)(H2,19,20,24)/p-1/t9-,10-,14+/m0/s1
SMILES: CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O
InChI: InChI=1S/C19H29FN2O7/c1-2-3-4-5-6-7-8-9-14(23)28-11-13-15(24)16(25)18(29-13)22-10-12(20)17(26)21-19(22)27/h10,13,15-16,18,24-25H,2-9,11H2,1H3,(H,21,26,27)/t13-,15-,16-,18-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=CC(=C5)[N+](=O)[O-])CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)CCC7CCCC7
InChI: InChI=1S/C52H66FN3O9/c1-5-29-62-52-47(55(34-36-19-22-38(53)23-20-36)48(59)26-21-35-13-6-7-14-35)33-45(54-65-51(2,3)4)43-30-37(15-8-10-27-57)42(18-9-11-28-58)49(50(43)52)44-32-41(24-25-46(44)64-52)63-40-17-12-16-39(31-40)56(60)61/h5,12,16-17,19-20,22-25,30-32,35,37,42,47,49-50,57-58H,1,6-11,13-15,18,21,26-29,33-34H2,2-4H3/t37-,42+,47-,49+,50+,52+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H]3C[C@@H]2[C@@H]4[C@H]3N=NN4C5=CC=CC=C5
InChI: InChI=1S/C16H17N3/c1-2-5-10(6-3-1)19-16-14-9-13(15(16)17-18-19)11-7-4-8-12(11)14/h1-6,8,11-16H,7,9H2/t11-,12+,13-,14+,15+,16-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C25H21BrN2O8/c1-35-16-5-9(6-17(36-2)22(16)31)18-10-3-4-11-19(24(33)28(23(11)32)25(27)34)12(10)7-13-20(18)15(29)8-14(26)21(13)30/h3,5-6,8,11-12,18-19,31H,4,7H2,1-2H3,(H2,27,34)/t11-,12+,18-,19-/m0/s1
SMILES: C[C@H]1CC(=O)[C@@]2([C@@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)OC)C
InChI: InChI=1S/C20H26O2/c1-12-10-18(21)20(2)9-8-16-15-7-5-14(22-3)11-13(15)4-6-17(16)19(12)20/h5,7,11-12,16-17,19H,4,6,8-10H2,1-3H3/t12-,16+,17+,19-,20+/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)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9
InChI: InChI=1S/C48H47N7O8/c1-29(2)37(43(58)62-3)51-47(61)54-35-18-11-10-17-34(35)48(45(54)60)36(42(57)52-25-27-53(28-26-52)46-49-23-12-24-50-46)39-44(59)63-40(31-15-8-5-9-16-31)38(30-13-6-4-7-14-30)55(39)41(48)32-19-21-33(56)22-20-32/h4-24,29,36-41,56H,25-28H2,1-3H3,(H,51,61)/t36-,37+,38-,39-,40+,41+,48-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-])CCC4=CC(=O)CC[C@@]34C
InChI: InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/p-1/t17-,18+,19+,20-,24-,25-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC(=C4S3)SCCN)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C17H20N4O4S2/c1-7-10(9-5-20-6-19-14(16(20)27-9)26-4-3-18)13(17(24)25)21-12(7)11(8(2)22)15(21)23/h5-8,11-12,22H,3-4,18H2,1-2H3,(H,24,25)/t7-,8+,11+,12+/m0/s1
SMILES: CC(=O)[C@@]12CC[C@]3([C@@H](C[C@@H]([C@@H]([C@@H]3[C@]1(C[C@H](OC2=O)C4=COC=C4)C)OC(=O)C)O)C(=O)OC)C
InChI: InChI=1S/C25H32O9/c1-13(26)25-8-7-23(3)16(21(29)31-5)10-17(28)19(33-14(2)27)20(23)24(25,4)11-18(34-22(25)30)15-6-9-32-12-15/h6,9,12,16-20,28H,7-8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,23-,24+,25+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)C2=CC(=C(N=C2)OCC3CC3)C4=CC=C(C=C4)F)O
InChI: InChI=1S/C22H25FN2O3/c23-17-9-7-15(8-10-17)18-11-16(12-24-22(18)28-13-14-5-6-14)21(27)25-19-3-1-2-4-20(19)26/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)/t19-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CC2=CSC(=N2)C3=CSC=C3
InChI: InChI=1S/C18H22N2O3S2/c1-12-4-2-3-5-15(12)20-16(21)9-23-17(22)8-14-11-25-18(19-14)13-6-7-24-10-13/h6-7,10-12,15H,2-5,8-9H2,1H3,(H,20,21)/t12-,15+/m0/s1
SMILES: CN(C)S(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=CC=CC=C4CCN3C2
InChI: InChI=1S/C18H27N3O2S/c1-19(2)24(22,23)21-10-5-7-15-13-20-11-9-14-6-3-4-8-16(14)18(20)12-17(15)21/h3-4,6,8,15,17-18H,5,7,9-13H2,1-2H3/t15-,17+,18+/m1/s1
SMILES: CN1CCOC2=C1C=CC(=C2)CN3C[C@@H]4[C@H](C3)C4COCCCN5CCCCC5
InChI: InChI=1S/C24H37N3O2/c1-25-11-13-29-24-14-19(6-7-23(24)25)15-27-16-20-21(17-27)22(20)18-28-12-5-10-26-8-3-2-4-9-26/h6-7,14,20-22H,2-5,8-13,15-18H2,1H3/t20-,21+,22?
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=C(C(=CC(=C45)O)O)[C@@H]6[C@H]([C@H](OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI: InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)60-41(16-2-5-21(48)25(52)8-16)39(58)37(33)34-28(55)13-29(56)35-38-36-32(62-45(44(38)59,63-43(34)35)17-3-6-22(49)26(53)9-17)14-23(50)19-12-30(57)40(61-42(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38+,39+,40+,41+,44+,45+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)C4=CC=CS4
InChI: InChI=1S/C18H20N2OS/c1-12-5-6-15-13(10-12)14-11-19(2)8-7-16(14)20(15)18(21)17-4-3-9-22-17/h3-6,9-10,14,16H,7-8,11H2,1-2H3/p+1/t14-,16-/m0/s1
SMILES: CC1=C2CC[C@@H]3[C@H](C2=C(C=C1)O)CC[C@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H24O2/c1-11-3-7-16(20)18-12(11)4-5-13-14(18)9-10-19(2)15(13)6-8-17(19)21/h3,7,13-15,20H,4-6,8-10H2,1-2H3/t13-,14-,15-,19+/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])O
InChI: InChI=1S/C15H17NO5/c1-21-13-7-6-9(8-12(13)17)16-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11,17H,4-5H2,1H3,(H,16,18)(H,19,20)/p-1/t10-,11-/m0/s1
SMILES: C[C@]12C[C@@H](C3(C(C1C[C@H]4[C@]2(OC(O4)C5=CC=C(C=C5)N(C)C)C(=O)COC(=O)C(C)(C)NC(=O)C6=CC=CC=C6)CCC7=CC(=O)C=C[C@@]73C)F)O
InChI: InChI=1S/C41H47FN2O8/c1-37(2,43-34(48)24-10-8-7-9-11-24)36(49)50-23-32(47)41-33(51-35(52-41)25-12-15-27(16-13-25)44(5)6)21-30-29-17-14-26-20-28(45)18-19-38(26,3)40(29,42)31(46)22-39(30,41)4/h7-13,15-16,18-20,29-31,33,35,46H,14,17,21-23H2,1-6H3,(H,43,48)/t29?,30?,31-,33-,35?,38-,39-,40?,41+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)F)F
InChI: InChI=1S/C17H19F2N3O3/c1-10-4-2-3-7-17(10)15(24)22(16(25)21-17)9-14(23)20-13-8-11(18)5-6-12(13)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,23)(H,21,25)/t10-,17+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@@H]2[C@H](CCC(=O)N2)[N+](=O)[O-]
InChI: InChI=1S/C13H14N2O5/c1-20-13(17)9-4-2-8(3-5-9)12-10(15(18)19)6-7-11(16)14-12/h2-5,10,12H,6-7H2,1H3,(H,14,16)/t10-,12+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C
InChI: InChI=1S/C25H29N3O2/c1-16-12-13-17(2)21(14-16)24-19-9-5-6-10-20(19)25(30)28(27-24)15-23(29)26-22-11-7-4-8-18(22)3/h5-6,9-10,12-14,18,22H,4,7-8,11,15H2,1-3H3,(H,26,29)/t18-,22+/m1/s1
SMILES: C[C@@]12C=CC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3
InChI: InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5)O)O)O)O)O)O
InChI: InChI=1S/C27H30O12/c1-12-17(28)20(31)22(33)26(36-12)35-11-16-19(30)21(32)23(34)27(38-16)39-25-18(29)14-9-5-6-10-15(14)37-24(25)13-7-3-2-4-8-13/h2-10,12,16-17,19-23,26-28,30-34H,11H2,1H3/t12-,16+,17-,19+,20+,21-,22+,23+,26+,27-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]1N(C2=O)CC3=CC=CC=C3)Br
InChI: InChI=1S/C15H16BrNO3/c1-9(18)20-12-7-11-13(16)14(12)17(15(11)19)8-10-5-3-2-4-6-10/h2-6,11-14H,7-8H2,1H3/t11-,12-,13+,14+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2[C@]4(C5=CC=CC=C5[C@@]3(C4=O)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C28H24O/c29-26-27(20-9-3-1-4-10-20)22-13-7-8-14-23(22)28(26,21-11-5-2-6-12-21)25-19-16-15-18(17-19)24(25)27/h1-14,18-19,24-25H,15-17H2/t18-,19+,24+,25-,27+,28-
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)N(N=N3)CC4=CC(=CC=C4)OC
InChI: InChI=1S/C20H20N4O3/c1-3-13-7-9-15(10-8-13)24-19(25)17-18(20(24)26)23(22-21-17)12-14-5-4-6-16(11-14)27-2/h4-11,17-18H,3,12H2,1-2H3/t17-,18+/m1/s1
SMILES: C[C@H]1C[C@]2(C[C@@H](N(C[C@@H]2C)C)C)NC3=CC=CC=C13
InChI: InChI=1S/C17H26N2/c1-12-9-17(10-14(3)19(4)11-13(17)2)18-16-8-6-5-7-15(12)16/h5-8,12-14,18H,9-11H2,1-4H3/t12-,13-,14-,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)SC5=NC(=CC(=N5)C)C
InChI: InChI=1S/C25H23N3O2S2/c1-15-10-12-19(13-11-15)32(29,30)28-23-20-8-4-6-18-7-5-9-21(22(18)20)24(23)31-25-26-16(2)14-17(3)27-25/h4-14,23-24,28H,1-3H3/t23-,24+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]1(C(=O)CC2)C)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C20H26O2/c1-19-10-8-16-15-6-5-14(22-3)12-13(15)4-7-17(16)20(19,2)18(21)9-11-19/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-,19-,20-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C23H18N2O3/c26-22-19-20(16-10-4-1-5-11-16)25(18-14-8-3-9-15-18)28-21(19)23(27)24(22)17-12-6-2-7-13-17/h1-15,19-21H/t19-,20+,21-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H23NO4/c1-15-10-11-19-20(12-15)23(27)24(22(19)26)17-8-5-9-18(13-17)28-14-21(25)16-6-3-2-4-7-16/h2-9,13,15,19-20H,10-12,14H2,1H3/t15-,19+,20+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5OC)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)Cl
InChI: InChI=1S/C36H30Cl2N2O8/c1-39-33(45)35(37)17-24-22(29(36(35,38)34(39)46)28-25(41)15-21(47-2)16-26(28)48-3)13-14-23-27(24)32(44)40(31(23)43)20-11-9-19(10-12-20)30(42)18-7-5-4-6-8-18/h4-13,15-16,23-24,27,29,41H,14,17H2,1-3H3/t23-,24+,27-,29+,35+,36-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CN)C
InChI: InChI=1S/C12H21NO5/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10H,5,13H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2CC[C@@H]([C@@H](C2)O)CC3=CC=CC=C3
InChI: InChI=1S/C20H25NO/c1-16(18-10-6-3-7-11-18)21-13-12-19(20(22)15-21)14-17-8-4-2-5-9-17/h2-11,16,19-20,22H,12-15H2,1H3/t16-,19-,20-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N(C)C2CCCCC2)C3=COC4=CC=CC=C4C3=O)CCOCCOCCO
InChI: InChI=1S/C30H41NO8/c1-3-37-30-22(13-15-35-17-18-36-16-14-32)24(25-20-38-26-12-8-7-11-23(26)28(25)33)19-27(39-30)29(34)31(2)21-9-5-4-6-10-21/h7-8,11-12,19-22,24,30,32H,3-6,9-10,13-18H2,1-2H3/t22-,24+,30-/m0/s1
SMILES: C1=C[C@]2([C@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)Cl)CO
InChI: InChI=1S/C15H11Cl2NO4/c16-7-1-2-8(17)9(5-7)18-13(20)11-10-3-4-15(6-19,22-10)12(11)14(18)21/h1-5,10-12,19H,6H2/t10-,11+,12+,15-/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)NN=C3C(=O)OC
InChI: InChI=1S/C14H13N3O4/c1-7-5-3-4-6-8(7)17-12(18)9-10(13(17)19)15-16-11(9)14(20)21-2/h3-6,9-10,15H,1-2H3/t9-,10+/m1/s1
SMILES: C1C[C@]2([C@@H](/C(=N/O)/SC2=NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C51
InChI: InChI=1S/C25H18Cl2N2O2S/c26-17-7-5-16(6-8-17)21-23(29-31)32-24(28-19-11-9-18(27)10-12-19)25(21)14-13-15-3-1-2-4-20(15)22(25)30/h1-12,21,31H,13-14H2/b28-24?,29-23-/t21-,25+/m1/s1
SMILES: CC(=O)/C=C/C1=CO[C@@H]([C@@]1(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C
InChI: InChI=1S/C18H26O7/c1-11(19)8-9-12-10-23-13(14(20)24-16(2,3)4)18(12,22)15(21)25-17(5,6)7/h8-10,13,22H,1-7H3/b9-8+/t13-,18+/m1/s1
SMILES: CCC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1CC(C)C)C(=O)NCC4=CC=CS4
InChI: InChI=1S/C24H33N3O4S/c1-6-23(4,5)26-21(29)19-24-10-9-16(31-24)17(18(24)22(30)27(19)13-14(2)3)20(28)25-12-15-8-7-11-32-15/h7-11,14,16-19H,6,12-13H2,1-5H3,(H,25,28)(H,26,29)/t16-,17+,18+,19+,24+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C23H32O5/c1-13(24)27-16-7-9-22(3)15(11-16)12-19(26)21-17-5-6-20(28-14(2)25)23(17,4)10-8-18(21)22/h12,16-18,20-21H,5-11H2,1-4H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
SMILES: C[N+]1=CC=CC(=C1)[C@H]2CCCC[N@@+]2(C)CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O
InChI: InChI=1S/C29H32N2O/c1-30-19-11-12-23(22-30)28-17-7-9-20-31(28,2)21-10-8-18-29(32)26-15-5-3-13-24(26)25-14-4-6-16-27(25)29/h3-6,11-16,19,22,28,32H,7,9,17-18,20-21H2,1-2H3/q+2/t28-,31+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCOC/C=C\[C@@H]2C[C@@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=NC=CC5=C4C=CC(=C5)OC)C(=O)NS(=O)(=O)C6CC6
InChI: InChI=1S/C35H45N5O10S/c1-34(2,3)50-33(44)37-27-8-6-16-48-15-5-7-22-19-35(22,32(43)39-51(45,46)25-10-11-25)38-29(41)28-18-24(20-40(28)31(27)42)49-30-26-12-9-23(47-4)17-21(26)13-14-36-30/h5,7,9,12-14,17,22,24-25,27-28H,6,8,10-11,15-16,18-20H2,1-4H3,(H,37,44)(H,38,41)(H,39,43)/b7-5-/t22-,24-,27+,28+,35+/m1/s1
SMILES: CCOC1=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=C(C=C8)Cl
InChI: InChI=1S/C42H34ClNO6/c1-2-50-34-15-9-14-30(39(34)47)37-28-20-21-29-36(41(49)44(40(29)48)27-18-16-26(43)17-19-27)32(28)22-33-38(46)31(24-10-5-3-6-11-24)23-35(45)42(33,37)25-12-7-4-8-13-25/h3-20,23,29,32-33,36-37,47H,2,21-22H2,1H3/t29-,32+,33-,36-,37+,42-/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2F)C#N)C3=CC=CC=C3F
InChI: InChI=1S/C22H17F2N3O4S/c1-31-22(30)19-18(12-6-2-3-7-14(12)23)13(10-25)21(27-20(19)29)32-11-17(28)26-16-9-5-4-8-15(16)24/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)/t18-,19-/m1/s1
SMILES: CC(=O)NC[C@@H]1[C@H](C[C@H]([C@@H]1CNC(=O)C)C(=O)OC)C(=O)O
InChI: InChI=1S/C14H22N2O6/c1-7(17)15-5-11-9(13(19)20)4-10(14(21)22-3)12(11)6-16-8(2)18/h9-12H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10+,11+,12-/m0/s1
SMILES: CC(=O)N(CCOC)C1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)SCCC(F)(F)F
InChI: InChI=1S/C24H30F3N5O9S/c1-12(33)31(7-8-37-5)20-17-21(30-23(29-20)42-9-6-24(25,26)27)32(11-28-17)22-19(40-15(4)36)18(39-14(3)35)16(41-22)10-38-13(2)34/h11,16,18-19,22H,6-10H2,1-5H3/t16-,18-,19-,22-/m1/s1
SMILES: C#CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C19H19NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h1,3-6,12-13,15,18,21-22H,7-10H2/t12-,13+,15-,18-,19-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC(=C3)C=CC(=O)OCC(F)(F)F)OC4(O2)CC5=CC=CC=C5C4)O
InChI: InChI=1S/C34H35F3N2O10/c1-19(41)28(31(44)38-11-12-40)39-30(43)24-14-25(29-26(15-24)48-33(49-29)16-22-6-2-3-7-23(22)17-33)47-32(45)21-8-4-5-20(13-21)9-10-27(42)46-18-34(35,36)37/h2-10,13,15,19,25-26,28-29,40-41H,11-12,14,16-18H2,1H3,(H,38,44)(H,39,43)/t19-,25+,26+,28+,29-/m0/s1
SMILES: CC(C)C1=C(C(=NN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)F)O)O)CC3=CC=C(C=C3)CCCN4CCN(CC4)CCO
InChI: InChI=1S/C28H43FN4O6/c1-18(2)24-21(27(31-30-24)39-28-26(37)25(36)23(29)22(17-35)38-28)16-20-7-5-19(6-8-20)4-3-9-32-10-12-33(13-11-32)14-15-34/h5-8,18,22-23,25-26,28,34-37H,3-4,9-17H2,1-2H3,(H,30,31)/t22-,23-,25+,26-,28+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
InChI: InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11-5(23-12)3-22-13(24-11)9(19)7(17)6(16)4(15)2-14/h4-20H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1
SMILES: C[C@]12CC[C@H]([C@@](CC[C@H](OC(=O)C3=CC(=C(C=C3)O)C[C@@H]1C(=C)CC[C@@H]2Br)C(C)(C)Br)(C)O)Br
InChI: InChI=1S/C27H37Br3O4/c1-16-6-9-21(28)26(4)12-10-22(29)27(5,33)13-11-23(25(2,3)30)34-24(32)17-7-8-20(31)18(14-17)15-19(16)26/h7-8,14,19,21-23,31,33H,1,6,9-13,15H2,2-5H3/t19-,21+,22-,23+,26+,27+/m1/s1
SMILES: CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=C([C@H]3OC2=O)C(CC[C@H]4O)(C)C
InChI: InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+/t10-,13-,14-,16+/m1/s1
SMILES: COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H22ClN3O4/c1-26-16(23)10-15-17(24)21-13-4-2-3-5-14(13)22(15)18(25)20-12-8-6-11(19)7-9-12/h6-9,13-15H,2-5,10H2,1H3,(H,20,25)(H,21,24)/t13-,14-,15-/m0/s1
SMILES: C=CCN1C(=NN(C1=S)[C@@H]2CC(=O)[C@@H]3OC[C@H]2O3)C4=CN=CC=C4
InChI: InChI=1S/C16H16N4O3S/c1-2-6-19-14(10-4-3-5-17-8-10)18-20(16(19)24)11-7-12(21)15-22-9-13(11)23-15/h2-5,8,11,13,15H,1,6-7,9H2/t11-,13-,15-/m1/s1
SMILES: C[C@@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(C5=CC=CC=C5)O)C
InChI: InChI=1S/C25H36O/c1-23-15-7-6-8-18(23)11-12-20-21(23)13-16-24(2)22(20)14-17-25(24,26)19-9-4-3-5-10-19/h3-5,9-10,18,20-22,26H,6-8,11-17H2,1-2H3/t18-,20-,21+,22-,23-,24-,25+/m1/s1
SMILES: C[Si](C)(C)OC[C@H]([C@H]1[C@@H]([C@H](C(=O)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15+,16+,17-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)C
InChI: InChI=1S/C25H40O4/c1-16(4-9-23(27)28)20-7-8-21-19-6-5-17-14-18(29-15-26)10-12-24(17,2)22(19)11-13-25(20,21)3/h15-22H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC4=CC=CC(=C4)C(=O)OC
InChI: InChI=1S/C25H29N3O6S/c1-14(2)15-7-9-17(10-8-15)27-25(30)34-20-13-33-21-19(12-32-22(20)21)28-24(35)26-18-6-4-5-16(11-18)23(29)31-3/h4-11,14,19-22H,12-13H2,1-3H3,(H,27,30)(H2,26,28,35)/t19-,20+,21+,22+/m0/s1
SMILES: C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC(CN=[N+]=[N-])CN=[N+]=[N-])O)O)O)O
InChI: InChI=1S/C9H16N6O6/c10-14-12-1-4(2-13-15-11)20-9-8(19)7(18)6(17)5(3-16)21-9/h4-9,16-19H,1-3H2/t5-,6-,7-,8+,9+/m1/s1