EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)OCC=C)SC5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C38H45NO6S/c1-3-20-44-38-35(46-29-16-14-25-10-4-5-11-26(25)21-29)24-33(39-43-2)31-22-27(12-6-8-18-40)30(13-7-9-19-41)36(37(31)38)32-23-28(42)15-17-34(32)45-38/h3-5,10-11,14-17,21-23,27,30,35-37,40-42H,1,6-9,12-13,18-20,24H2,2H3/t27-,30+,35-,36+,37+,38+/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H](C1(C(=O)OC)C(=O)OC)[C@H]([Si](C)(C)C)[Se]C2=CC=CC=C2
InChI: InChI=1S/C19H26O6SeSi/c1-23-15(20)13-14(19(13,17(21)24-2)18(22)25-3)16(27(4,5)6)26-12-10-8-7-9-11-12/h7-11,13-14,16H,1-6H3/t13-,14+,16-/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H20N2O4/c1-12(22)13-5-4-6-14(11-13)20-17(23)9-10-21-18(24)15-7-2-3-8-16(15)19(21)25/h2-6,11,15-16H,7-10H2,1H3,(H,20,23)/t15-,16-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C
InChI: InChI=1S/C19H24N2O3/c1-11-8-12(2)17(13(3)9-11)20-16(22)10-21-18(23)14-6-4-5-7-15(14)19(21)24/h8-9,14-15H,4-7,10H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@]([C@@H]3C2=O)(O4)C)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O5/c1-8-3-4-9(7-10(8)18(21)22)17-14(19)12-11-5-6-16(2,23-11)13(12)15(17)20/h3-7,11-13H,1-2H3/t11-,12+,13+,16+/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5OC)OC)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F
InChI: InChI=1S/C33H29ClFN5O7/c1-37-31(44)38-13-12-22-24(40(38)32(37)45)16-23-29(42)39(36-20-10-8-19(35)9-11-20)30(43)33(23,17-4-6-18(34)7-5-17)28(22)27-25(41)14-21(46-2)15-26(27)47-3/h4-12,14-15,23-24,28,36,41H,13,16H2,1-3H3/t23-,24+,28+,33+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H28N2O4/c1-28-17-12-8-15(9-13-17)23-20(25)14-6-10-16(11-7-14)24-21(26)18-4-2-3-5-19(18)22(24)27/h8-9,12-14,16,18-19H,2-7,10-11H2,1H3,(H,23,25)/t14?,16?,18-,19-/m0/s1
SMILES: C1[C@@H](N(C(=O)O1)C(=O)[C@@H]2[C@H](OC(=S)N2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C27H23BrN2O5S/c28-19-11-12-22(33-15-18-9-5-2-6-10-18)21(14-19)24-23(29-26(36)35-24)25(31)30-20(16-34-27(30)32)13-17-7-3-1-4-8-17/h1-12,14,20,23-24H,13,15-16H2,(H,29,36)/t20-,23-,24+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C
InChI: InChI=1S/C18H27N3O3S2/c1-12-5-4-6-16(13(12)2)19-18(25)21-20-17(22)15-9-7-14(8-10-15)11-26(3,23)24/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,20,22)(H2,19,21,25)/t12-,13-,16+/m1/s1
SMILES: CC(C)CNC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C16H22N2O5/c1-10(2)7-17-13(19)9-23-14(20)8-18-15(21)11-5-3-4-6-12(11)16(18)22/h3-4,10-12H,5-9H2,1-2H3,(H,17,19)/t11-,12+
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H21N3O4/c1-11-5-2-3-8-14(11)18-15(20)10-17-16(21)12-6-4-7-13(9-12)19(22)23/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,21)(H,18,20)/t11-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)CCN2[C@@H]([C@@H](C2=O)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H23NO5/c1-28-19-10-7-17(8-11-19)13-14-26-23(18-9-12-21-22(15-18)30-16-29-21)24(25(26)27)31-20-5-3-2-4-6-20/h2-12,15,23-24H,13-14,16H2,1H3/t23-,24+/m1/s1
SMILES: CCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCN(CC2)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=C5C=CC(=C6)O)C)O
InChI: InChI=1S/C35H47N3O4/c1-3-32(40)36-31(21-24-7-5-4-6-8-24)33(41)38-19-17-37(18-20-38)23-35(42)16-14-30-29-11-9-25-22-26(39)10-12-27(25)28(29)13-15-34(30,35)2/h4-8,10,12,22,28-31,39,42H,3,9,11,13-21,23H2,1-2H3,(H,36,40)/t28-,29-,30+,31+,34+,35-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H](CC(=O)N1CC2=CC=C(C=C2)OC)[Si](C)(C)CC=C)C#N
InChI: InChI=1S/C21H28N2O4Si/c1-6-12-28(4,5)18-13-19(24)23(21(18,15-22)20(25)27-7-2)14-16-8-10-17(26-3)11-9-16/h6,8-11,18H,1,7,12-14H2,2-5H3/t18-,21+/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)[O-])O)CO)OCCCCCCCCC(=O)NC)NC(=O)C)O)O)O
InChI: InChI=1S/C30H54N2O19S/c1-14-20(37)22(39)23(40)29(46-14)50-26-19(32-15(2)35)28(45-11-9-7-5-4-6-8-10-18(36)31-3)48-17(13-34)25(26)49-30-24(41)27(51-52(42,43)44)21(38)16(12-33)47-30/h14,16-17,19-30,33-34,37-41H,4-13H2,1-3H3,(H,31,36)(H,32,35)(H,42,43,44)/p-1/t14-,16+,17+,19+,20+,21-,22+,23-,24+,25+,26+,27-,28+,29-,30-/m0/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)OCC3=CC=C(C=C3)F
InChI: InChI=1S/C23H26FNO3/c1-2-16-9-13-19(14-10-16)25-22(26)20-5-3-4-6-21(20)23(27)28-15-17-7-11-18(24)12-8-17/h7-14,20-21H,2-6,15H2,1H3,(H,25,26)/t20-,21+/m0/s1
SMILES: C[C@H]1C[C@@H]([C@@]2([C@@H]3[C@@]1([C@@H]4CC[C@@H]5C[C@@]4([C@H]3C(=O)O)CC5=C)OC2=O)C)O
InChI: InChI=1S/C20H26O5/c1-9-7-19-8-11(9)4-5-12(19)20-10(2)6-13(21)18(3,17(24)25-20)15(20)14(19)16(22)23/h10-15,21H,1,4-8H2,2-3H3,(H,22,23)/t10-,11+,12+,13-,14+,15+,18+,19-,20+/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCC(=O)O)O
InChI: InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22+,26-/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)CNC(=O)C4=NC5=CC=CC=C5N=C4)CN(C)[C@@H](C)C6=CC=CC=C6
InChI: InChI=1S/C38H40N4O4/c1-25-35(23-42(3)26(2)29-9-5-4-6-10-29)45-38(46-36(25)30-17-15-28(24-43)16-18-30)31-19-13-27(14-20-31)21-40-37(44)34-22-39-32-11-7-8-12-33(32)41-34/h4-20,22,25-26,35-36,38,43H,21,23-24H2,1-3H3,(H,40,44)/t25-,26+,35+,36+,38+/m1/s1
SMILES: CN1C2CCC1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)C/C=N/OCC(=O)OC
InChI: InChI=1S/C19H24Cl2N2O3/c1-23-13-4-6-18(23)14(7-8-22-26-11-19(24)25-2)15(10-13)12-3-5-16(20)17(21)9-12/h3,5,8-9,13-15,18H,4,6-7,10-11H2,1-2H3/b22-8+/t13?,14-,15-,18?/m1/s1
SMILES: CCCCCS(=O)(=O)[C@@]12[C@@H]3C[C@H]([C@@H]1S(=O)(=O)C[C@@H]2O)C=C3
InChI: InChI=1S/C14H22O5S2/c1-2-3-4-7-21(18,19)14-11-6-5-10(8-11)13(14)20(16,17)9-12(14)15/h5-6,10-13,15H,2-4,7-9H2,1H3/t10-,11+,12+,13+,14-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2C[C@H]2C3=NNC(=S)N3C4=CC=C(C=C4)C
InChI: InChI=1S/C19H19N3S/c1-12-3-7-14(8-4-12)16-11-17(16)18-20-21-19(23)22(18)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)/t16-,17+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H20N2O7/c27-19(13-6-8-17(9-7-13)26(31)32)12-33-24(30)16-2-1-3-18(11-16)25-22(28)20-14-4-5-15(10-14)21(20)23(25)29/h1-3,6-9,11,14-15,20-21H,4-5,10,12H2/t14-,15+,20-,21-/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N
InChI: InChI=1S/C34H51N9O12/c1-17(45)39-27-23(55-24(16-44)28(49)29(27)50)11-5-9-20-31(52)41-19(10-6-12-37-34(35)36)30(51)38-15-25(46)40-22(14-26(47)48)33(54)43-21(32(53)42-20)13-18-7-3-2-4-8-18/h2-4,7-8,19-24,27-29,44,49-50H,5-6,9-16H2,1H3,(H,38,51)(H,39,45)(H,40,46)(H,41,52)(H,42,53)(H,43,54)(H,47,48)(H4,35,36,37)/t19-,20-,21+,22-,23-,24+,27-,28+,29+/m0/s1
SMILES: CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2C#N
InChI: InChI=1S/C20H26N2O4/c1-13-7-6-9-17(14(13)2)22-20(24)15(3)26-19(23)12-25-18-10-5-4-8-16(18)11-21/h4-5,8,10,13-15,17H,6-7,9,12H2,1-3H3,(H,22,24)/t13-,14+,15+,17+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H](C#C[C@@H]1[C@H](CC[C@@H]2[C@H]1CC23OCCO3)O)C4CCCCC4
InChI: InChI=1S/C25H42O4Si/c1-24(2,3)30(4,5)29-23(18-9-7-6-8-10-18)14-11-19-20-17-25(27-15-16-28-25)21(20)12-13-22(19)26/h18-23,26H,6-10,12-13,15-17H2,1-5H3/t19-,20-,21+,22-,23-/m0/s1
SMILES: CC1=C[C@@H]([C@@H]2[C@H]3CC[C@@H]([C@@H]2[C@@H]1O)C=C3)O
InChI: InChI=1S/C13H18O2/c1-7-6-10(14)11-8-2-4-9(5-3-8)12(11)13(7)15/h2,4,6,8-15H,3,5H2,1H3/t8-,9+,10+,11+,12+,13-/m1/s1
SMILES: C[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C
InChI: InChI=1S/C35H62O3Si/c1-25(12-11-23-37-39(7,8)33(2,3)4)29-16-17-30-28-15-14-26-24-27(38-32-13-9-10-22-36-32)18-20-34(26,5)31(28)19-21-35(29,30)6/h14,25,27-32H,9-13,15-24H2,1-8H3/t25-,27+,28+,29-,30+,31+,32?,34+,35-/m1/s1
SMILES: C[C@H]1[C@H]2C/C=C/[C@H]3[C@@H]([C@@H](C[C@@H](O3)/C=C/C=C\C=C/C(=O)O[C@@H]4C=C[C@H](C/C=C/CC/C=C/[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]4/C(=C/[C@H](C)CCCCC(=O)O)/C)O)C
InChI: InChI=1S/C46H66O11/c1-30(17-14-15-23-43(50)51)27-31(2)46-41-26-25-34(55-46)18-10-6-5-7-12-20-36(47)45(53)42-29-38(49)33(4)40(56-42)22-16-21-39-32(3)37(48)28-35(54-39)19-11-8-9-13-24-44(52)57-41/h6,8-13,16,19-21,24-27,30,32-42,45-49,53H,5,7,14-15,17-18,22-23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,21-16+,24-13-,31-27+/t30-,32-,33-,34+,35+,36+,37-,38+,39+,40-,41-,42-,45+,46+/m1/s1
SMILES: CCC[C@H]1[C@H]2CC=C[C@@H]2C3=C(C=CC(=C3N1)C(=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C16H18N2O4/c1-2-4-12-9-5-3-6-10(9)14-13(18(21)22)8-7-11(16(19)20)15(14)17-12/h3,6-10,12,17H,2,4-5H2,1H3,(H,19,20)/p-1/t9-,10-,12-/m0/s1
SMILES: COCCCN1C=C(C2=CC=CC=C21)CN(C3CC3)C(=O)[C@H]4CNCC[C@@H]4C5=CC=CC(=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H39N3O2/c1-39-20-8-19-36-23-28(31-13-5-6-14-33(31)36)24-37(29-15-16-29)34(38)32-22-35-18-17-30(32)27-12-7-11-26(21-27)25-9-3-2-4-10-25/h2-7,9-14,21,23,29-30,32,35H,8,15-20,22,24H2,1H3/t30-,32+/m1/s1
SMILES: C[C@@]12CCC3[C@@]([C@H]1CC[C@@H]([C@@]24CC(=O)OC4)C(=O)SC5=CC=C(C=C5)OC)(C(=O)C=CC3(C)C)C
InChI: InChI=1S/C29H36O5S/c1-26(2)14-13-23(30)28(4)21(26)12-15-27(3)22(28)11-10-20(29(27)16-24(31)34-17-29)25(32)35-19-8-6-18(33-5)7-9-19/h6-9,13-14,20-22H,10-12,15-17H2,1-5H3/t20-,21?,22+,27-,28+,29+/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O
InChI: InChI=1S/C26H50N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(31)28-20-23(34)24(17(15-30)36-25(20)35)38-26-19(27)22(33)21(32)16(14-29)37-26/h16-17,19-26,29-30,32-35H,2-15,27H2,1H3,(H,28,31)/t16-,17-,19-,20-,21-,22-,23-,24-,25?,26+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=CCO[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)OC(O3)(C6CC6)C7CC7
InChI: InChI=1S/C44H60N2O15/c1-43(2,3)60-34(49)17-16-29(22-47)45-39(53)30-7-4-18-46(30)40(54)26-20-31(38-32(21-26)59-44(61-38,27-12-13-27)28-14-15-28)57-41(55)25-10-8-24(9-11-25)6-5-19-56-42-37(52)36(51)35(50)33(23-48)58-42/h5-6,8-11,21,27-33,35-38,42,47-48,50-52H,4,7,12-20,22-23H2,1-3H3,(H,45,53)/t29-,30+,31+,32+,33+,35-,36-,37+,38-,42-/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=CC=CC=N7
InChI: InChI=1S/C43H41N3O7S/c1-28-37(27-54-38-12-5-6-21-44-38)52-42(53-40(28)33-15-13-29(25-47)14-16-33)34-19-17-32(18-20-34)35-11-7-10-31(22-35)24-46-39(48)23-36(41(46)49)45-43(50)51-26-30-8-3-2-4-9-30/h2-22,28,36-37,40,42,47H,23-27H2,1H3,(H,45,50)/t28-,36?,37+,40+,42+/m0/s1
SMILES: CCCC[C@@H]1C[C@@H]2C(=O)/C(=C/C3=CC=CC=C3)/C[C@H]1N2C
InChI: InChI=1S/C19H25NO/c1-3-4-10-15-12-18-19(21)16(13-17(15)20(18)2)11-14-8-6-5-7-9-14/h5-9,11,15,17-18H,3-4,10,12-13H2,1-2H3/b16-11+/t15-,17-,18-/m1/s1
SMILES: CC1=CC(=C(C=C1NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)OC)[N+](=O)[O-]
InChI: InChI=1S/C18H19N3O6/c1-10-7-14(21(25)26)15(27-2)8-13(10)19-16(22)9-20-17(23)11-5-3-4-6-12(11)18(20)24/h3-4,7-8,11-12H,5-6,9H2,1-2H3,(H,19,22)/t11-,12-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4C3CC[C@@H](C4)OC(=O)OC
InChI: InChI=1S/C20H26O5/c1-20-8-7-14-13-4-3-12(25-19(23)24-2)9-11(13)10-16(21)18(14)15(20)5-6-17(20)22/h10,12-15,18H,3-9H2,1-2H3/t12-,13?,14+,15-,18+,20-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](OC2=C1C(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C52H46O8/c1-37(53)59-51-49-47(57-35-41-23-13-5-14-24-41)30-44(54-32-38-17-7-2-8-18-38)31-48(49)60-50(52(51)58-36-42-25-15-6-16-26-42)43-27-28-45(55-33-39-19-9-3-10-20-39)46(29-43)56-34-40-21-11-4-12-22-40/h2-31,50-52H,32-36H2,1H3/t50-,51+,52+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=C3CCC4=CC=CC=C4C3=C(C2=S)C#N)C5=CC=CS5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H30N2O9S2/c1-16(35)39-15-24-28(40-17(2)36)29(41-18(3)37)30(42-19(4)38)31(43-24)34-27(25-10-7-13-45-25)22-12-11-20-8-5-6-9-21(20)26(22)23(14-33)32(34)44/h5-10,13,24,28-31H,11-12,15H2,1-4H3/t24-,28-,29+,30-,31-/m1/s1
SMILES: C1=C(C(=NC(=O)N1[C@H]2C([C@H]([C@@H](O2)CO)O)(F)F)N)Br
InChI: InChI=1S/C9H10BrF2N3O4/c10-3-1-15(8(18)14-6(3)13)7-9(11,12)5(17)4(2-16)19-7/h1,4-5,7,16-17H,2H2,(H2,13,14,18)/t4-,5-,7+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
SMILES: C=C[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H26N2O2/c1-2-18-17-28-15-13-20(18)16-24(28)25(30-26(29)19-8-4-3-5-9-19)22-12-14-27-23-11-7-6-10-21(22)23/h2-12,14,18,20,24-25H,1,13,15-17H2/p+1/t18-,20+,24+,25-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H19FN2O5/c1-11(17(24)21-13-6-4-5-12(20)9-13)27-16(23)10-22-18(25)14-7-2-3-8-15(14)19(22)26/h2-6,9,11,14-15H,7-8,10H2,1H3,(H,21,24)/t11-,14+,15+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O
InChI: InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5+,6+,8-/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC=C(C=C2)OC)C(=O)C3=CC(=NC=C3)Cl
InChI: InChI=1S/C23H28ClN3O3/c1-3-17-15-27(23(29)19-8-10-25-21(24)12-19)11-9-18(17)13-22(28)26-14-16-4-6-20(30-2)7-5-16/h4-8,10,12,17-18H,3,9,11,13-15H2,1-2H3,(H,26,28)/t17-,18-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3C[C@@]2(C[C@@H]1OC(=O)[C@@H](CC4=CC=CC=C4)O)C(C)(C)O)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C42H50O12/c1-23-30-21-42(40(6,7)49)22-33(53-39(48)31(46)19-28-15-11-9-12-16-28)24(2)35(42)36(54-38(47)29-17-13-10-14-18-29)37(52-27(5)45)41(30,8)34(51-26(4)44)20-32(23)50-25(3)43/h9-18,30-34,36-37,46,49H,1,19-22H2,2-8H3/t30-,31-,32+,33+,34+,36-,37+,41+,42+/m1/s1
SMILES: C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/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=C4CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CSC6=NC=NN6
InChI: InChI=1S/C39H41N5O6S/c1-25-34(23-51-39-41-24-42-44-39)49-37(50-35(25)29-14-12-27(22-45)13-15-29)30-18-16-28(17-19-30)32-11-7-6-10-31(32)21-40-38(47)43-33(36(46)48-2)20-26-8-4-3-5-9-26/h3-19,24-25,33-35,37,45H,20-23H2,1-2H3,(H2,40,43,47)(H,41,42,44)/t25-,33-,34+,35+,37+/m0/s1
SMILES: CCC1=C2C(=CC=C1)[C@@]3([C@H]4[C@@H]([C@@H](N3)CCSC)C(=O)N(C4=O)C5CCCC5)C(=O)N2
InChI: InChI=1S/C23H29N3O3S/c1-3-13-7-6-10-15-19(13)24-22(29)23(15)18-17(16(25-23)11-12-30-2)20(27)26(21(18)28)14-8-4-5-9-14/h6-7,10,14,16-18,25H,3-5,8-9,11-12H2,1-2H3,(H,24,29)/t16-,17+,18-,23+/m0/s1
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2Cl)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N
InChI: InChI=1S/C22H43ClN6O9/c23-14-18(37-21-9(26)2-1-8(6-25)35-21)10(27)5-11(29-20(34)12(31)3-4-24)19(14)38-22-17(33)15(28)16(32)13(7-30)36-22/h8-19,21-22,30-33H,1-7,24-28H2,(H,29,34)/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-,21+,22+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)O)OC=O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C21H26O6/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(18(25)26,27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,11,14-17,24H,3-4,6,8,10H2,1-2H3,(H,25,26)/t14-,15-,16-,17+,19-,20-,21-/m0/s1
SMILES: CCC[C@@H]1[C@@H]([C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C)C
InChI: InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33+,34-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C22H32N2O4/c1-15-7-5-6-8-18(15)24-19(25)14-28-20(26)13-23-21(27)16-9-11-17(12-10-16)22(2,3)4/h9-12,15,18H,5-8,13-14H2,1-4H3,(H,23,27)(H,24,25)/t15-,18+/m0/s1
SMILES: CC1=CC(=CC=C1)OCC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)COC3=CC=CC(=C3)C
InChI: InChI=1S/C24H30N2O4/c1-17-7-5-9-19(13-17)29-15-23(27)25-21-11-3-4-12-22(21)26-24(28)16-30-20-10-6-8-18(2)14-20/h5-10,13-14,21-22H,3-4,11-12,15-16H2,1-2H3,(H,25,27)(H,26,28)/t21-,22+
SMILES: COC1=CC=C(C=C1)CN2C(=O)C3(CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6CC6)NC2=O
InChI: InChI=1S/C30H36N4O4/c1-38-25-11-7-21(8-12-25)17-34-28(36)30(31-29(34)37)13-15-32(16-14-30)18-24-19-33(27(35)23-9-10-23)20-26(24)22-5-3-2-4-6-22/h2-8,11-12,23-24,26H,9-10,13-20H2,1H3,(H,31,37)/t24-,26+/m0/s1
SMILES: CCO[C@@H]1C=C[C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C29H30O5/c1-3-31-28-20-19-26(33-22(2)30)27(34-28)21-32-29(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-20,26-28H,3,21H2,1-2H3/t26-,27+,28-/m0/s1
SMILES: C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)N
InChI: InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6-,9+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C2)(CC[C@@H](C3(C)C)OC(=O)CC(=O)O)C
InChI: InChI=1S/C33H52O5/c1-29(2)22-10-8-20-19-31(5)15-12-23-30(3,4)26(38-28(37)18-27(35)36)14-17-33(23,7)24(31)11-9-21(20)32(22,6)16-13-25(29)34/h8,21-26,34H,9-19H2,1-7H3,(H,35,36)/t21-,22-,23-,24-,25-,26-,31-,32+,33-/m0/s1
SMILES: CC1=C2C[C@@H](C3=CCC=C([C@@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)O)O)OC)O
InChI: InChI=1S/C25H42O5Si/c1-15-17-13-18(26)16-11-10-12-19(29-7)21(16)22(27)25(28,24(17,5)6)14-20(15)30-31(8,9)23(2,3)4/h11-12,18,20-22,26-28H,10,13-14H2,1-9H3/t18-,20-,21+,22-,25+/m0/s1
SMILES: C/C(=N\O)/C1=CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3([C@@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C21H31NO3/c1-12(22-25)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-25H,5,7-11H2,1-3H3/b22-12+/t14-,15-,17+,18-,19-,20-,21+/m1/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)N([C@@H]2CCN(C[C@H]2C)CC=C)C3=CC=CC=C3
InChI: InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C=C
InChI: InChI=1S/C31H27BrCl2N2O5/c1-4-17-5-7-19(8-6-17)36-26(38)21-10-9-20-22(23(21)27(36)39)13-30(33)28(40)35(14-32)29(41)31(30,34)24(20)18-11-15(2)25(37)16(3)12-18/h4-9,11-12,21-24,37H,1,10,13-14H2,2-3H3/t21-,22+,23-,24-,30+,31-/m0/s1
SMILES: COCO[C@H]1CC[C@H]2[C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@H]4[C@H]3C[C@@H](C4=O)C(=O)OC
InChI: InChI=1S/C21H32O5/c1-24-11-26-13-4-6-14-12(9-13)3-5-16-15(14)7-8-17-18(16)10-19(20(17)22)21(23)25-2/h12-19H,3-11H2,1-2H3/t12-,13+,14+,15-,16-,17-,18+,19+/m1/s1
SMILES: C1[C@@H]([C@H](C(=O)C=C1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5
InChI: InChI=1S/C24H19N3O/c28-23-16-19(17-9-3-1-4-10-17)15-20(18-11-5-2-6-12-18)24(23)27-22-14-8-7-13-21(22)25-26-27/h1-14,16,20,24H,15H2/t20-,24-/m1/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C20H25N3O4/c1-3-14-8-10-15(11-9-14)21-17(24)12-22-18(25)19(26)23(20(22)27)16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,21,24)/t13-,16-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]3[C@@H]([C@@H]2O1)OC(O3)(C)C)CI)C
InChI: InChI=1S/C12H19IO5/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10H,5H2,1-4H3/t6-,7-,8-,9-,10-/m1/s1
SMILES: CC(C)C(=O)[C@H](C1CCC1)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)C3(C)C)C(C)(C)C
InChI: InChI=1S/C31H49N5O6/c1-15(2)23(37)21(17-9-8-10-17)34-29(42)35-25(30(3,4)5)28(41)36-14-18-20(31(18,6)7)22(36)27(40)33-19(13-16-11-12-16)24(38)26(32)39/h15-22,25H,8-14H2,1-7H3,(H2,32,39)(H,33,40)(H2,34,35,42)/t18-,19?,20-,21-,22-,25+/m0/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
InChI: InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11+,13-,14+,15-,16+,20-,21+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]2[C@@H](O[C@]1(O2)C(=O)O)[C@@H](CO)OS(=O)(=O)O)NC(=O)CO)O
InChI: InChI=1S/C11H17NO12S/c13-2-5(24-25(19,20)21)8-9-7(12-6(16)3-14)4(15)1-11(22-8,23-9)10(17)18/h4-5,7-9,13-15H,1-3H2,(H,12,16)(H,17,18)(H,19,20,21)/t4-,5+,7+,8-,9+,11+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CCN([C@H]2CC1=O)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C19H24N2O5/c1-19(2,3)26-18(24)21-14-9-10-20(15(14)11-16(21)22)17(23)25-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1
SMILES: CCOC(=O)/C=C/[C@H](C)[C@@H]1[C@H](C(=O)N1C2=CC=C(C=C2)OC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H39NO5Si/c1-10-30-21(27)16-11-17(2)23-22(18(3)31-32(8,9)25(4,5)6)24(28)26(23)19-12-14-20(29-7)15-13-19/h11-18,22-23H,10H2,1-9H3/b16-11+/t17-,18+,22+,23+/m0/s1
SMILES: CCOC(C)OC(C)(C)C#CC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(/C=C/[C@]34C[C@H]3C[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O)C
InChI: InChI=1S/C46H66O4Si/c1-10-48-35(3)49-43(7,8)26-17-19-34(2)40-24-25-41-44(40,9)27-18-28-46(41,47)30-29-45-32-36(45)31-37(33-45)50-51(42(4,5)6,38-20-13-11-14-21-38)39-22-15-12-16-23-39/h11-16,20-23,29-30,34-37,40-41,47H,10,18-19,24-25,27-28,31-33H2,1-9H3/b30-29+/t34-,35?,36-,37+,40-,41+,44-,45-,46+/m1/s1
SMILES: CC1=CC(=CC2=C1NC(=O)C23[C@H]4[C@@H](C(N3)CCSC)C(=O)N(C4=O)C5CCCC5)Cl
InChI: InChI=1S/C22H26ClN3O3S/c1-11-9-12(23)10-14-18(11)24-21(29)22(14)17-16(15(25-22)7-8-30-2)19(27)26(20(17)28)13-5-3-4-6-13/h9-10,13,15-17,25H,3-8H2,1-2H3,(H,24,29)/t15?,16-,17+,22?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)[C@H]2C[C@@H]([N@+]([C@H]2C3CC3)(C)[O-])CC4=CC=CC=C4
InChI: InChI=1S/C22H27NO2S/c1-16-8-12-20(13-9-16)26(25)21-15-19(14-17-6-4-3-5-7-17)23(2,24)22(21)18-10-11-18/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t19-,21-,22-,23-,26?/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@H]3CN4CCC(CC4)CC5=CC=CC=C5
InChI: InChI=1S/C27H37NO2/c1-19-7-6-12-27(2)17-25-22(16-24(19)27)23(26(29)30-25)18-28-13-10-21(11-14-28)15-20-8-4-3-5-9-20/h3-5,8-9,21-23,25H,6-7,10-18H2,1-2H3/t22-,23+,25-,27-/m1/s1
SMILES: CC(C)[C@@H]([C@@H]1[C@H](NC1=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24N2O3/c1-14(2)18(23-21(25)26-13-15-9-5-3-6-10-15)17-19(22-20(17)24)16-11-7-4-8-12-16/h3-12,14,17-19H,13H2,1-2H3,(H,22,24)(H,23,25)/t17-,18+,19-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@]1(CCCC2=O)C)OCCC(C)(C)O
InChI: InChI=1S/C17H30O3/c1-12(20-11-10-16(2,3)19)13-7-8-14-15(18)6-5-9-17(13,14)4/h12-14,19H,5-11H2,1-4H3/t12-,13+,14+,17+/m0/s1
SMILES: C1C[C@@H]2CC(=O)CC[C@H]2C[C@@H]1N3CCN(CC3)C4=CC=CC=N4
InChI: InChI=1S/C19H27N3O/c23-18-7-5-15-13-17(6-4-16(15)14-18)21-9-11-22(12-10-21)19-3-1-2-8-20-19/h1-3,8,15-17H,4-7,9-14H2/t15-,16+,17+/m0/s1
SMILES: C[C@]12CC=C(C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H41NO2Si/c1-28(2,3)34(6,7)33-22-14-15-29(4)21(17-22)10-11-23-25-13-12-24(20-9-8-16-31-19-20)30(25,5)18-26(32)27(23)29/h8-9,12,14,16-17,19,23,25,27H,10-11,13,15,18H2,1-7H3/t23-,25-,27+,29-,30+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCC3)NC(=O)OC(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)NCC(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)C)C
InChI: InChI=1S/C39H56N6O8/c1-38(2,3)53-37(52)43-30(24-15-11-12-16-24)36(51)45-21-25-28(39(25,4)5)31(45)33(48)41-26(19-22-17-18-22)32(47)34(49)40-20-27(46)42-29(35(50)44(6)7)23-13-9-8-10-14-23/h8-10,13-14,22,24-26,28-31H,11-12,15-21H2,1-7H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t25-,26?,28-,29-,30-,31-/m0/s1