EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1C[C@@H]([C@@]([C@H]2[C@H]1OC(O2)(C)C)(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)C=C
InChI: InChI=1S/C24H45NO5Si/c1-13-17-14-16(2)18-19(29-23(9,10)28-18)24(17,25-20(26)30-21(3,4)5)15-27-31(11,12)22(6,7)8/h13,16-19H,1,14-15H2,2-12H3,(H,25,26)/t16-,17+,18+,19-,24-/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2[C@H](C=C[C@H]3O)O
InChI: InChI=1S/C12H16O2/c13-9-5-6-10(14)12-8-2-1-7(3-4-8)11(9)12/h1-2,5-14H,3-4H2/t7-,8+,9+,10-,11+,12-
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@H]2C(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54)C(=O)O3
InChI: InChI=1S/C21H19NO5/c23-17(22-15-7-3-5-11-4-1-2-6-13(11)15)10-26-20(24)18-12-8-14-16(9-12)27-21(25)19(14)18/h1-7,12,14,16,18-19H,8-10H2,(H,22,23)/t12-,14+,16-,18+,19+/m1/s1
SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H](N2C1)C4=C(C=C(C=C4F)C(=N)N)F)C(=O)N(C3=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C23H21F3N4O2/c24-13-5-3-11(4-6-13)10-30-22(31)18-16-2-1-7-29(16)20(19(18)23(30)32)17-14(25)8-12(21(27)28)9-15(17)26/h3-6,8-9,16,18-20H,1-2,7,10H2,(H3,27,28)/t16-,18-,19-,20-/m0/s1
SMILES: COC1=C(C=CC(=C1)CN2[C@@H]([C@@H](CN(N(C2=O)CC3=CC(=C(C=C3)O)OC)C(=O)CCCC4=CC=CS4)O)CC5=CC=CC=C5)O
InChI: InChI=1S/C35H39N3O7S/c1-44-32-19-25(13-15-29(32)39)21-36-28(18-24-8-4-3-5-9-24)31(41)23-37(34(42)12-6-10-27-11-7-17-46-27)38(35(36)43)22-26-14-16-30(40)33(20-26)45-2/h3-5,7-9,11,13-17,19-20,28,31,39-41H,6,10,12,18,21-23H2,1-2H3/t28-,31-/m1/s1
SMILES: C[C@@H]1[C@@H](C(=O)C2=CC3=C(C=C2[C@H]1C4=CC(=C(C=C4)O)OC)OCO3)C
InChI: InChI=1S/C20H20O5/c1-10-11(2)20(22)14-8-18-17(24-9-25-18)7-13(14)19(10)12-4-5-15(21)16(6-12)23-3/h4-8,10-11,19,21H,9H2,1-3H3/t10-,11+,19-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@@H]2C3=CC(=C(C=C3)Cl)Cl)C[NH3+].[Cl-]
InChI: InChI=1S/C14H17Cl2N.ClH/c15-12-4-3-10(6-13(12)16)14-9-2-1-8(5-9)11(14)7-17;/h3-4,6,8-9,11,14H,1-2,5,7,17H2;1H/t8-,9+,11-,14+;/m1./s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)SSC2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H19NO11S2/c1-6(18)24-5-10-12(25-7(2)19)13(26-8(3)20)11(14(28-10)27-9(4)21)17-15(22)29-30-16(17)23/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=NN(C2=S)CN3CCCCC3)C4=CC=C(C=C4)C(C)(C)C
InChI: InChI=1S/C25H38N4S/c1-19-10-6-7-11-22(19)29-23(20-12-14-21(15-13-20)25(2,3)4)26-28(24(29)30)18-27-16-8-5-9-17-27/h12-15,19,22H,5-11,16-18H2,1-4H3/t19-,22+/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H](CC[C@@]2(C[C@@H]1O)C)C(C)C)O
InChI: InChI=1S/C15H28O2/c1-10(2)12-6-7-14(4)9-13(16)11(3)5-8-15(12,14)17/h10-13,16-17H,5-9H2,1-4H3/t11-,12+,13-,14+,15-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)OC(C(C)C)C(C)C)C)O)F)C)F
InChI: InChI=1S/C31H41F2NO7/c1-16(2)25(17(3)4)40-27(38)41-31(26(37)39-11-10-34)18(5)12-20-21-14-23(32)22-13-19(35)8-9-28(22,6)30(21,33)24(36)15-29(20,31)7/h8-9,13,16-18,20-21,23-25,36H,11-12,14-15H2,1-7H3/t18-,20+,21+,23+,24+,28+,29+,30+,31+/m1/s1
SMILES: CCOC(=O)OC1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)OCCl
InChI: InChI=1S/C25H32ClFO7/c1-5-32-21(31)34-25(20(30)33-13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17+,18+,19+,22+,23+,24?,25?/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C
InChI: InChI=1S/C22H30N2O4/c1-14-7-9-18(10-8-14)23-20(25)13-28-22(27)17-11-21(26)24(12-17)19-6-4-5-15(2)16(19)3/h7-10,15-17,19H,4-6,11-13H2,1-3H3,(H,23,25)/t15-,16-,17+,19+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]3[C@H]([C@@H](C4=CC=CC=C4O3)C5C(=O)N(C(=S)N(C5=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)C(=O)N(C2=S)C8=CC=C(C=C8)C
InChI: InChI=1S/C43H36N4O4S2/c1-25-9-17-29(18-10-25)44-38(48)36(39(49)45(42(44)52)30-19-11-26(2)12-20-30)35-33-7-5-6-8-34(33)51-41-37(35)40(50)46(31-21-13-27(3)14-22-31)43(53)47(41)32-23-15-28(4)16-24-32/h5-24,35-37,41H,1-4H3/t35-,37+,41+/m0/s1
SMILES: CN1[C@H]([C@@H]2[C@H](O1)C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=COC5=CC=CC=C5C4=O
InChI: InChI=1S/C23H18ClF3N4O5/c1-30-17(13-10-35-15-5-3-2-4-12(15)18(13)32)16-19(36-30)22(34)31(21(16)33)7-6-28-20-14(24)8-11(9-29-20)23(25,26)27/h2-5,8-10,16-17,19H,6-7H2,1H3,(H,28,29)/t16-,17+,19+/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@H](N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO/c24-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23(22)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21-/m1/s1
SMILES: COC(=O)[C@]1(C[C@]1(C2=CC=C(C=C2)Cl)C(=C)C3=CC=C(C=C3)Cl)S(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H20Cl2O3S/c1-17(18-8-12-20(26)13-9-18)24(19-10-14-21(27)15-11-19)16-25(24,23(28)30-2)31(29)22-6-4-3-5-7-22/h3-15H,1,16H2,2H3/t24-,25+,31?/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)O)O
InChI: InChI=1S/C26H26O11/c1-10-21(30)14(28)6-17(36-10)37-15-8-26(35,16(29)9-27)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,27-28,30,33-35H,6-9H2,1H3/t10-,14-,15-,17-,21+,26-/m0/s1
SMILES: CC1=CC=CC=C1C(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H23N3O4/c1-12-6-2-3-7-13(12)17(24)21-20-16(23)10-11-22-18(25)14-8-4-5-9-15(14)19(22)26/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15-/m0/s1
SMILES: COCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
InChI: InChI=1S/C16H23F3N5O8PS.2Na/c1-30-4-3-20-12-9-13(23-15(22-12)34-5-2-16(17,18)19)24(7-21-9)14-11(26)10(25)8(32-14)6-31-33(27,28)29;;/h7-8,10-11,14,25-26H,2-6H2,1H3,(H,20,22,23)(H2,27,28,29);;/q;2*+1/p-2/t8-,10-,11-,14-;;/m1../s1
SMILES: C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)[C@]12CC[C@]3([C@]1(O2)C[C@@H](C4[C@@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)O)C
InChI: InChI=1S/C30H50O6/c1-17(15-18(31)23(34)25(4,5)35)29-14-13-28(8)27(7)12-9-20-24(2,3)21(33)10-11-26(20,6)22(27)19(32)16-30(28,29)36-29/h17-20,22-23,31-32,34-35H,9-16H2,1-8H3/t17-,18+,19+,20?,22?,23-,26+,27+,28-,29-,30-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)NC7=O
InChI: InChI=1S/C32H25ClFN3O5/c33-18-5-3-17(4-6-18)32-25(30(41)37(31(32)42)36-20-9-7-19(34)8-10-20)15-24-22(27(32)16-1-11-21(38)12-2-16)13-14-23-26(24)29(40)35-28(23)39/h1-13,23-27,36,38H,14-15H2,(H,35,39,40)/t23-,24+,25-,26-,27-,32+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O5/c21-15(18-13-7-3-4-8-14(13)20(24)25)9-10-19-16(22)11-5-1-2-6-12(11)17(19)23/h1-4,7-8,11-12H,5-6,9-10H2,(H,18,21)/t11-,12-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4C[C@H](O[C@@H](C4)C)C)C
InChI: InChI=1S/C21H33NO3/c1-13-6-5-7-21(4)9-19-16(8-18(13)21)17(20(23)25-19)12-22-10-14(2)24-15(3)11-22/h8,13-17,19H,5-7,9-12H2,1-4H3/p+1/t13-,14+,15+,16+,17-,19+,21+/m0/s1
SMILES: COC1=C(C=C2C(=C1)[C@@H]([C@@H](C2=O)Br)NC(=O)C(F)(F)F)OC
InChI: InChI=1S/C13H11BrF3NO4/c1-21-7-3-5-6(4-8(7)22-2)11(19)9(14)10(5)18-12(20)13(15,16)17/h3-4,9-10H,1-2H3,(H,18,20)/t9-,10-/m0/s1
SMILES: CC(=O)O[C@@]1(CN2C(=O)C3=CC=CC=C3C(=O)N2C[C@@]1(C)OC(=O)C)C
InChI: InChI=1S/C18H20N2O6/c1-11(21)25-17(3)9-19-15(23)13-7-5-6-8-14(13)16(24)20(19)10-18(17,4)26-12(2)22/h5-8H,9-10H2,1-4H3/t17-,18-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CN(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C37H40N2O6/c1-26-33(24-39(22-27-9-4-2-5-10-27)23-28-11-6-3-7-12-28)44-37(45-36(26)30-17-15-29(25-40)16-18-30)31-13-8-14-32(21-31)38-34(41)19-20-35(42)43/h2-18,21,26,33,36-37,40H,19-20,22-25H2,1H3,(H,38,41)(H,42,43)/t26-,33+,36+,37+/m0/s1
SMILES: CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
InChI: InChI=1S/C27H38N2O9/c1-6-7-8-10-19-24(38-21(31)13-15(2)3)17(5)37-27(35)22(16(4)36-26(19)34)29-25(33)18-11-9-12-20(23(18)32)28-14-30/h9,11-12,14-17,19,22,24,32H,6-8,10,13H2,1-5H3,(H,28,30)(H,29,33)/t16-,17+,19+,22-,24-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)C[NH+](C)CC3=CC=C(C=C3)N4CCCCC4
InChI: InChI=1S/C23H34N4O2/c1-18-8-4-5-13-23(18)21(28)27(22(29)24-23)17-25(2)16-19-9-11-20(12-10-19)26-14-6-3-7-15-26/h9-12,18H,3-8,13-17H2,1-2H3,(H,24,29)/p+1/t18-,23-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](C3=C(C=C(C=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@@H]2C6=CC(=C(C=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)CC(=O)OCC9=CC=CC=C9
InChI: InChI=1S/C59H52O8/c60-56(65-41-47-27-15-5-16-28-47)36-51-57-54(64-40-46-25-13-4-14-26-46)34-50(61-37-43-19-7-1-8-20-43)35-55(57)67-58(59(51)66-42-48-29-17-6-18-30-48)49-31-32-52(62-38-44-21-9-2-10-22-44)53(33-49)63-39-45-23-11-3-12-24-45/h1-35,51,58-59H,36-42H2/t51-,58+,59+/m0/s1
SMILES: CC(=O)NC1=C(C(=C(C2=C1[C@@]([C@H]3C[C@H]4CC(=O)C(C(=O)[C@]4(C(=O)C3C2=O)O)C(=O)N)(C)O)O)NC(=O)C)Cl
InChI: InChI=1S/C24H24ClN3O10/c1-6(29)27-16-14-13(19(33)17(15(16)25)28-7(2)30)18(32)11-9(23(14,3)37)4-8-5-10(31)12(22(26)36)21(35)24(8,38)20(11)34/h8-9,11-12,33,37-38H,4-5H2,1-3H3,(H2,26,36)(H,27,29)(H,28,30)/t8-,9-,11?,12?,23-,24-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@@H]3CCN([C@@H]3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)CCCC(=O)[O-]
InChI: InChI=1S/C26H26F3N3O6/c1-38-19-10-8-16(9-11-19)15-31-20-12-13-30(21(33)6-3-7-22(34)35)23(20)24(36)32(25(31)37)18-5-2-4-17(14-18)26(27,28)29/h2,4-5,8-11,14,20,23H,3,6-7,12-13,15H2,1H3,(H,34,35)/p-1/t20-,23+/m1/s1
SMILES: CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CC=CC=C2OCC(=O)N)C(=O)OCC
InChI: InChI=1S/C18H23N3O4S/c1-3-7-12-15(17(23)24-4-2)16(21-18(26)20-12)11-8-5-6-9-13(11)25-10-14(19)22/h5-9,15-16H,3-4,10H2,1-2H3,(H2,19,22)(H2,20,21,26)/b12-7+/t15-,16+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)C(C[C@@]([C@@H]([C@H](C(C(C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)C(CO2)CSCC4=CC=NC=C4)C
InChI: InChI=1S/C39H64N2O9S/c1-12-30-39(8)31(28(19-47-39)21-51-20-27-13-15-40-16-14-27)24(4)32(42)22(2)18-38(7,46-11)35(25(5)33(43)26(6)36(45)49-30)50-37-34(44)29(41(9)10)17-23(3)48-37/h13-16,22-26,28-31,33-35,37,43-44H,12,17-21H2,1-11H3/t22?,23-,24?,25+,26?,28?,29+,30-,31-,33?,34-,35-,37+,38-,39-/m1/s1
SMILES: CC\1([C@H]2C=CC=C[C@@H]2[NH+](/C1=C/C=NC[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O)C)C
InChI: InChI=1S/C21H25N3O3/c1-21(2)17-6-4-5-7-18(17)23(3)20(21)12-13-22-14-19(25)15-8-10-16(11-9-15)24(26)27/h4-13,17-19,25H,14H2,1-3H3/p+1/b20-12+,22-13?/t17-,18-,19-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2N)C3=CN(C4=CC=CC=C43)C(=O)C)CCOCCOCCO
InChI: InChI=1S/C30H37N3O7/c1-3-39-30-22(12-14-37-16-17-38-15-13-34)23(24-19-33(20(2)35)27-11-7-4-8-21(24)27)18-28(40-30)29(36)32-26-10-6-5-9-25(26)31/h4-11,18-19,22-23,30,34H,3,12-17,31H2,1-2H3,(H,32,36)/t22-,23-,30+/m0/s1
SMILES: CCON=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)C=O)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCCCl
InChI: InChI=1S/C50H57ClN2O9/c1-3-26-59-50-46(53(49(57)58-27-23-51)32-37-17-12-16-35-14-5-6-19-40(35)37)31-44(52-60-4-2)42-29-36(15-7-9-24-54)41(20-8-10-25-55)47(48(42)50)43-30-39(21-22-45(43)62-50)61-38-18-11-13-34(28-38)33-56/h3,5-6,11-14,16-19,21-22,28-30,33,36,41,46-48,54-55H,1,4,7-10,15,20,23-27,31-32H2,2H3/t36-,41+,46-,47+,48+,50+/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1C[C@](C(=O)[C@@H]([C@@H]1C2=CC=C(C=C2)N(C)C)C(=O)OC(C)C)(C)O
InChI: InChI=1S/C23H33NO6/c1-13(2)29-21(26)17-12-23(5,28)20(25)19(22(27)30-14(3)4)18(17)15-8-10-16(11-9-15)24(6)7/h8-11,13-14,17-19,28H,12H2,1-7H3/t17-,18-,19-,23+/m1/s1
SMILES: C1CCC(CC1)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C22H25NO4/c24-20-18-13-9-10-14(11-13)19(18)21(25)23(20)16-6-4-5-15(12-16)22(26)27-17-7-2-1-3-8-17/h4-6,12-14,17-19H,1-3,7-11H2/t13-,14+,18-,19+
SMILES: CC1=CC(=CC=C1)CNC(=O)N[C@@H]2CC[C@]3(CCN([C@H]3C2)C)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C26H35N3O3.C2HF3O2/c1-18-6-5-7-19(14-18)17-27-25(30)28-21-10-11-26(12-13-29(2)24(26)16-21)20-8-9-22(31-3)23(15-20)32-4;3-2(4,5)1(6)7/h5-9,14-15,21,24H,10-13,16-17H2,1-4H3,(H2,27,28,30);(H,6,7)/t21-,24+,26+;/m1./s1
SMILES: CC1(O[C@@H]2[C@@H]([C@@H](O[C@@H]2O1)[C@@H](COC(=O)C3=CC=CC=C3)O)O)C
InChI: InChI=1S/C16H20O7/c1-16(2)22-13-11(18)12(21-15(13)23-16)10(17)8-20-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3/t10-,11-,12+,13-,15-/m1/s1
SMILES: CC1=CC2=C[N+](=NN2C=C1)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)SC3)C(=O)[O-]
InChI: InChI=1S/C21H20N8O5S2/c1-10-3-4-28-12(5-10)7-27(26-28)6-11-8-35-19-15(18(31)29(19)16(11)20(32)33)24-17(30)14(25-34-2)13-9-36-21(22)23-13/h3-5,7,9,15,19H,6,8H2,1-2H3,(H3-,22,23,24,30,32,33)/b25-14-/t15-,19-/m1/s1
SMILES: C[NH+](CC1=C(C=CC(=C1)Br)OC)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H21BrN2O3/c1-20(10-12-9-13(19)7-8-16(12)24-2)11-21-17(22)14-5-3-4-6-15(14)18(21)23/h3-4,7-9,14-15H,5-6,10-11H2,1-2H3/p+1/t14-,15-/m0/s1
SMILES: CC(C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)C2C(CN2)CCC3CCC3)Cl
InChI: InChI=1S/C19H33ClN2O5S/c1-9(20)12(17-15(24)14(23)16(25)19(27-17)28-2)22-18(26)13-11(8-21-13)7-6-10-4-3-5-10/h9-17,19,21,23-25H,3-8H2,1-2H3,(H,22,26)/t9?,11?,12?,13?,14-,15+,16+,17+,19+/m0/s1
SMILES: C[C@H](CC1C(CCN1C)C(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4C3=CCC5[C@@]4(CC[C@H](C5)N)C)C
InChI: InChI=1S/C30H52N2/c1-19(2)23-13-16-32(6)28(23)17-20(3)25-9-10-26-24-8-7-21-18-22(31)11-14-29(21,4)27(24)12-15-30(25,26)5/h8,19-23,25-28H,7,9-18,31H2,1-6H3/t20-,21?,22-,23?,25-,26+,27+,28?,29+,30-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=C3C(=NN2)C(=NC=N3)N)CO)O
InChI: InChI=1S/C11H15N5O4/c1-19-10-8(18)4(2-17)20-9(10)6-5-7(16-15-6)11(12)14-3-13-5/h3-4,8-10,17-18H,2H2,1H3,(H,15,16)(H2,12,13,14)/t4-,8-,9+,10-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C[Se]C4=CC=CC=C4)O)OCOCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)N)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C43H60N2O11SeSi/c1-42(2,3)58(6,7)56-37-33(44)39(52-31-25-51-43(4,5)55-36(31)37)54-40-34(45-41(47)49-24-29-19-13-9-14-20-29)38(50-27-48-23-28-17-11-8-12-18-28)35(46)32(53-40)26-57-30-21-15-10-16-22-30/h8-22,31-40,46H,23-27,44H2,1-7H3,(H,45,47)/t31-,32-,33-,34-,35+,36-,37-,38-,39-,40+/m1/s1
SMILES: CC1=C2[C@H]3[C@@H](CC2=CC=C1)/C(=C\O[C@H]4C=C(C(=O)O4)C)/C(=O)O3
InChI: InChI=1S/C18H16O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h3-6,8,12,14,16H,7H2,1-2H3/b13-8+/t12-,14+,16+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCCCCCCCCCCCCCC
InChI: InChI=1S/C49H88N2O12/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-44(56)51-42(48(57)50-35-33-31-29-27-25-20-18-16-14-12-10-8-2)36-59-49-47(62-41(6)55)46(61-40(5)54)45(60-39(4)53)43(63-49)37-58-38(3)52/h42-43,45-47,49H,7-37H2,1-6H3,(H,50,57)(H,51,56)/t42-,43+,45-,46-,47+,49+/m0/s1
SMILES: CC1=CC[C@@]2([C@H](C1)C(=O)N(C3=CC=CC=C32)C)C(=O)C
InChI: InChI=1S/C17H19NO2/c1-11-8-9-17(12(2)19)13-6-4-5-7-15(13)18(3)16(20)14(17)10-11/h4-8,14H,9-10H2,1-3H3/t14-,17-/m1/s1
SMILES: C[C@@H](C(=O)NC(=O)N)OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C15H19N3O6/c1-8(12(20)17-15(16)23)24-11(19)6-7-18-13(21)9-4-2-3-5-10(9)14(18)22/h2-3,8-10H,4-7H2,1H3,(H3,16,17,20,23)/t8-,9-,10+/m0/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)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11-,12+/m0/s1
SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N[C@H]3COC[C@@H](N4C[C@@H]3N[C@@H](C4=O)CCCNC(=O)OCC5=CC=CC=C5)CC6=CC=C(C=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C45H51N5O7/c1-54-44(52)40(24-34-25-47-38-16-9-8-15-37(34)38)49-42-30-55-29-35(23-31-18-20-36(21-19-31)56-27-32-11-4-2-5-12-32)50-26-41(42)48-39(43(50)51)17-10-22-46-45(53)57-28-33-13-6-3-7-14-33/h2-9,11-16,18-21,25,35,39-42,47-49H,10,17,22-24,26-30H2,1H3,(H,46,53)/t35-,39+,40-,41-,42-/m0/s1
SMILES: C1=CC(=CC(=C1)Cl)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C12H15ClO6/c13-6-2-1-3-7(4-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m0/s1
SMILES: CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3
InChI: InChI=1S/C19H18N6/c1-2-25-7-5-14-15(8-20)18(23)19(11-21,12-22)17(16(14)10-25)13-4-3-6-24-9-13/h3-6,9,16-17H,2,7,10,23H2,1H3/t16-,17+/m0/s1
SMILES: C1C=CN(C=C1C(=O)N)[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)OP(=O)([O-])[O-])O)O)O.[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C21H30N7O17P3.4Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4/t10-,11-,13-,14+,15-,16-,20+,21-;;;;/m0..../s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]2[C@H]([C@@H](O1)OC)N(C(=O)O2)C(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C45H59NO12Si/c1-28(2)45(4,5)59(7,8)53-27-34-36(38-35(42(49-6)54-34)46(29(3)47)44(48)58-38)57-43-40(51-25-31-20-14-10-15-21-31)39(50-24-30-18-12-9-13-19-30)37-33(55-43)26-52-41(56-37)32-22-16-11-17-23-32/h9-23,28,33-43H,24-27H2,1-8H3/t33-,34-,35-,36-,37+,38-,39+,40-,41+,42-,43-/m1/s1
SMILES: C[C@H]1C=CC[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C
InChI: InChI=1S/C17H17NO4/c1-10-4-3-5-14-15(10)17(21)18(16(14)20)12-6-8-13(9-7-12)22-11(2)19/h3-4,6-10,14-15H,5H2,1-2H3/t10-,14+,15-/m0/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O)C
InChI: InChI=1S/C16H17Cl2NO3/c1-8-5-11(12(16(21)22)6-9(8)2)15(20)19-14-4-3-10(17)7-13(14)18/h3-4,7,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)/t11-,12+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(C)C
InChI: InChI=1S/C21H32N2O5S/c1-15(2)17-8-10-18(11-9-17)29(26,27)22-13-12-21(25)28-14-20(24)23-19-7-5-4-6-16(19)3/h8-11,15-16,19,22H,4-7,12-14H2,1-3H3,(H,23,24)/t16-,19-/m1/s1
SMILES: COC(=O)C1CC(=NO1)C(C2=CC=CC=C2)C(=O)N[C@@H]3C=CCC[C@H]3O[Si](C)(C)C
InChI: InChI=1S/C22H30N2O5Si/c1-27-22(26)19-14-17(24-28-19)20(15-10-6-5-7-11-15)21(25)23-16-12-8-9-13-18(16)29-30(2,3)4/h5-8,10-12,16,18-20H,9,13-14H2,1-4H3,(H,23,25)/t16-,18-,19?,20?/m1/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)I)O)O
InChI: InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
SMILES: C[C@H]([C@H]([C@@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)O)C(C)C
InChI: InChI=1S/C28H48O6/c1-14(2)15(3)24(32)25(33)28(6,34)23-8-7-17-16-11-20(29)19-12-21(30)22(31)13-27(19,5)18(16)9-10-26(17,23)4/h14-19,21-25,30-34H,7-13H2,1-6H3/t15-,16-,17-,18-,19+,21-,22+,23-,24+,25-,26-,27+,28+/m0/s1
SMILES: COC(=O)/C(=C\1/[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=C(C1=O)Cl)Cl)/Cl
InChI: InChI=1S/C14H13Cl3O3/c1-20-14(19)11(16)9-7-5-2-3-6(4-5)8(7)10(15)12(17)13(9)18/h5-8H,2-4H2,1H3/b11-9+/t5-,6+,7+,8-/m1/s1
SMILES: CCCCOC(=O)/C=C\[C@H]1[C@H](C1(C)C)C(=O)O[C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3
InChI: InChI=1S/C27H28FNO5/c1-4-5-15-32-24(30)14-12-20-25(27(20,2)3)26(31)34-23(17-29)18-11-13-21(28)22(16-18)33-19-9-7-6-8-10-19/h6-14,16,20,23,25H,4-5,15H2,1-3H3/b14-12-/t20-,23+,25-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C20H30N2O2/c1-23-18-5-6-20(24-2)17(13-18)14-21-7-9-22(10-8-21)19-12-15-3-4-16(19)11-15/h5-6,13,15-16,19H,3-4,7-12,14H2,1-2H3/p+2/t15-,16+,19+/m0/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1[C@H](C[C@H](O[C@H]1SC2=CC=CC=C2)COCC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C24H29N3O4S/c1-24(2,3)23(28)31-21-20(26-27-25)14-18(16-29-15-17-10-6-4-7-11-17)30-22(21)32-19-12-8-5-9-13-19/h4-13,18,20-22H,14-16H2,1-3H3/t18-,20-,21+,22-/m0/s1
SMILES: C1[C@H]([C@@H](CC2=C1C=CC=C2NC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F)O)O
InChI: InChI=1S/C21H18F3N3O2/c22-21(23,24)14-6-4-12(5-7-14)17-10-20(26-11-25-17)27-16-3-1-2-13-8-18(28)19(29)9-15(13)16/h1-7,10-11,18-19,28-29H,8-9H2,(H,25,26,27)/t18-,19-/m1/s1
SMILES: C/C(=C\CC[C@]12CCC[C@H](O1)CO2)/CC[C@@H]3[C@H](O3)CO
InChI: InChI=1S/C16H26O4/c1-12(6-7-14-15(10-17)19-14)4-2-8-16-9-3-5-13(20-16)11-18-16/h4,13-15,17H,2-3,5-11H2,1H3/b12-4+/t13-,14+,15+,16+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)C(=C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H29NO11/c1-16(32)38-15-22-26(39-17(2)33)27(40-18(3)34)25(30(42-22)41-19(4)35)31-28(36)23(20-11-7-5-8-12-20)24(29(31)37)21-13-9-6-10-14-21/h5-14,22,25-27,30H,15H2,1-4H3/t22-,25-,26-,27-,30-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN(C)[C@@H](C)[C@@H](C6=CC=CC=C6)O
InChI: InChI=1S/C43H48F3N3O6/c1-27-37(25-48(3)28(2)38(51)31-11-5-4-6-12-31)54-41(55-39(27)32-19-17-29(26-50)18-20-32)35-15-8-14-34(23-35)33-13-7-10-30(22-33)24-47-40(52)36-16-9-21-49(36)42(53)43(44,45)46/h4-8,10-15,17-20,22-23,27-28,36-39,41,50-51H,9,16,21,24-26H2,1-3H3,(H,47,52)/t27-,28-,36-,37+,38-,39+,41+/m0/s1
SMILES: CC(=O)N[C@H]1C[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)(COC(=O)C)O
InChI: InChI=1S/C17H25NO10/c1-8(19)18-13-6-17(24,7-25-9(2)20)16(28-12(5)23)15(27-11(4)22)14(13)26-10(3)21/h13-16,24H,6-7H2,1-5H3,(H,18,19)/t13-,14-,15+,16-,17-/m0/s1
SMILES: CC1=C[C@H]2[C@@H]([C@@H]([C@@H]1SC3=CC=CC=C3)OC)C(=O)N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO3S/c1-14-13-17-18(19(26-2)20(14)27-16-11-7-4-8-12-16)22(25)23(21(17)24)15-9-5-3-6-10-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)O)CC=C3[C@]2(CC[C@@]4([C@H]3C[C@](CC4)(C)C(=O)O)C)C)C
InChI: InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,26+,27+,28-,29+,30+/m0/s1
SMILES: C[C@@H](C(=O)N1C[C@H]([C@](C1)(C)[C@@H](C)O)C2=CC(=C(C=C2)OC)OCC3CC3)O
InChI: InChI=1S/C21H31NO5/c1-13(23)20(25)22-10-17(21(3,12-22)14(2)24)16-7-8-18(26-4)19(9-16)27-11-15-5-6-15/h7-9,13-15,17,23-24H,5-6,10-12H2,1-4H3/t13-,14+,17-,21-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NCCC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H23Cl2N3O3/c1-12-4-2-3-8-19(12)17(26)24(18(27)23-19)11-16(25)22-9-7-13-5-6-14(20)10-15(13)21/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,22,25)(H,23,27)/t12-,19+/m0/s1
SMILES: CC(=O)OC1CCC[C@@H]([C@]1(CCN(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C)COCOC)CCOCOC
InChI: InChI=1S/C27H53NO10SSi/c1-22(29)37-24-12-10-11-23(13-16-35-20-33-5)27(24,19-36-21-34-6)14-15-28(25(30)38-26(2,3)4)39(31,32)17-18-40(7,8)9/h23-24H,10-21H2,1-9H3/t23-,24?,27+/m1/s1
SMILES: C1=CC=C(C(=C1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
InChI: InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
SMILES: CCCCC[C@H]1[C@H]2C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@]([C@H]2O[Si](CC)(CC)CC)(OCO1)C)/C)[C@@H](C)[C@H]([C@H](C)C(=O)C)O[Si](C)(C)C(C)(C)C)OC)/C
InChI: InChI=1S/C45H80O8Si2/c1-17-21-22-25-38-37-29-32(5)24-23-26-39(48-14)42(35(8)41(34(7)36(9)46)52-54(15,16)44(10,11)12)51-40(47)28-27-33(6)30-45(13,50-31-49-38)43(37)53-55(18-2,19-3)20-4/h23-24,26-28,30,34-35,37-39,41-43H,17-22,25,29,31H2,1-16H3/b26-23+,28-27+,32-24+,33-30+/t34-,35+,37-,38+,39+,41+,42-,43+,45+/m1/s1
SMILES: COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O
InChI: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
SMILES: C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)/C(=N/OCCF)/C3=CSC(=N3)N)C(=O)O)SC4=NC5=C(S4)C=CN=C5
InChI: InChI=1S/C21H18FN7O5S3/c22-4-6-34-28-14(10-8-35-20(23)25-10)17(30)27-15-11-1-2-13(16(19(32)33)29(11)18(15)31)37-21-26-9-7-24-5-3-12(9)36-21/h3,5,7-8,11,15H,1-2,4,6H2,(H2,23,25)(H,27,30)(H,32,33)/b28-14+/t11-,15+/m1/s1
SMILES: CCCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC=C(C[C@@H]2C1=O)Cl
InChI: InChI=1S/C14H18ClNO4/c1-2-3-4-11(14(19)20)16-12(17)9-6-5-8(15)7-10(9)13(16)18/h5,9-11H,2-4,6-7H2,1H3,(H,19,20)/p-1/t9-,10+,11-/m1/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-]
InChI: InChI=1S/C14H13ClN2O5/c15-11-7-8(17(21)22)5-6-12(11)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,16,18)(H,19,20)/p-1/t9-,10+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C
InChI: InChI=1S/C20H30N2O5S/c1-13-7-6-8-18(14(13)2)21-19(23)15(3)27-20(24)16-9-11-17(12-10-16)28(25,26)22(4)5/h9-15,18H,6-8H2,1-5H3,(H,21,23)/t13-,14-,15-,18+/m1/s1