EdisonScientific/glyph-datasets huggingface dataset:
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)NC56CC7CC(C5)CC(C7)C6)CN(C)CC8=CC=CC=C8
InChI: InChI=1S/C45H53N3O4/c1-30-41(28-48(2)27-31-8-4-3-5-9-31)51-43(52-42(30)37-16-14-32(29-49)15-17-37)40-13-7-12-39(22-40)38-11-6-10-33(21-38)26-46-44(50)47-45-23-34-18-35(24-45)20-36(19-34)25-45/h3-17,21-22,30,34-36,41-43,49H,18-20,23-29H2,1-2H3,(H2,46,47,50)/t30-,34?,35?,36?,41+,42+,43+,45?/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCCOC2=C(C=C(C=C2)Cl)Cl)OC)O)O
InChI: InChI=1S/C16H21Cl2NO7/c1-8(20)19-12-13(21)14(22)16(23-2)26-15(12)25-6-5-24-11-4-3-9(17)7-10(11)18/h3-4,7,12-16,21-22H,5-6H2,1-2H3,(H,19,20)/t12-,13-,14-,15+,16+/m1/s1
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@H]([C@@H]([C@@H]6[C@H]5O6)O)O)C=C2
InChI: InChI=1S/C20H14O3/c21-17-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19+,20-/m1/s1
SMILES: C[C@H]1[C@@H](OC2(O1)CC([C@](C(=C2)C)(C#C/C(=C\CO)/C)O)(C)C)C
InChI: InChI=1S/C19H28O4/c1-13(8-10-20)7-9-19(21)14(2)11-18(12-17(19,5)6)22-15(3)16(4)23-18/h8,11,15-16,20-21H,10,12H2,1-6H3/b13-8-/t15-,16-,19+/m0/s1
SMILES: C1[C@@H]([C@@H]1C(=O)N/N=C\C2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4
InChI: InChI=1S/C18H15BrN2O3/c19-15-8-17-16(23-10-24-17)6-12(15)9-20-21-18(22)14-7-13(14)11-4-2-1-3-5-11/h1-6,8-9,13-14H,7,10H2,(H,21,22)/b20-9-/t13-,14-/m1/s1
SMILES: COC(=O)[C@H]1C[C@@H]2[C@H](N1C(=O)OCC3=CC=CC=C3)NC4=CC=CC=C24
InChI: InChI=1S/C20H20N2O4/c1-25-19(23)17-11-15-14-9-5-6-10-16(14)21-18(15)22(17)20(24)26-12-13-7-3-2-4-8-13/h2-10,15,17-18,21H,11-12H2,1H3/t15-,17+,18-/m0/s1
SMILES: CCC[C@]1(CC[C@@H]([C@@H]2N1[C@@H](CO2)C3=CC=CC=C3)OCC4=CC=CC=C4)C#N
InChI: InChI=1S/C24H28N2O2/c1-2-14-24(18-25)15-13-22(27-16-19-9-5-3-6-10-19)23-26(24)21(17-28-23)20-11-7-4-8-12-20/h3-12,21-23H,2,13-17H2,1H3/t21-,22-,23+,24-/m0/s1
SMILES: COC1=C(C=C2[C@@H]([C@H]3COC(=O)[C@@H]3CC2=C1)C4=CC(=C(C=C4)O)OC)O
InChI: InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)NCCCNCCCCN)C
InChI: InChI=1S/C34H63N3O/c1-24(2)10-8-11-25(3)28-12-13-29-32-30(15-17-34(28,29)5)33(4)16-14-27(38)22-26(33)23-31(32)37-21-9-20-36-19-7-6-18-35/h23-25,27-32,36-38H,6-22,35H2,1-5H3/t25-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](O1)NCCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C13H19NO4/c15-10-8-18-13(12(17)11(10)16)14-7-6-9-4-2-1-3-5-9/h1-5,10-17H,6-8H2/t10-,11-,12+,13+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI: InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+;;/m1../s1
SMILES: CCN(CC)C1=CC2=C(C=C1)[C@H]3[C@@H]([C@@H]([C@H]3C(=O)O2)C4=CC=CC=C4)/C=C/C5=CC=CC=C5
InChI: InChI=1S/C29H29NO2/c1-3-30(4-2)22-16-18-23-25(19-22)32-29(31)28-26(21-13-9-6-10-14-21)24(27(23)28)17-15-20-11-7-5-8-12-20/h5-19,24,26-28H,3-4H2,1-2H3/b17-15+/t24-,26+,27+,28-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@H](O2)CCC#N)CO)O)C
InChI: InChI=1S/C13H21NO5/c1-13(2)17-7-10-12(19-13)11(16)8(6-15)9(18-10)4-3-5-14/h8-12,15-16H,3-4,6-7H2,1-2H3/t8-,9-,10-,11-,12-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)O4
InChI: InChI=1S/C15H12ClNO3/c1-7-8(16)3-2-4-9(7)17-14(18)12-10-5-6-11(20-10)13(12)15(17)19/h2-6,10-13H,1H3/t10-,11+,12+,13-
SMILES: CCOC1=CC=CC(=C1O)[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)I
InChI: InChI=1S/C29H24BrCl2IN2O6/c1-2-41-20-5-3-4-18(23(20)36)22-16-10-11-17-21(25(38)35(24(17)37)15-8-6-14(33)7-9-15)19(16)12-28(31)26(39)34(13-30)27(40)29(22,28)32/h3-10,17,19,21-22,36H,2,11-13H2,1H3/t17-,19+,21-,22+,28+,29-/m0/s1
SMILES: CN(C)CC1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C19H25N5O5/c1-23(2)8-13-9-24(22-21-13)15-10-27-18-16(11-28-17(15)18)29-19(25)20-12-4-6-14(26-3)7-5-12/h4-7,9,15-18H,8,10-11H2,1-3H3,(H,20,25)/t15-,16+,17+,18+/m0/s1
SMILES: C1C=C[C@H]2N1C(=O)[C@H]([C@@H]2COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C22H23NO3/c24-22-21(26-15-18-10-5-2-6-11-18)19(20-12-7-13-23(20)22)16-25-14-17-8-3-1-4-9-17/h1-12,19-21H,13-16H2/t19-,20-,21+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C(=CC=C8)OC)O)C(=O)N(C7=O)N(C)C9=C(C=CC(=N9)C(F)(F)F)Cl)C
InChI: InChI=1S/C42H35Cl2F3N6O6S/c1-18-23-15-19(43)9-13-29(23)60-35(18)27-17-31(50(3)49-27)52-38(56)25-16-24-20(33(41(25,2)40(52)58)22-7-6-8-28(59-5)34(22)54)10-11-21-32(24)39(57)53(37(21)55)51(4)36-26(44)12-14-30(48-36)42(45,46)47/h6-10,12-15,17,21,24-25,32-33,54H,11,16H2,1-5H3/t21-,24+,25-,32-,33+,41+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C(OC2=CC(=C3C(=C12)N(C4=CC=CC=C4C3=O)C)OC)(C)C)OC(=O)C
InChI: InChI=1S/C24H25NO7/c1-12(26)30-22-19-17(32-24(3,4)23(22)31-13(2)27)11-16(29-6)18-20(19)25(5)15-10-8-7-9-14(15)21(18)28/h7-11,22-23H,1-6H3/t22-,23-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29?,30-,31+,32-,34+,35-,36-,37-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCCN)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C43H87NO22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-35(45)61-37(62-36(46)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-60-70(58,59-33-29-32-44)66-40-38(47)41(63-67(49,50)51)43(65-69(55,56)57)42(39(40)48)64-68(52,53)54/h37-43,47-48H,3-34,44H2,1-2H3,(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)/t38-,39-,40?,41-,42+,43?,70?/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1OCC2=CC=CC=C2Cl)CO)O)O
InChI: InChI=1S/C15H20ClNO6/c1-8(19)17-12-14(21)13(20)11(6-18)23-15(12)22-7-9-4-2-3-5-10(9)16/h2-5,11-15,18,20-21H,6-7H2,1H3,(H,17,19)/t11-,12-,13+,14-,15-/m0/s1
SMILES: C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=C2C=C(C=C4)C5=CC=C(C=C5)OC)C(=O)NC(=O)NC3=O
InChI: InChI=1S/C24H25N3O5/c1-13-12-27-19-10-16(15-6-8-18(31-3)9-7-15)4-5-17(19)11-24(20(27)14(2)32-13)21(28)25-23(30)26-22(24)29/h4-10,13-14,20H,11-12H2,1-3H3,(H2,25,26,28,29,30)/t13-,14+,20-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2C[NH+](CC[C@@H]2[NH2+]CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C27H32N2O/c1-2-30-25-15-13-24(14-16-25)26-21-29(20-23-11-7-4-8-12-23)18-17-27(26)28-19-22-9-5-3-6-10-22/h3-16,26-28H,2,17-21H2,1H3/p+2/t26-,27-/m0/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3[C@@H](C4C3C5=CC=CC=C5SC4=O)C(=O)S2
InChI: InChI=1S/C18H12O2S2/c19-17-15-13(9-5-1-3-7-11(9)21-17)14-10-6-2-4-8-12(10)22-18(20)16(14)15/h1-8,13-16H/t13-,14?,15-,16?/m0/s1
SMILES: C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C23H27NO4/c1-16(21(25)27-3)19-14-23(19,2)20(18-12-8-5-9-13-18)24-22(26)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)/t16-,19-,20-,23+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C(=C7)Br)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C44H41BrN4O7/c1-25-8-10-28(11-9-25)46-49-41(52)34-24-33-31(38(26-22-35(45)39(50)36(23-26)55-2)44(34,43(49)54)27-6-4-3-5-7-27)16-17-32-37(33)42(53)48(40(32)51)30-14-12-29(13-15-30)47-18-20-56-21-19-47/h3-16,22-23,32-34,37-38,46,50H,17-21,24H2,1-2H3/t32-,33+,34-,37-,38-,44+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C
InChI: InChI=1S/C20H25N3OS/c1-14-8-6-7-11-17(14)22-19(24)13-25-20-21-15(2)12-18(23-20)16-9-4-3-5-10-16/h3-5,9-10,12,14,17H,6-8,11,13H2,1-2H3,(H,22,24)/t14-,17-/m0/s1
SMILES: CC(C(=O)N(C)C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N
InChI: InChI=1S/C14H20N4O8/c1-5(15)11(22)17(2)7(13(23)24)10-8(20)9(21)12(26-10)18-4-3-6(19)16-14(18)25/h3-5,7-10,12,20-21H,15H2,1-2H3,(H,23,24)(H,16,19,25)/t5?,7?,8-,9+,10+,12+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)O
InChI: InChI=1S/C22H36O4/c1-12-9-17-16-6-5-14-10-15(24)7-8-20(14,3)19(16)18(25)11-21(17,4)22(12,26)13(2)23/h12,14-19,24-26H,5-11H2,1-4H3/t12-,14+,15+,16+,17+,18-,19-,20+,21+,22+/m1/s1
SMILES: CCCCCC/C=C\CCCCCCCC(=O)OC1=CC=C(C=C1)/C=C/C(=O)O[C@H]2[C@@H](CC[C@@]3([C@@H]2C(=C)CCC3)C)C(C)C
InChI: InChI=1S/C40H60O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36(41)43-34-25-22-33(23-26-34)24-27-37(42)44-39-35(31(2)3)28-30-40(5)29-19-20-32(4)38(39)40/h11-12,22-27,31,35,38-39H,4,6-10,13-21,28-30H2,1-3,5H3/b12-11-,27-24+/t35-,38+,39-,40+/m0/s1
SMILES: C1[C@@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)COS(=O)(=O)N
InChI: InChI=1S/C28H33NO7S/c29-37(30,31)35-20-25-16-26(33-18-23-12-6-2-7-13-23)28(34-19-24-14-8-3-9-15-24)27(36-25)21-32-17-22-10-4-1-5-11-22/h1-15,25-28H,16-21H2,(H2,29,30,31)/t25-,26-,27-,28+/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C50H61N3O9/c1-7-23-53(48(57)34-17-15-33(31-51)16-18-34)45-30-42(52-62-49(3,4)5)40-28-35(13-9-11-24-54)39(14-10-12-25-55)46-41-29-38(60-37-19-21-43(58-6)36(27-37)32-56)20-22-44(41)61-50(45,47(40)46)59-26-8-2/h8,15-22,27-29,32,35,39,45-47,54-55H,2,7,9-14,23-26,30H2,1,3-6H3/t35-,39+,45-,46+,47+,50+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1/C(=N\NC(=O)C3=NNC(=O)C4=CC=CC=C43)/C2
InChI: InChI=1S/C16H14N4O2/c21-15-12-6-2-1-5-11(12)14(18-19-15)16(22)20-17-13-8-9-4-3-7-10(9)13/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)/b17-13-/t9-,10+/m0/s1
SMILES: C1C(=O)N[C@@H]([C@@H](N1CC2=NC(=NN2)N)C3=CC=CC=C3)COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C23H22F6N6O2/c24-22(25,26)15-6-13(7-16(8-15)23(27,28)29)11-37-12-17-20(14-4-2-1-3-5-14)35(10-19(36)31-17)9-18-32-21(30)34-33-18/h1-8,17,20H,9-12H2,(H,31,36)(H3,30,32,33,34)/t17-,20+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4C5CC=C6C[C@H](CC[C@@]6(C5C(=O)C4=C3C)C)O)C)NC1
InChI: InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20?,21+,23?,24-,26-,27-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](C1=O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H47NO5Si2/c1-29(2,3)36-28(34)32-25(22-35-38(10,11)30(4,5)6)26(27(32)33)37-39(31(7,8)9,23-18-14-12-15-19-23)24-20-16-13-17-21-24/h12-21,25-26H,22H2,1-11H3/t25-,26-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)N2[C@@H]([C@@H]3CCC/C(=C\C4=CC=CC=C4)/C3=N2)C5=CC=CC=C5
InChI: InChI=1S/C28H26N2O2/c1-32-24-17-15-22(16-18-24)28(31)30-27(21-11-6-3-7-12-21)25-14-8-13-23(26(25)29-30)19-20-9-4-2-5-10-20/h2-7,9-12,15-19,25,27H,8,13-14H2,1H3/b23-19+/t25-,27-/m1/s1
SMILES: C/C/1=C\[C@@H]2[C@@H]([C@H](C/C(=C/CC1)/C)O)C(=C)C(=O)O2
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13+,14+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)[C@@H]2CNC(=O)[C@]23CCC(=O)N3CC4=CC=CC=C4
InChI: InChI=1S/C26H34N2O3Si/c1-25(2,3)32(4,5)31-21-13-11-20(12-14-21)22-17-27-24(30)26(22)16-15-23(29)28(26)18-19-9-7-6-8-10-19/h6-14,22H,15-18H2,1-5H3,(H,27,30)/t22-,26-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=CC(=CC=C4)Cl)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C26H33ClN2O2/c1-25-13-11-20-18(7-10-22-26(20,2)14-12-23(30)29(22)3)19(25)8-9-21(25)24(31)28-17-6-4-5-16(27)15-17/h4-6,12,14-15,18-22H,7-11,13H2,1-3H3,(H,28,31)/t18-,19-,20-,21+,22+,25-,26+/m0/s1
SMILES: CCCCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO
InChI: InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-18-14-11-13(12-19)15(20)17(22)16(14)21/h11,14-22H,2-10,12H2,1H3/t14-,15+,16+,17+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)OC)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)OC)OC
InChI: InChI=1S/C31H54O6/c1-17(2)18(3)27(35-8)28(36-9)19(4)21-10-11-22-20-16-37-29(33)24-14-25(32)26(34-7)15-31(24,6)23(20)12-13-30(21,22)5/h17-28,32H,10-16H2,1-9H3/t18-,19-,20-,21+,22-,23-,24+,25-,26+,27+,28+,30+,31+/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)CCN3CCC3)C)\C)C
InChI: InChI=1S/C34H58N2O7/c1-9-30-23(4)17-21(2)11-12-28(37)22(3)18-26(13-16-36-14-10-15-36)33(25(6)29(38)20-31(39)42-30)43-34-32(40)27(35(7)8)19-24(5)41-34/h11-12,17,22-27,29-30,32-34,38,40H,9-10,13-16,18-20H2,1-8H3/b12-11+,21-17+/t22-,23+,24-,25+,26+,27+,29?,30-,32-,33-,34+/m1/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)OC
InChI: InChI=1S/C20H30N2O6S/c1-13-7-6-8-18(14(13)2)21-19(23)15(3)28-20(24)16-9-11-17(12-10-16)29(25,26)22(4)27-5/h9-15,18H,6-8H2,1-5H3,(H,21,23)/t13-,14+,15+,18+/m0/s1
SMILES: CC[C@@](C)([C@@H]([C@H]1[C@@H](CC(=O)N1)/C=C/C)NC(=O)C)OC
InChI: InChI=1S/C15H26N2O3/c1-6-8-11-9-12(19)17-13(11)14(16-10(3)18)15(4,7-2)20-5/h6,8,11,13-14H,7,9H2,1-5H3,(H,16,18)(H,17,19)/b8-6+/t11-,13-,14-,15+/m1/s1
SMILES: CC[C@H](C)NC(=O)NC(=O)COC(=O)CN1C(=O)[C@@]2(CCCC[C@@H]2C)NC1=O
InChI: InChI=1S/C18H28N4O6/c1-4-12(3)19-16(26)20-13(23)10-28-14(24)9-22-15(25)18(21-17(22)27)8-6-5-7-11(18)2/h11-12H,4-10H2,1-3H3,(H,21,27)(H2,19,20,23,26)/t11-,12-,18-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)C(C(=O)OC)C(=O)OC
InChI: InChI=1S/C24H34O6/c1-23-9-7-13(25)11-18(23)15(20(21(27)29-3)22(28)30-4)12-14-16-5-6-19(26)24(16,2)10-8-17(14)23/h11,14-17,19-20,26H,5-10,12H2,1-4H3/t14-,15+,16-,17-,19-,23+,24-/m0/s1
SMILES: CC[Si](CC)(CC)OC[C@@H]1[C@@H]([C@@H](C=CO1)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChI: InChI=1S/C24H52O4Si3/c1-10-29(11-2,12-3)26-21-23-24(28-31(16-7,17-8)18-9)22(19-20-25-23)27-30(13-4,14-5)15-6/h19-20,22-24H,10-18,21H2,1-9H3/t22-,23-,24-/m1/s1
SMILES: COC1=CC[C@]2([C@@H](C1)C3=CC=CC=C3OC2=O)[N+](=O)[O-]
InChI: InChI=1S/C14H13NO5/c1-19-9-6-7-14(15(17)18)11(8-9)10-4-2-3-5-12(10)20-13(14)16/h2-6,11H,7-8H2,1H3/t11-,14+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@]23C1=CC(=O)C4=C3C=C(N4)C(=O)N5CCC6=C5C=CC7=C6C=C(N7)C(=O)N8CCC9=C8C=CC1=C9C=C(N1)C(=O)OC
InChI: InChI=1S/C40H36N6O7/c1-39(2,3)53-38(51)46-18-19-17-40(19)24-15-28(43-34(24)32(47)16-33(40)46)36(49)45-12-9-20-22-13-27(41-25(22)5-7-30(20)45)35(48)44-11-10-21-23-14-29(37(50)52-4)42-26(23)6-8-31(21)44/h5-8,13-16,19,41-43H,9-12,17-18H2,1-4H3/t19-,40-/m0/s1
SMILES: COC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H24ClNO8/c1-29-13-5-2-11(3-6-13)9-23-20(28)14-7-4-12(22)8-15(14)30-21-19(27)18(26)17(25)16(10-24)31-21/h2-8,16-19,21,24-27H,9-10H2,1H3,(H,23,28)/t16-,17-,18+,19-,21-/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl
InChI: InChI=1S/C27H20ClN3O3/c28-17-10-12-18(13-11-17)29-25(32)24-22-21(23-20-9-5-4-6-16(20)14-15-30(23)24)26(33)31(27(22)34)19-7-2-1-3-8-19/h1-15,21-24H,(H,29,32)/t21-,22+,23+,24-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1[C@@H](C=C([C@@]2(C3OCCO3)O)C=O)OC(=O)C4=CC=CC=C4)(C)C
InChI: InChI=1S/C24H30O6/c1-22(2)10-7-11-23(3)19(22)18(30-20(26)16-8-5-4-6-9-16)14-17(15-25)24(23,27)21-28-12-13-29-21/h4-6,8-9,14-15,18-19,21,27H,7,10-13H2,1-3H3/t18-,19+,23+,24+/m1/s1
SMILES: C[C@@H](CC/C=C(\C)/C(=O)OC)[C@@H]1CCC(=C)[C@@H]2[C@H]1[C@@H]3[C@H]4[C@@]3(CCC=C4CC2)C
InChI: InChI=1S/C26H38O2/c1-16(8-6-9-18(3)25(27)28-5)20-13-11-17(2)21-14-12-19-10-7-15-26(4)23(19)24(26)22(20)21/h9-10,16,20-24H,2,6-8,11-15H2,1,3-5H3/b18-9+/t16-,20-,21+,22-,23-,24+,26-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H26ClN3O2/c1-13-5-3-4-6-16(13)21-18(24)12-22(2)11-17(23)20-15-9-7-14(19)8-10-15/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1/t13-,16+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)O)C(=O)N(C3=O)O
InChI: InChI=1S/C22H22N2O7/c1-8-5-10(6-9(2)18(8)25)15-11-3-4-12-16(21(28)23(30)19(12)26)13(11)7-14-17(15)22(29)24(31)20(14)27/h3,5-6,12-17,25,30-31H,4,7H2,1-2H3/t12-,13+,14+,15-,16-,17+/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=C5)OC)O)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Cl
InChI: InChI=1S/C29H24Cl2N2O8/c1-32-26(39)28(30)12-19-16(22(29(28,31)27(32)40)17-7-6-15(41-2)11-20(17)34)8-9-18-21(19)24(36)33(23(18)35)14-5-3-4-13(10-14)25(37)38/h3-8,10-11,18-19,21-22,34H,9,12H2,1-2H3,(H,37,38)/t18-,19+,21-,22+,28+,29-/m0/s1
SMILES: CCOC(=O)C[C@H]1[C@H]2[C@H](C3=C(N1)C=CC(=C3)OC(=O)OCC=C)OC(O2)(C)C
InChI: InChI=1S/C20H25NO7/c1-5-9-25-19(23)26-12-7-8-14-13(10-12)17-18(28-20(3,4)27-17)15(21-14)11-16(22)24-6-2/h5,7-8,10,15,17-18,21H,1,6,9,11H2,2-4H3/t15-,17-,18-/m0/s1
SMILES: C1=CC2=C(C(=C1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C22H18ClFN4O4/c23-13-3-1-2-12-18(13)26-21(32)22(12)17-16(14(27-22)8-15(25)29)19(30)28(20(17)31)9-10-4-6-11(24)7-5-10/h1-7,14,16-17,27H,8-9H2,(H2,25,29)(H,26,32)/p+1/t14-,16-,17+,22-/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@]([C@H]1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)/C(=C/C3=C(C=CC=C3F)F)/C4=CC=CC=C4)C(=O)OC)O)C(=O)OC
InChI: InChI=1S/C33H32F2O11/c1-16-14-20-23(29(37)42-2)27(26(32(40)45-5)33(41,24(16)30(38)43-3)25(20)31(39)44-4)46-28(36)18(17-10-7-6-8-11-17)15-19-21(34)12-9-13-22(19)35/h6-13,15-16,20,24-26,41H,14H2,1-5H3/b18-15+/t16-,20+,24-,25-,26?,33-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2C[C@H]2CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C25H34O3Si/c1-24(2,3)29(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-17-19-16-22(19)23-18-26-25(4,5)28-23/h6-15,19,22-23H,16-18H2,1-5H3/t19-,22+,23+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC)OC(=O)C)(C(=O)OC)OCC2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C26H35NO12/c1-15(28)27-22-20(37-17(3)30)12-26(25(32)34-6,36-13-19-10-8-7-9-11-19)39-24(22)23(38-18(4)31)21(33-5)14-35-16(2)29/h7-11,20-24H,12-14H2,1-6H3,(H,27,28)/t20-,21+,22+,23+,24+,26+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@H]([N@+]1(CC3=CC=CC=C3)[O-])C=C)OC(O2)(C)C
InChI: InChI=1S/C17H23NO3/c1-5-14-16-15(20-17(3,4)21-16)12(2)18(14,19)11-13-9-7-6-8-10-13/h5-10,12,14-16H,1,11H2,2-4H3/t12-,14-,15-,16+,18-/m1/s1
SMILES: COC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)NC4=O
InChI: InChI=1S/C33H27ClFN3O6/c1-44-25-4-2-3-22(28(25)39)27-20-13-14-21-26(30(41)36-29(21)40)23(20)15-24-31(42)38(37-19-11-9-18(35)10-12-19)32(43)33(24,27)16-5-7-17(34)8-6-16/h2-13,21,23-24,26-27,37,39H,14-15H2,1H3,(H,36,40,41)/t21-,23+,24-,26-,27+,33+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(N=[N+]=[N-])[Se]C2=CC=CC=C2)C(C)C
InChI: InChI=1S/C18H25N3O2Se/c1-12(2)15-10-9-13(3)11-16(15)23-18(22)17(20-21-19)24-14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3/t13-,15+,16-,17?/m1/s1
SMILES: CN1[C@@H]2CCCC[C@H]2N(P1C3=CC=CC4=C3OC5=CC=CC=C45)C
InChI: InChI=1S/C20H23N2OP/c1-21-16-10-4-5-11-17(16)22(2)24(21)19-13-7-9-15-14-8-3-6-12-18(14)23-20(15)19/h3,6-9,12-13,16-17H,4-5,10-11H2,1-2H3/t16-,17-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl
InChI: InChI=1S/C16H20Cl2N2O3/c1-9-4-3-5-13(10(9)2)20-14(21)8-23-16(22)11-6-12(17)15(18)19-7-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,20,21)/t9-,10+,13-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=CC4=C(CCC4)C=C3
InChI: InChI=1S/C20H24N2O3/c1-13-5-2-3-10-20(13)18(24)22(19(25)21-20)12-17(23)16-9-8-14-6-4-7-15(14)11-16/h8-9,11,13H,2-7,10,12H2,1H3,(H,21,25)/t13-,20-/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C38H42F3N5O6/c1-23-32(21-44-18-15-28(16-19-44)46-30-9-3-2-8-29(30)43-37(46)50)51-35(52-33(23)25-13-11-24(22-47)12-14-25)26-6-4-7-27(20-26)42-34(48)31-10-5-17-45(31)36(49)38(39,40)41/h2-4,6-9,11-14,20,23,28,31-33,35,47H,5,10,15-19,21-22H2,1H3,(H,42,48)(H,43,50)/t23-,31-,32+,33+,35+/m0/s1
SMILES: CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)C[C@H]([C@H]4COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(F)(F)F
InChI: InChI=1S/C35H33F3O6/c1-21(39)43-25-13-15-26-24(18-25)12-14-28-27(26)16-17-34(35(36,37)38)29(28)19-31(44-33(41)23-10-6-3-7-11-23)30(34)20-42-32(40)22-8-4-2-5-9-22/h2-11,13,15,18,27-31H,12,14,16-17,19-20H2,1H3/t27-,28-,29+,30-,31-,34-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=CN2)[C@@H]3[C@H]4[C@H](C(=O)NC4=O)SC5=C3SC(=O)N5
InChI: InChI=1S/C16H11N3O3S2/c20-13-10-9(7-5-17-8-4-2-1-3-6(7)8)12-15(19-16(22)24-12)23-11(10)14(21)18-13/h1-5,9-11,17H,(H,19,22)(H,18,20,21)/t9-,10+,11-/m1/s1
SMILES: C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[NH+]2[C@H]1[C@@H](CC2)O)O)O
InChI: InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/p+1/t10-,12+,13+,15+/m0/s1
SMILES: C[C@H]([C@H]1C[C@@]23C=C[C@@]1([C@@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)OC
InChI: InChI=1S/C23H29NO4/c1-13(26-3)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(25)19(28-20)18(14)22/h5-8,13,15,17,20,25H,9-12H2,1-4H3/t13-,15-,17-,20+,21-,22+,23-/m1/s1
SMILES: CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C19H26N4O2S/c1-13-15(9-11-25-13)18-20-21-19(22(18)2)26-12-17(24)23-10-5-7-14-6-3-4-8-16(14)23/h9,11,14,16H,3-8,10,12H2,1-2H3/t14-,16-/m0/s1
SMILES: CC(=O)OC[C@H]([C@@H](C1=CC(=C(C=C1)OC(=O)C)OC)OC(=O)C)OC2=C(C=C(C=C2)/C=C/C(=O)OC[C@H]3[C@@H]([C@H]([C@@H](O3)OC)OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C36H42O17/c1-19(37)46-17-30(33(49-21(3)39)25-11-13-26(48-20(2)38)29(16-25)44-7)52-27-12-9-24(15-28(27)43-6)10-14-32(42)47-18-31-34(50-22(4)40)35(51-23(5)41)36(45-8)53-31/h9-16,30-31,33-36H,17-18H2,1-8H3/b14-10+/t30-,31+,33-,34+,35-,36-/m1/s1
SMILES: CCCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3(CCCCC3)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5
InChI: InChI=1S/C40H59N7O6/c1-6-8-17-27(32(48)37(52)43-20-7-2)44-36(51)31-29-26(39(29,3)4)24-47(31)38(53)33(40(5)18-13-10-14-19-40)46-35(50)30(25-15-11-9-12-16-25)45-34(49)28-23-41-21-22-42-28/h7,21-23,25-27,29-31,33H,2,6,8-20,24H2,1,3-5H3,(H,43,52)(H,44,51)(H,45,49)(H,46,50)/t26-,27-,29-,30-,31-,33+/m0/s1
SMILES: CO[C@H]1[C@@H](C2=CC=CC=C2S(=C(C(=O)OC)C(=O)OC)C3=CC=CC=C13)OC
InChI: InChI=1S/C21H22O6S/c1-24-17-13-9-5-7-11-15(13)28(19(20(22)26-3)21(23)27-4)16-12-8-6-10-14(16)18(17)25-2/h5-12,17-18H,1-4H3/t17-,18-/m1/s1
SMILES: CC1[C@H]2CC3=CC=CC=C3[C@H]2O[Si]1(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H22OSi/c1-17-22-16-18-10-8-9-15-21(18)23(22)24-25(17,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,22-23H,16H2,1H3/t17?,22-,23-/m1/s1
SMILES: C1COC(=O)C2=CO[C@H]([C@@H]([C@@]21O)[C@H]3CO3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C16H22O11/c17-3-7-10(18)11(19)12(20)15(26-7)27-14-9(8-5-24-8)16(22)1-2-23-13(21)6(16)4-25-14/h4,7-12,14-15,17-20,22H,1-3,5H2/t7-,8-,9+,10-,11+,12-,14+,15+,16+/m1/s1
SMILES: COC1=C2[C@H]3C=C[C@@H](C2=C(C4=C1[C@@H]5C=C[C@H]4[C@@H]6[C@H]5[C@@H]7C=C[C@H]6C7O)OC)[C@@H]8[C@@H]3[C@H]9C=C[C@@H]8C9O
InChI: InChI=1S/C30H30O4/c1-33-29-23-11-3-5-13(21-17-9-7-15(19(11)21)27(17)31)25(23)30(34-2)26-14-6-4-12(24(26)29)20-16-8-10-18(22(14)20)28(16)32/h3-22,27-28,31-32H,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20-,21+,22-,27?,28?/m0/s1
SMILES: CCC1=CC=C(C=C1)OCC(=O)N/N=C\C2=CC=C(O2)[C@H]3C[C@H]3C
InChI: InChI=1S/C19H22N2O3/c1-3-14-4-6-15(7-5-14)23-12-19(22)21-20-11-16-8-9-18(24-16)17-10-13(17)2/h4-9,11,13,17H,3,10,12H2,1-2H3,(H,21,22)/b20-11-/t13-,17+/m1/s1
SMILES: CC(C)C[C@H]1C(=O)NCC(C2=CC=C(C=C2)O[C@H]([C@@H](C(=O)N1)NC(=O)OC(C)(C)C)C(C)C)O
InChI: InChI=1S/C25H39N3O6/c1-14(2)12-18-22(30)26-13-19(29)16-8-10-17(11-9-16)33-21(15(3)4)20(23(31)27-18)28-24(32)34-25(5,6)7/h8-11,14-15,18-21,29H,12-13H2,1-7H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19?,20-,21-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](C2(Cl)Cl)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C17H12Cl2F3NO/c18-16(19)13(10-6-2-1-3-7-10)14(16)15(24)23-12-9-5-4-8-11(12)17(20,21)22/h1-9,13-14H,(H,23,24)/t13-,14+/m0/s1