EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)[C@@]2([C@H]([C@@H](C(=C(O2)O)C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O
InChI: InChI=1S/C27H18Cl2N2O3/c28-21-13-12-18(15-22(21)29)24-20(16-30)26(32)34-27(33,19-9-2-1-3-10-19)25(24)31-14-6-8-17-7-4-5-11-23(17)31/h1-15,24-25,33H/p+1/t24-,25+,27-/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2CCC[C@]23[C@H]4CCC[C@H]4[C@]1(C(=O)O3)CBr
InChI: InChI=1S/C16H21BrO4/c1-20-13(18)12-11-6-3-7-16(11)10-5-2-4-9(10)15(12,8-17)14(19)21-16/h9-12H,2-8H2,1H3/t9-,10+,11-,12-,15-,16+/m1/s1
SMILES: CC(=O)[C@]12CCCC[C@H]1C[C@@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C27H40O3/c1-17(28)27-12-6-5-7-20(27)16-24-22-9-8-19-15-21(30-18(2)29)10-13-25(19,3)23(22)11-14-26(24,27)4/h8,20-24H,5-7,9-16H2,1-4H3/t20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC)O
InChI: InChI=1S/C17H29N5O4Si/c1-17(2,3)27(5,6)25-7-10-12(23)13(24-4)16(26-10)22-9-21-11-14(18)19-8-20-15(11)22/h8-10,12-13,16,23H,7H2,1-6H3,(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
SMILES: C[C@@H](C(=O)OCC1=C(C=C(C=C1)Cl)Cl)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C18H19Cl2NO4/c1-10(18(24)25-9-11-6-7-12(19)8-15(11)20)21-16(22)13-4-2-3-5-14(13)17(21)23/h6-8,10,13-14H,2-5,9H2,1H3/t10-,13+,14+/m0/s1
SMILES: C[C@]12CCCC(C1C(C(C(=C)[C@@H]2/C=C\C3=COC=C3)O)O)(C)C
InChI: InChI=1S/C20H28O3/c1-13-15(7-6-14-8-11-23-12-14)20(4)10-5-9-19(2,3)18(20)17(22)16(13)21/h6-8,11-12,15-18,21-22H,1,5,9-10H2,2-4H3/b7-6-/t15-,16?,17?,18?,20+/m0/s1
SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO
InChI: InChI=1S/C23H32O5/c1-14(25)28-23(20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,24H,4-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)C[C@@]4(CC[C@@H]5[C@@]4(CCC=C(CC[C@@H](CC6=CC(=C5C=C6)C(=O)C7=CC(=C(C=C7)F)F)O)C)C)O)C(C)C
InChI: InChI=1S/C50H69F2NO5/c1-30(2)38-17-11-32(4)23-45(38)58-47(56)53(28-35-13-15-36-27-42(35)48(36,5)6)29-50(57)22-20-41-39-18-12-33(24-37(54)16-10-31(3)9-8-21-49(41,50)7)25-40(39)46(55)34-14-19-43(51)44(52)26-34/h9,12,14,18-19,25-26,30,32,35-38,41-42,45,54,57H,8,10-11,13,15-17,20-24,27-29H2,1-7H3/t32-,35-,36-,37-,38+,41-,42-,45-,49-,50+/m0/s1
SMILES: CCOC(=O)CC(C(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)C)C(=C)C)O
InChI: InChI=1S/C45H64O8/c1-9-51-38(49)26-33(47)40(50)52-27-45-23-18-31(28(2)3)39(45)32-15-16-35-42(6)21-20-36(53-37(48)17-12-29-10-13-30(46)14-11-29)41(4,5)34(42)19-22-44(35,8)43(32,7)24-25-45/h10-14,17,31-36,39,46-47H,2,9,15-16,18-27H2,1,3-8H3/b17-12+/t31-,32+,33?,34-,35+,36-,39+,42-,43+,44+,45+/m0/s1
SMILES: C[C@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4C=C3C(=O)OC)O)C(OC)OC
InChI: InChI=1S/C23H24N2O8/c1-23(22(31-3)32-4)20(26)19(15-12-14(25(28)29)9-10-18(15)33-23)24-16-8-6-5-7-13(16)11-17(24)21(27)30-2/h5-12,19-20,22,26H,1-4H3/t19-,20+,23+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)N
InChI: InChI=1S/C17H23ClN2O3/c1-10-4-3-5-15(11(10)2)20-16(21)9-23-17(22)13-8-12(18)6-7-14(13)19/h6-8,10-11,15H,3-5,9,19H2,1-2H3,(H,20,21)/t10-,11+,15+/m0/s1
SMILES: CCOP(=O)([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)NCC3=CC=C(C=C3)OC)OCC
InChI: InChI=1S/C35H61N4O9PSi2/c1-15-44-49(42,45-16-2)31(36-23-25-17-19-26(43-10)20-18-25)29-28(47-50(11,12)34(4,5)6)30(48-51(13,14)35(7,8)9)32(46-29)39-22-21-27(37-24(3)40)38-33(39)41/h17-22,28-32,36H,15-16,23H2,1-14H3,(H,37,38,40,41)/t28-,29+,30-,31+,32-/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(=C4)CNC(=O)C)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C43H40N2O5S/c1-28-38(27-51-43-45-39(33-11-5-3-6-12-33)41(50-43)34-13-7-4-8-14-34)48-42(49-40(28)35-18-16-30(26-46)17-19-35)36-22-20-32(21-23-36)37-15-9-10-31(24-37)25-44-29(2)47/h3-24,28,38,40,42,46H,25-27H2,1-2H3,(H,44,47)/t28-,38+,40+,42+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)O
InChI: InChI=1S/C48H50O12P2/c49-43-44(50)46(59-61(51,55-33-39-23-11-3-12-24-39)56-34-40-25-13-4-14-26-40)47(54-32-38-21-9-2-10-22-38)48(45(43)53-31-37-19-7-1-8-20-37)60-62(52,57-35-41-27-15-5-16-28-41)58-36-42-29-17-6-18-30-42/h1-30,43-50H,31-36H2/t43-,44+,45+,46+,47-,48-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H16BrNO5/c19-12-7-5-11(6-8-12)15(21)10-25-16(22)9-20-17(23)13-3-1-2-4-14(13)18(20)24/h1-2,5-8,13-14H,3-4,9-10H2/t13-,14-/m0/s1
SMILES: C[C@H]1COCC[C@H]1N(C)[C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCN4C(=CC(=CC4=O)C(F)(F)F)C3
InChI: InChI=1S/C25H36F3N3O3/c1-16(2)24(7-5-19(13-24)29(4)21-6-10-34-15-17(21)3)23(33)30-8-9-31-20(14-30)11-18(12-22(31)32)25(26,27)28/h11-12,16-17,19,21H,5-10,13-15H2,1-4H3/t17-,19+,21+,24-/m0/s1
SMILES: CN(C)C(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCF)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC1)C(=O)O
InChI: InChI=1S/C36H33FN6O7S2/c1-42(2)35(48)49-18-22-19-51-32-28(31(45)43(32)29(22)33(46)47)39-30(44)27(41-50-21-37)26-20-52-34(38-26)40-36(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20,28,32H,18-19,21H2,1-2H3,(H,38,40)(H,39,44)(H,46,47)/b41-27-/t28-,32-/m1/s1
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H19ClN2O3/c1-13-10-11-14(23)12-18(13)24-20(26)17-8-4-5-9-19(17)25-21(27)15-6-2-3-7-16(15)22(25)28/h2-5,8-12,15-16H,6-7H2,1H3,(H,24,26)/t15-,16+
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C23H27N3O7/c1-15(27)30-14-19-21(31-13-17-8-10-18(29-2)11-9-17)22(20(25-26-24)23(28)33-19)32-12-16-6-4-3-5-7-16/h3-11,19-23,28H,12-14H2,1-2H3/t19-,20-,21-,22-,23+/m1/s1
SMILES: CC(=O)[C@]12CCCC[C@H]1C[C@H](C2)[Si](C)(C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C32H38OSi/c1-25(33)31-22-14-13-21-29(31)23-30(24-31)34(2,3)32(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-12,15-20,29-30H,13-14,21-24H2,1-3H3/t29-,30+,31+/m0/s1
SMILES: CCCC(=O)N1C[C@@H]([C@@H]([C@H]1C(=O)NC(C)(C)CC(C)(C)C)O)O
InChI: InChI=1S/C17H32N2O4/c1-7-8-12(21)19-9-11(20)14(22)13(19)15(23)18-17(5,6)10-16(2,3)4/h11,13-14,20,22H,7-10H2,1-6H3,(H,18,23)/t11-,13-,14-/m0/s1
SMILES: C[C@@H]([C@@H]1C[C@@H]2CCC3(C[C@@H]2N1CC4=CC=CC=C4)OCCO3)O
InChI: InChI=1S/C19H27NO3/c1-14(21)17-11-16-7-8-19(22-9-10-23-19)12-18(16)20(17)13-15-5-3-2-4-6-15/h2-6,14,16-18,21H,7-13H2,1H3/t14-,16-,17-,18-/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(C=C4)C(=O)O)[Si](C)(C)C)C(=O)O
InChI: InChI=1S/C23H26N6O7S2Si/c1-36-27-15(13-10-38-23(24)25-13)18(30)26-16-19(31)29-17(22(34)35)11(9-37-20(16)29)7-28-6-5-12(21(32)33)14(8-28)39(2,3)4/h5-6,8,10,16,20H,7,9H2,1-4H3,(H4-,24,25,26,30,32,33,34,35)/p+1/b27-15-/t16-,20-/m1/s1
SMILES: C1C[C@@H]([C@H](OC1)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)I
InChI: InChI=1S/C21H22INO4/c22-17-12-7-13-26-21(17)27-20(25)18(14-15-8-3-1-4-9-15)23-19(24)16-10-5-2-6-11-16/h1-6,8-11,17-18,21H,7,12-14H2,(H,23,24)/t17-,18-,21+/m0/s1
SMILES: CCOP(=O)([C@@]1(C[C@]2(N1[C@@H]2C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4)OCC
InChI: InChI=1S/C22H26NO5P/c1-4-27-29(25,28-5-2)22(18-14-10-7-11-15-18)16-21(20(24)26-3)19(23(21)22)17-12-8-6-9-13-17/h6-15,19H,4-5,16H2,1-3H3/t19-,21-,22+,23?/m1/s1
SMILES: C1CC1C(=O)[C@H]2[C@H](C([C@@H]3[NH+]2C=CC=C3)(C#N)C#N)C4=CC=CC=C4Cl
InChI: InChI=1S/C20H16ClN3O/c21-15-6-2-1-5-14(15)17-18(19(25)13-8-9-13)24-10-4-3-7-16(24)20(17,11-22)12-23/h1-7,10,13,16-18H,8-9H2/p+1/t16-,17-,18-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1[C@@]([C@H](CC2)OS(=O)(=O)C)(C)O)C(C)(C)O
InChI: InChI=1S/C16H30O5S/c1-14(2,17)11-6-8-15(3)9-7-13(21-22(5,19)20)16(4,18)12(15)10-11/h11-13,17-18H,6-10H2,1-5H3/t11-,12+,13+,15-,16-/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)CCCCC#C[Si](C)(C)C)C
InChI: InChI=1S/C20H33NO3SSi/c1-19(2)16-11-12-20(19)15-25(23,24)21(17(20)14-16)18(22)10-8-6-7-9-13-26(3,4)5/h16-17H,6-8,10-12,14-15H2,1-5H3/t16-,17-,20-/m1/s1
SMILES: CCCCCCCC(=O)N[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N
InChI: InChI=1S/C42H52N2O5/c1-2-3-4-5-18-27-36(45)44-38-37(43)39(46-28-32-19-10-6-11-20-32)41(48-30-34-23-14-8-15-24-34)42(49-31-35-25-16-9-17-26-35)40(38)47-29-33-21-12-7-13-22-33/h6-17,19-26,37-42H,2-5,18,27-31,43H2,1H3,(H,44,45)/t37-,38+,39-,40-,41+,42+/m0/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)O)CO)(C)C)OC(=O)/C=C(\C)/CCC=C(C)C
InChI: InChI=1S/C45H72O8/c1-13-28(5)39(51)53-38-37(52-34(48)23-27(4)16-14-15-26(2)3)40(6,7)24-30-29-17-18-32-42(10)21-20-33(47)41(8,9)31(42)19-22-43(32,11)44(29,12)35(49)36(50)45(30,38)25-46/h15,17,23,28,30-33,35-38,46-47,49-50H,13-14,16,18-22,24-25H2,1-12H3/b27-23+/t28?,30-,31?,32+,33-,35-,36+,37-,38-,42-,43+,44-,45-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@]([C@@H]3C2=O)(O4)C)Cl
InChI: InChI=1S/C16H14ClNO3/c1-8-3-4-9(7-10(8)17)18-14(19)12-11-5-6-16(2,21-11)13(12)15(18)20/h3-7,11-13H,1-2H3/t11-,12+,13+,16+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C=C(N=N4)COC5=CC=CC=C5
InChI: InChI=1S/C24H29N5O3/c1-28(2)19-10-8-17(9-11-19)12-25-21-15-31-24-22(16-32-23(21)24)29-13-18(26-27-29)14-30-20-6-4-3-5-7-20/h3-11,13,21-25H,12,14-16H2,1-2H3/t21-,22-,23+,24+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)OC3[C@H](O[C@H](C[C@@H]3O)OC4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
InChI: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25?,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37?,38-,39+,40-,41+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](C/C(=C/CO)/C(=C)[C@H]2O1)OC3CCCCO3)C
InChI: InChI=1S/C17H26O5/c1-11-12(7-8-18)10-13(20-14-6-4-5-9-19-14)16-15(11)21-17(2,3)22-16/h7,13-16,18H,1,4-6,8-10H2,2-3H3/b12-7-/t13-,14?,15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@H](C[C@H](N3C(=O)OC)[Se]C4=CC=CC=C4)C5=CC=CC=C52
InChI: InChI=1S/C25H24N2O4SSe/c1-17-12-14-18(15-13-17)32(29,30)27-22-11-7-6-10-20(22)21-16-23(26(24(21)27)25(28)31-2)33-19-8-4-3-5-9-19/h3-15,21,23-24H,16H2,1-2H3/t21-,23-,24+/m1/s1
SMILES: CC(C)(C1=CC2=C(O1)C=CN=C2)N3CCN([C@@H](C3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O
InChI: InChI=1S/C38H44F3N5O5/c1-37(2,33-19-27-20-42-13-12-32(27)51-33)46-15-14-45(30(22-46)36(50)43-23-38(39,40)41)21-28(47)17-26(16-24-8-4-3-5-9-24)35(49)44-34-29-11-7-6-10-25(29)18-31(34)48/h3-13,19-20,26,28,30-31,34,47-48H,14-18,21-23H2,1-2H3,(H,43,50)(H,44,49)/t26-,28+,30+,31-,34+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C
InChI: InChI=1S/C18H23NO3/c1-11-6-4-5-7-15(11)19-18(20)17-12(2)14-10-13(21-3)8-9-16(14)22-17/h8-11,15H,4-7H2,1-3H3,(H,19,20)/t11-,15+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3N=C4C=CC=CC4=N3)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C27H25N3O5/c1-17-7-11-19(12-8-17)26(31)33-16-24-23(35-27(32)20-13-9-18(2)10-14-20)15-25(34-24)30-28-21-5-3-4-6-22(21)29-30/h3-14,23-25H,15-16H2,1-2H3/t23-,24+,25+/m0/s1
SMILES: COC1=CC=C(C=C1)C[C@@]2([C@@H]3[C@@H](CC4=C3C=C(N4CCN5CCOCC5)C(=O)N6CCCC6)CN2C(=O)C7=CC=CC=C7)C(=O)OC
InChI: InChI=1S/C37H44N4O6/c1-45-29-12-10-26(11-13-29)24-37(36(44)46-2)33-28(25-41(37)34(42)27-8-4-3-5-9-27)22-31-30(33)23-32(35(43)39-14-6-7-15-39)40(31)17-16-38-18-20-47-21-19-38/h3-5,8-13,23,28,33H,6-7,14-22,24-25H2,1-2H3/t28-,33+,37+/m0/s1
SMILES: CC1=C(N2[C@H]([C@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O
InChI: InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11+,15+/m1/s1
SMILES: CCCSC1=C([C@H]([C@H](C(=O)N1)C#N)C2=CC=CC=C2OCC)C#N
InChI: InChI=1S/C18H19N3O2S/c1-3-9-24-18-14(11-20)16(13(10-19)17(22)21-18)12-7-5-6-8-15(12)23-4-2/h5-8,13,16H,3-4,9H2,1-2H3,(H,21,22)/t13-,16+/m1/s1
SMILES: C[C@]12C[C@@]3([C@H]4C[C@@]1([C@@]4([C@@H](O2)O3)COC(=O)C5=CC(=C(C(=C5)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI: InChI=1S/C23H28O14/c1-20-6-22(32)12-4-23(20,35-18-16(30)15(29)14(28)11(5-24)34-18)21(12,19(36-20)37-22)7-33-17(31)8-2-9(25)13(27)10(26)3-8/h2-3,11-12,14-16,18-19,24-30,32H,4-7H2,1H3/t11-,12+,14-,15+,16-,18+,19+,20+,21+,22-,23-/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O)CC5=CC=CC=C5
InChI: InChI=1S/C29H33NO5/c1-19-23-11-12-25(20(2)27(23)35-28(32)24(19)16-21-8-4-3-5-9-21)34-18-26(31)30-15-14-29(33)13-7-6-10-22(29)17-30/h3-5,8-9,11-12,22,33H,6-7,10,13-18H2,1-2H3/t22-,29-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H]2CCC(=O)C2=C(C3([C@@]1(C)O)CCC3)C
InChI: InChI=1S/C20H34O3Si/c1-6-24(7-2,8-3)23-18-15-10-11-16(21)17(15)14(4)20(12-9-13-20)19(18,5)22/h15,18,22H,6-13H2,1-5H3/t15-,18-,19+/m1/s1
SMILES: CC(C)CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OCCCC[C]6[CH][CH][CH][CH]6)OP(N(C(C)C)C(C)C)OCCC#N
InChI: InChI=1S/C52H67N5O8P/c1-37(2)35-54-47-30-32-56(51(58)55-47)50-49(65-66(63-34-16-31-53)57(38(3)4)39(5)6)48(61-33-15-14-19-40-17-12-13-18-40)46(64-50)36-62-52(41-20-10-9-11-21-41,42-22-26-44(59-7)27-23-42)43-24-28-45(60-8)29-25-43/h9-13,17-18,20-30,32,37-39,46,48-50H,14-16,19,33-36H2,1-8H3,(H,54,55,58)/t46-,48-,49-,50-,66?/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)N=[N+]=[N-])O[C@H]3[C@H](O[C@@H]([C@@H]([C@H]3OCC4=CC=C(C=C4)OC)N=[N+]=[N-])OC)COCC5=CC=CC=C5)COCC6=CC=CC=C6)C
InChI: InChI=1S/C38H46N6O10/c1-38(2)53-33-29(23-48-20-25-13-9-6-10-14-25)51-37(31(42-44-40)35(33)54-38)52-32-28(22-47-19-24-11-7-5-8-12-24)50-36(46-4)30(41-43-39)34(32)49-21-26-15-17-27(45-3)18-16-26/h5-18,28-37H,19-23H2,1-4H3/t28-,29-,30-,31-,32+,33+,34-,35-,36+,37-/m1/s1
SMILES: C[C@H]1C[C@]2([C@@H](CC[C@@H]2O)[C@@H]3[C@@H]1C4=C(CC3)C=C(C=C4)O)C
InChI: InChI=1S/C19H26O2/c1-11-10-19(2)16(7-8-17(19)21)15-5-3-12-9-13(20)4-6-14(12)18(11)15/h4,6,9,11,15-18,20-21H,3,5,7-8,10H2,1-2H3/t11-,15+,16-,17-,18-,19-/m0/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=CC(=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)16-15-29(22-47)45-39(53)30-10-5-17-46(30)40(54)26-20-31(38-32(21-26)59-44(61-38,27-11-12-27)28-13-14-28)57-41(55)25-9-4-7-24(19-25)8-6-18-56-42-37(52)36(51)35(50)33(23-48)58-42/h4,6-9,19,21,27-33,35-38,42,47-48,50-52H,5,10-18,20,22-23H2,1-3H3,(H,45,53)/t29-,30+,31+,32+,33+,35-,36-,37+,38-,42-/m0/s1
SMILES: CCCCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)CO[C@H]3C[C@H](CC[C@@H]3C(C)C)C
InChI: InChI=1S/C35H55IN2O8/c1-6-7-8-9-13-38(32(41)21-45-29-15-23(4)10-11-26(29)22(2)3)28-18-25(35(43)37-12-14-39)19-30(33(28)42)46-34-27(36)16-24(20-40)17-31(34)44-5/h16-17,19,22-23,26,28-30,33,39-40,42H,6-15,18,20-21H2,1-5H3,(H,37,43)/t23-,26+,28+,29-,30-,33-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18FN3O6/c1-33-19-7-2-4-14(12-19)21-20-22(34-27(21)17-5-3-6-18(13-17)28(31)32)24(30)26(23(20)29)16-10-8-15(25)9-11-16/h2-13,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](CC([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)C=O)C)\C)COC
InChI: InChI=1S/C31H51NO10/c1-9-25-22(16-39-8)12-17(2)10-11-23(34)18(3)13-21(15-33)30(19(4)24(35)14-26(36)41-25)42-31-29(38)27(32(6)7)28(37)20(5)40-31/h10-12,15,18-22,24-25,27-31,35,37-38H,9,13-14,16H2,1-8H3/b11-10+,17-12+/t18-,19+,20-,21?,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@@](O2)(CO)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C25H28N2O7/c1-17-12-27(24(31)26-22(17)30)23-20(29)21(33-14-19-10-6-3-7-11-19)25(15-28,34-23)16-32-13-18-8-4-2-5-9-18/h2-12,20-21,23,28-29H,13-16H2,1H3,(H,26,30,31)/t20-,21+,23-,25-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)C([C@@H]3[C@H](C2O)OC(O3)(C)C)OC4(CCOCC4)OC)C
InChI: InChI=1S/C18H30O8/c1-16(2)22-11-10(19)12-14(25-17(3,4)23-12)15(13(11)24-16)26-18(20-5)6-8-21-9-7-18/h10-15,19H,6-9H2,1-5H3/t10?,11-,12-,13-,14+,15?/m0/s1
SMILES: CC1([C@@H](N2[C@H]([S@]1=O)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)C(=O)O)C(=O)O)C
InChI: InChI=1S/C17H18N2O7S/c1-17(2)11(16(24)25)19-13(21)10(14(19)27(17)26)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,14-,27-/m1/s1
SMILES: CC(=CCN1C2=C(N=C1O[C@H]3[C@H](CC4=CC=CC=C34)N)N(C(=O)N(C2=O)CC(=O)C5=CC=CC=C5)C)C.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C28H29N5O4.C2HF3O2/c1-17(2)13-14-32-23-25(30-27(32)37-24-20-12-8-7-11-19(20)15-21(24)29)31(3)28(36)33(26(23)35)16-22(34)18-9-5-4-6-10-18;3-2(4,5)1(6)7/h4-13,21,24H,14-16,29H2,1-3H3;(H,6,7)/t21-,24+;/m0./s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C(=C2)OC)OCCO3
InChI: InChI=1S/C21H29NO6/c1-12-6-5-7-16(13(12)2)22-20(23)14(3)28-21(24)15-10-17(25-4)19-18(11-15)26-8-9-27-19/h10-14,16H,5-9H2,1-4H3,(H,22,23)/t12-,13+,14+,16+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)O2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H16O8/c1-5(13)16-4-8-9(17-6(2)14)10(18-7(3)15)11-12(19-8)20-11/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)C7=CC=C(C=C7)CO
InChI: InChI=1S/C42H51N5O5/c1-42(2,3)46-40(50)37-21-20-29-8-4-7-11-36(29)47(37)25-32-22-38(30-16-14-28(26-48)15-17-30)52-41(51-32)31-18-12-27(13-19-31)23-44-39(49)35-24-43-33-9-5-6-10-34(33)45-35/h5-6,9-10,12-19,24,29,32,36-38,41,48H,4,7-8,11,20-23,25-26H2,1-3H3,(H,44,49)(H,46,50)/t29-,32+,36-,37-,38-,41-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)C5CCC(CC5)(C)C)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O
InChI: InChI=1S/C30H42O6/c1-27(2)10-7-17(8-11-27)26-35-24-14-21-20-6-5-18-13-19(32)9-12-28(18,3)25(20)22(33)15-29(21,4)30(24,36-26)23(34)16-31/h9,12-13,17,20-22,24-26,31,33H,5-8,10-11,14-16H2,1-4H3/t20-,21-,22-,24+,25+,26?,28-,29-,30+/m0/s1
SMILES: COC1=CC=CC=C1C2=NC=NN2C3=C([C@H]4CCCCC[C@H]4S3)C#N
InChI: InChI=1S/C19H20N4OS/c1-24-16-9-6-5-8-14(16)18-21-12-22-23(18)19-15(11-20)13-7-3-2-4-10-17(13)25-19/h5-6,8-9,12-13,17H,2-4,7,10H2,1H3/t13-,17-/m1/s1
SMILES: CCC/C=C/C=C/C(=O)O[C@@H]1C[C@H]2[C@H](CCC[C@H]2N[C@H]1C)CCCC[C@@H](CCC)O
InChI: InChI=1S/C26H45NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h7-9,18,20-25,27-28H,4-6,10-17,19H2,1-3H3/b8-7+,18-9+/t20-,21-,22+,23-,24+,25+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)COC(C4=CC=CC(=C4)CS(=O)(=O)CCO[P@](O3)OC)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI: InChI=1S/C35H39N2O11PS/c1-23-20-37(34(39)36-33(23)38)32-19-30-31(47-32)21-45-35(25-8-12-28(42-2)13-9-25,26-10-14-29(43-3)15-11-26)27-7-5-6-24(18-27)22-50(40,41)17-16-46-49(44-4)48-30/h5-15,18,20,30-32H,16-17,19,21-22H2,1-4H3,(H,36,38,39)/t30-,31+,32+,49+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2N3CCN(CC3)CC4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H25ClN2/c19-17-5-2-14(3-6-17)13-20-7-9-21(10-8-20)18-12-15-1-4-16(18)11-15/h2-3,5-6,15-16,18H,1,4,7-13H2/t15-,16+,18-/m0/s1
SMILES: CC1(C(=O)N(C(=O)N1)C[C@@H](COC2=CC=C(C=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)O)C
InChI: InChI=1S/C22H25N3O6/c1-22(2)20(29)24(21(30)23-22)11-14(26)12-31-15-9-7-13(8-10-15)25-18(27)16-5-3-4-6-17(16)19(25)28/h3-4,7-10,14,16-17,26H,5-6,11-12H2,1-2H3,(H,23,30)/t14-,16-,17-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3(CCC4([C@H]([C@@H]3[C@H]2OC1=O)C)OCCO4)C
InChI: InChI=1S/C17H26O4/c1-10-12-4-5-16(3)6-7-17(19-8-9-20-17)11(2)13(16)14(12)21-15(10)18/h10-14H,4-9H2,1-3H3/t10-,11-,12-,13+,14-,16-/m0/s1
SMILES: C=C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C13H19N4O13P3/c1-2-13(19)9(18)8(5-27-32(23,24)30-33(25,26)29-31(20,21)22)28-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h2-4,6,8-9,12,18-19H,1,5H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t8-,9-,12-,13-/m1/s1
SMILES: CC1=NC2=C([C@H](C1C(=O)OC)C3=CC=C(C=C3)Cl)C(=O)[C@H]([C@H](C2)C4=CC=C(C=C4)OC)C(=O)OC
InChI: InChI=1S/C27H26ClNO6/c1-14-21(26(31)34-3)22(16-5-9-17(28)10-6-16)24-20(29-14)13-19(23(25(24)30)27(32)35-4)15-7-11-18(33-2)12-8-15/h5-12,19,21-23H,13H2,1-4H3/t19-,21?,22+,23+/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](CCC(=C)C)C(C)C)C2=CC=CC=C2
InChI: InChI=1S/C20H27NO3/c1-13(2)11-12-17(14(3)4)19(22)21-15(5)18(24-20(21)23)16-9-7-6-8-10-16/h6-10,14-15,17-18H,1,11-12H2,2-5H3/t15-,17-,18-/m1/s1
SMILES: CN(C[C@]1(C[C@H]1CN2CCC(CC2)C3=NC(=NO3)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CO6
InChI: InChI=1S/C31H33ClN4O3/c1-35(30(37)27-8-5-17-38-27)21-31(24-9-11-26(32)12-10-24)19-25(31)20-36-15-13-23(14-16-36)29-33-28(34-39-29)18-22-6-3-2-4-7-22/h2-12,17,23,25H,13-16,18-21H2,1H3/t25-,31+/m0/s1
SMILES: CN1C[C@H]([C@@H](C1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C20H23ClN2O/c1-22(2)17-10-6-14(7-11-17)18-12-23(3)13-19(18)20(24)15-4-8-16(21)9-5-15/h4-11,18-19H,12-13H2,1-3H3/t18-,19+/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@]([C@@H]([C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)O)(C(C)C)O)C)O)C)O
InChI: InChI=1S/C20H32O8/c1-9(2)17(25)12(22)18(26)13(4)8-16(24)14(17,5)20(18,27)19(28-16)11(21)10(3)6-7-15(13,19)23/h9-12,21-27H,6-8H2,1-5H3/t10-,11+,12-,13-,14+,15-,16-,17+,18+,19+,20+/m0/s1
SMILES: CC(=O)N(CC1CC1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C23H29IN2O7/c1-13(29)26(11-14-3-4-14)18-9-16(23(31)25-5-6-27)10-19(21(18)30)33-22-17(24)7-15(12-28)8-20(22)32-2/h7-8,10,12,14,18-19,21,27,30H,3-6,9,11H2,1-2H3,(H,25,31)/t18-,19+,21+/m1/s1
SMILES: C[C@@H]1O[C@H]1/C=C\C(=O)OC2=C(C(=C(C(=C2OC(=O)/C=C\[C@@H]3O[C@H]3C)C4=CC=C(C=C4)O)OC(=O)/C=C\[C@H]5O[C@@H]5C)OC(=O)/C=C\[C@H]6O[C@@H]6C)C7=CC=C(C=C7)O
InChI: InChI=1S/C42H38O14/c1-21-29(49-21)13-17-33(45)53-39-37(25-5-9-27(43)10-6-25)41(55-35(47)19-15-31-23(3)51-31)42(56-36(48)20-16-32-24(4)52-32)38(26-7-11-28(44)12-8-26)40(39)54-34(46)18-14-30-22(2)50-30/h5-24,29-32,43-44H,1-4H3/b17-13-,18-14-,19-15-,20-16-/t21-,22-,23+,24+,29-,30-,31+,32+
SMILES: C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)CC2=CC=C(C=C2)O)[C@@H]3[C@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C35H44N2O8/c1-21(2)18-28-33(41)43-27(22(3)30-31(45-30)24-10-7-6-8-11-24)12-9-13-29(39)37-26(19-23-14-16-25(38)17-15-23)32(40)36-20-35(4,5)34(42)44-28/h6-11,13-17,21-22,26-28,30-31,38H,12,18-20H2,1-5H3,(H,36,40)(H,37,39)/b13-9+/t22-,26+,27-,28-,30+,31+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@]1(CCC(C)CCCC(=O)OCC)C(=O)OCC)O
InChI: InChI=1S/C26H44O6/c1-5-8-9-12-22(27)16-14-21-15-17-23(28)26(21,25(30)32-7-3)19-18-20(4)11-10-13-24(29)31-6-2/h14,16,20-22,27H,5-13,15,17-19H2,1-4H3/b16-14+/t20?,21-,22-,26-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H](C(=O)O1)N=[N+]=[N-])O)N=[N+]=[N-]
InChI: InChI=1S/C5H6N6O3/c6-10-8-1-2-4(12)3(9-11-7)5(13)14-2/h2-4,12H,1H2/t2-,3+,4+/m1/s1
SMILES: CC[C@@H]([C@@H]1C[C@]1(C2=CC=CC=C2)C(=O)N(CC)CC)N=[N+]=[N-]
InChI: InChI=1S/C17H24N4O/c1-4-15(19-20-18)14-12-17(14,13-10-8-7-9-11-13)16(22)21(5-2)6-3/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)SC)OS(=O)(=O)N
InChI: InChI=1S/C19H27NO4S2/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(24-26(20,22)23)17(25-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1
SMILES: C=C[C@@H]1[C@@H]2CC(OC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)C[C@H](CC(=O)CCC4=CC=C(C=C4)O)O
InChI: InChI=1S/C30H38O13/c1-2-21-22-12-20(11-19(35)10-18(34)9-17(33)8-5-15-3-6-16(32)7-4-15)41-28(39)23(22)14-40-29(21)43-30-27(38)26(37)25(36)24(13-31)42-30/h2-4,6-7,14,18,20-22,24-27,29-32,34,36-38H,1,5,8-13H2/t18-,20?,21+,22-,24+,25+,26+,27+,29-,30-/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C30H24BrNO6/c1-32-29(36)19-10-9-17-20(26(19)30(32)37)12-21-27(24(34)13-22(31)28(21)35)25(17)18-8-7-16(11-23(18)33)38-14-15-5-3-2-4-6-15/h2-9,11,13,19-20,25-26,33H,10,12,14H2,1H3/t19-,20+,25+,26-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O[C@H]2C3=CC=C(C=C3)C#N)CO
InChI: InChI=1S/C17H15NO2/c18-10-12-6-8-14(9-7-12)17-16(15(11-19)20-17)13-4-2-1-3-5-13/h1-9,15-17,19H,11H2/t15-,16-,17+/m1/s1
SMILES: CN1CC[C@]2([C@@H]1C[C@@H](CC2)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13-,16+,17+/m1/s1