EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC(=CC=C5)O)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C33H27N3O5/c1-34-31(40)35-16-15-24-27(36(35)32(34)41)19-26-30(39)25(20-9-4-2-5-10-20)18-28(38)33(26,22-12-6-3-7-13-22)29(24)21-11-8-14-23(37)17-21/h2-15,17-18,26-27,29,37H,16,19H2,1H3/t26-,27+,29-,33-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@]34COC(O2)(O[C@@]3(CCC[C@@H]4[C@@]15C[C@H](OC5=O)C6=COC=C6)CCl)C
InChI: InChI=1S/C22H27ClO6/c1-13-8-17-22-12-26-19(2,28-17)29-20(22,11-23)6-3-4-16(22)21(13)9-15(27-18(21)24)14-5-7-25-10-14/h5,7,10,13,15-17H,3-4,6,8-9,11-12H2,1-2H3/t13-,15+,16-,17+,19?,20+,21-,22+/m1/s1
SMILES: C[NH+]1C[C@H]2[C@@H](C([C@@H](C(=C2C=C1)C#N)[NH3+])(C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C19H16ClN5/c1-25-7-6-12-14(8-21)18(24)19(10-22,11-23)17(15(12)9-25)13-4-2-3-5-16(13)20/h2-7,15,17-18H,9,24H2,1H3/p+2/t15-,17+,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=C(N(C(=C3)C)CC=C)C
InChI: InChI=1S/C21H27N3O4/c1-5-10-22-14(3)11-16(15(22)4)18(25)12-23-19(26)20(27)24(21(23)28)17-9-7-6-8-13(17)2/h5,11,13,17H,1,6-10,12H2,2-4H3/t13-,17+/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)Br)CCC(=O)N4CC[C@@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C30H34BrNO5/c1-19-24-9-11-26(36-18-21-6-5-8-23(31)16-21)20(2)28(24)37-29(34)25(19)10-12-27(33)32-15-14-30(35)13-4-3-7-22(30)17-32/h5-6,8-9,11,16,22,35H,3-4,7,10,12-15,17-18H2,1-2H3/t22-,30-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C34H36N2O8/c1-34-24(31(41)36(33(34)43)20-9-5-3-6-10-20)18-23-21(29(34)19-12-15-26(44-2)25(37)17-19)13-14-22-28(23)32(42)35(30(22)40)16-8-4-7-11-27(38)39/h3,5-6,9-10,12-13,15,17,22-24,28-29,37H,4,7-8,11,14,16,18H2,1-2H3,(H,38,39)/t22-,23+,24-,28-,29-,34+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H33N3O2/c1-16-5-4-6-20(17(16)2)22-21(25)15-23-11-13-24(14-12-23)18-7-9-19(26-3)10-8-18/h7-10,16-17,20H,4-6,11-15H2,1-3H3,(H,22,25)/t16-,17+,20+/m0/s1
SMILES: CC1=NC(=CS1)/C=C(\C)/[C@H](C/C=C(/C)\CC/C=C/C(=O)N2[C@H]3C[C@@H]4CC[C@]3(C4(C)C)CS2(=O)=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H52N2O4S2Si/c1-23(15-16-28(39-42(9,10)31(4,5)6)24(2)19-27-21-40-25(3)34-27)13-11-12-14-30(36)35-29-20-26-17-18-33(29,32(26,7)8)22-41(35,37)38/h12,14-15,19,21,26,28-29H,11,13,16-18,20,22H2,1-10H3/b14-12+,23-15-,24-19+/t26-,28-,29-,33-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)F)C3=CC=CC4=C3CC5=CC=CC=C54)CCCO
InChI: InChI=1S/C31H32FNO4/c1-2-36-31-26(11-6-16-34)28(18-29(37-31)30(35)33-19-20-12-14-22(32)15-13-20)25-10-5-9-24-23-8-4-3-7-21(23)17-27(24)25/h3-5,7-10,12-15,18,26,28,31,34H,2,6,11,16-17,19H2,1H3,(H,33,35)/t26-,28+,31+/m0/s1
SMILES: C1CO[C@@H]2[C@H]1[C@H]3[C@H]4[C@@H]([C@@H]2C(=C3C#N)C#N)CCO4
InChI: InChI=1S/C14H14N2O2/c15-5-9-10(6-16)12-8-2-4-18-14(8)11(9)7-1-3-17-13(7)12/h7-8,11-14H,1-4H2/t7-,8-,11-,12-,13-,14-/m1/s1
SMILES: COC1=C(C=C(C=C1)[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)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C39H37ClFN3O8/c1-52-31-17-6-21(19-30(31)45)34-26-15-16-27-33(37(50)43(35(27)48)18-4-2-3-5-32(46)47)28(26)20-29-36(49)44(42-25-13-11-24(41)12-14-25)38(51)39(29,34)22-7-9-23(40)10-8-22/h6-15,17,19,27-29,33-34,42,45H,2-5,16,18,20H2,1H3,(H,46,47)/t27-,28+,29-,33-,34-,39+/m0/s1
SMILES: CC1=NOC(=N1)[C@@H]2C[C@@](N([C@H]2C3=NC=CS3)C(=O)C4=CC=C(C=C4)C(C)(C)C)(CC(C)C)C(=O)O
InChI: InChI=1S/C26H32N4O4S/c1-15(2)13-26(24(32)33)14-19(21-28-16(3)29-34-21)20(22-27-11-12-35-22)30(26)23(31)17-7-9-18(10-8-17)25(4,5)6/h7-12,15,19-20H,13-14H2,1-6H3,(H,32,33)/t19-,20-,26+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C36H26ClF7N2O6/c1-34-23(31(49)46(33(34)51)18-4-7-25(38)24(37)13-18)14-22-20(29(34)15-3-8-26(47)27(9-15)52-2)5-6-21-28(22)32(50)45(30(21)48)19-11-16(35(39,40)41)10-17(12-19)36(42,43)44/h3-5,7-13,21-23,28-29,47H,6,14H2,1-2H3/t21-,22+,23-,28-,29-,34+/m0/s1
SMILES: CC[C@]1(CCC[C@]2([C@H]1CC[C@@]3([C@@H]2CC(=O)[C@]4([C@H]3C[C@@H]([C@@H]5[C@@H]4CO[C@]5(C)OCC)OC(=O)C)C)C)C)C
InChI: InChI=1S/C31H50O5/c1-9-27(4)13-11-14-28(5)22(27)12-15-29(6)23(28)17-25(33)30(7)20-18-35-31(8,34-10-2)26(20)21(16-24(29)30)36-19(3)32/h20-24,26H,9-18H2,1-8H3/t20-,21-,22-,23+,24-,26-,27-,28-,29+,30+,31-/m0/s1
SMILES: CC([C@H]1CC[C@@H]2[C@@]1(C[C@@H](C3[C@H]2CCC(=O)C3)O)C)O
InChI: InChI=1S/C16H26O3/c1-9(17)13-5-6-14-11-4-3-10(18)7-12(11)15(19)8-16(13,14)2/h9,11-15,17,19H,3-8H2,1-2H3/t9?,11-,12?,13-,14+,15+,16-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC(=CC5=CC(=CC=C5)F)C4=O)C)O
InChI: InChI=1S/C26H31FO2/c1-25-10-8-20(28)15-18(25)6-7-21-22(25)9-11-26(2)23(21)14-17(24(26)29)12-16-4-3-5-19(27)13-16/h3-6,12-13,20-23,28H,7-11,14-15H2,1-2H3/t20-,21+,22-,23+,25-,26+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H18N2O7/c1-14-6-10-16(11-7-14)28-25(32)20-21(26(28)33)27(23(30)18-4-2-3-5-19(18)24(27)31)36-22(20)15-8-12-17(13-9-15)29(34)35/h2-13,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CN4CCCCC5=C4[C@@]3(CCC5=O)C
InChI: InChI=1S/C27H42N2O2/c1-25(2,3)28-24(31)21-10-9-19-18-16-29-15-7-6-8-17-22(30)12-14-27(5,23(17)29)20(18)11-13-26(19,21)4/h18-21H,6-16H2,1-5H3,(H,28,31)/t18-,19-,20-,21+,26-,27+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C=CC7=CC(=C(C=C7)O)OC)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl
InChI: InChI=1S/C43H32Cl2F5N5O6/c1-53(2)23-10-6-21(7-11-23)51-52-22-8-12-24(13-9-22)54-38(57)26-15-14-25-27(31(26)39(54)58)19-42(44)40(59)55(37-35(49)33(47)32(46)34(48)36(37)50)41(60)43(42,45)28(25)16-4-20-5-17-29(56)30(18-20)61-3/h4-14,16-18,26-28,31,56H,15,19H2,1-3H3/t26-,27+,28-,31-,42+,43-/m0/s1
SMILES: CCCCCCCCCCCCOS(=O)(=O)O.C1[C@H]([C@H](O[C@@H]([C@H]1O)CN)O[C@@H]2[C@H](C[C@H](C([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N
InChI: InChI=1S/C18H37N5O9.C12H26O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h5-18,24-28H,1-4,19-23H2;2-12H2,1H3,(H,13,14,15)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16?,17+,18+;/m0./s1
SMILES: CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H](C[C@@H](O1)COCC2=CC=CC=C2)C(=O)OC)/C)/C)C
InChI: InChI=1S/C28H40O4/c1-21(2)11-9-12-22(3)13-10-14-23(4)17-27-26(28(29)30-5)18-25(32-27)20-31-19-24-15-7-6-8-16-24/h6-8,11,13,15-17,25-27H,9-10,12,14,18-20H2,1-5H3/b22-13+,23-17+/t25-,26+,27-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(O2)COC3=C(C=CC=C3C)C
InChI: InChI=1S/C20H27N3O3S/c1-13-7-4-5-10-16(13)21-17(24)12-27-20-23-22-18(26-20)11-25-19-14(2)8-6-9-15(19)3/h6,8-9,13,16H,4-5,7,10-12H2,1-3H3,(H,21,24)/t13-,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC/C(=N/NC(=O)CN(CCN=C(N)N)CCN=C(N)N)/C4)C)C
InChI: InChI=1S/C35H65N9O/c1-23(2)7-6-8-24(3)28-11-12-29-27-10-9-25-21-26(13-15-34(25,4)30(27)14-16-35(28,29)5)42-43-31(45)22-44(19-17-40-32(36)37)20-18-41-33(38)39/h23-25,27-30H,6-22H2,1-5H3,(H,43,45)(H4,36,37,40)(H4,38,39,41)/b42-26-/t24-,25?,27+,28-,29+,30+,34+,35-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H](/C=C/[C@H]3[C@H](CCN3C(=O)OCC4=CC=CC=C4)OCOC)O
InChI: InChI=1S/C34H43NO6Si/c1-34(2,3)42(29-16-10-6-11-17-29,30-18-12-7-13-19-30)41-25-28(36)20-21-31-32(40-26-38-4)22-23-35(31)33(37)39-24-27-14-8-5-9-15-27/h5-21,28,31-32,36H,22-26H2,1-4H3/b21-20+/t28-,31-,32-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)C(=C([C@@H]2O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)F)COCC5=CC=CC=C5)C
InChI: InChI=1S/C32H37FO4Si/c1-31(2,3)38(24-17-11-7-12-18-24,25-19-13-8-14-20-25)37-29-27(33)26(28-30(29)36-32(4,5)35-28)22-34-21-23-15-9-6-10-16-23/h6-20,28-30H,21-22H2,1-5H3/t28-,29+,30-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=O)[C@@H](N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C24H21N3O11/c1-13(38-24(31)37-12-15-4-8-17(9-5-15)27(34)35)20-18-10-19(28)21(25(18)22(20)29)23(30)36-11-14-2-6-16(7-3-14)26(32)33/h2-9,13,18,20-21H,10-12H2,1H3/t13-,18-,20-,21-/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)C=CC(=O)[C@H]2Br)(C)OC)OC
InChI: InChI=1S/C12H17BrO5/c1-11(15-3)12(2,16-4)18-10-8(17-11)6-5-7(14)9(10)13/h5-6,8-10H,1-4H3/t8-,9-,10+,11+,12+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H15Cl2NO2/c20-11-5-6-14(16(21)9-11)18-13-3-1-2-12(13)15-8-10(19(23)24)4-7-17(15)22-18/h1-2,4-9,12-13,18,22H,3H2,(H,23,24)/t12-,13-,18+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCC2=CC=CC=C2Br)O)O)N
InChI: InChI=1S/C13H19BrN2O3/c14-8-4-2-1-3-7(8)6-19-13-10(16)5-9(15)11(17)12(13)18/h1-4,9-13,17-18H,5-6,15-16H2/t9-,10+,11+,12-,13-/m1/s1
SMILES: CC(=O)OC[C@@]12CC=C3[C@H]([C@@H]1[C@H]4C[C@H]([C@@H]2O4)OC(=O)C)[C@H]5C[C@H]([C@@H]3O5)OC(=O)C
InChI: InChI=1S/C21H26O8/c1-9(22)25-8-21-5-4-12-17(13-6-15(19(12)28-13)26-10(2)23)18(21)14-7-16(20(21)29-14)27-11(3)24/h4,13-20H,5-8H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20+,21+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1[C@@H]3[C@H](CC2)C(=C)C(=O)O3
InChI: InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12-,13+,15-/m1/s1
SMILES: C1=C([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)C(F)(F)F
InChI: InChI=1S/C11H10F3N5O2/c12-11(13,14)4-1-5(8(21)7(4)20)19-3-18-6-9(15)16-2-17-10(6)19/h1-3,5,7-8,20-21H,(H2,15,16,17)/t5-,7-,8+/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)C(C#N)C#N)C)C
InChI: InChI=1S/C30H48N2/c1-20(2)7-6-8-21(3)26-11-12-27-25-10-9-24-17-22(23(18-31)19-32)13-15-29(24,4)28(25)14-16-30(26,27)5/h20-28H,6-17H2,1-5H3/t21-,22+,24+,25-,26+,27+,28-,29+,30-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO[Si](C)(C)C(C)(C)C)[Se]C3=CC=CC=C3
InChI: InChI=1S/C22H32N2O4SeSi/c1-15-13-24(21(26)23-19(15)25)20-18(29-17-10-8-7-9-11-17)12-16(28-20)14-27-30(5,6)22(2,3)4/h7-11,13,16,18,20H,12,14H2,1-6H3,(H,23,25,26)/t16-,18+,20+/m0/s1
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
InChI: InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
SMILES: CC1(O[C@@H]([C@@H]2[C@H](O1)[C@H]([C@@H](O2)C(=O)OC)O)CO)C
InChI: InChI=1S/C11H18O7/c1-11(2)17-5(4-12)7-8(18-11)6(13)9(16-7)10(14)15-3/h5-9,12-13H,4H2,1-3H3/t5-,6-,7-,8-,9-/m1/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OC=C5CNC(=O)CNC(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C40H48N4O11S/c1-26(2)21-44(22-34(45)33(17-27-9-5-3-6-10-27)43-40(48)55-36-25-53-38-31(36)15-16-51-38)56(49,50)30-13-14-35-32(18-30)29(24-52-35)19-41-37(46)20-42-39(47)54-23-28-11-7-4-8-12-28/h3-14,18,24,26,31,33-34,36,38,45H,15-17,19-23,25H2,1-2H3,(H,41,46)(H,42,47)(H,43,48)/t31-,33-,34+,36?,38+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[Si](C)(C)C(C)(C)C)(CCO)O
InChI: InChI=1S/C39H50N2O9Si/c1-26-24-41(36(44)40-34(26)43)35-38(45,22-23-42)33(50-51(7,8)37(2,3)4)32(49-35)25-48-39(27-12-10-9-11-13-27,28-14-18-30(46-5)19-15-28)29-16-20-31(47-6)21-17-29/h9-21,24,32-33,35,42,45H,22-23,25H2,1-8H3,(H,40,43,44)/t32-,33-,35-,38-/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC[C@H]3[C@@H]2CCCC3)Br
InChI: InChI=1S/C19H24BrNO4/c1-24-17-9-8-14(11-15(17)20)19(23)25-12-18(22)21-10-4-6-13-5-2-3-7-16(13)21/h8-9,11,13,16H,2-7,10,12H2,1H3/t13-,16-/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCCC8=CC=CC=N8
InChI: InChI=1S/C54H52N4O13/c1-66-31-32-70-53(65)57-41-25-24-34(15-14-22-39(49(61)67-2)50(62)68-3)33-40(41)54(52(57)64)43(48(60)56-28-26-37-20-12-13-27-55-37)45-51(63)71-46(36-18-8-5-9-19-36)44(35-16-6-4-7-17-35)58(45)47(54)38-21-10-11-23-42(38)69-30-29-59/h4-13,16-21,23-25,27,33,39,43-47,59H,22,26,28-32H2,1-3H3,(H,56,60)/t43-,44-,45-,46+,47+,54-/m1/s1
SMILES: COC1=CC2=C3C4=C5C(=C(C=C14)OC)C=CC6=C5C7=C(C=C[C@]8([C@]73C9=C1[C@H]3C=C[C@@H](C1=CC(=C9[C@H]2C8=O)OC)O3)CC1=CC=CC=C1)C(=C6OC)OC
InChI: InChI=1S/C46H34O7/c1-48-30-17-26-31(49-2)19-27-37-38-32(50-3)18-25-28-13-14-29(53-28)33(25)41(38)46-39-24(15-16-45(46,44(37)47)20-21-9-7-6-8-10-21)43(52-5)42(51-4)23-12-11-22(30)34(35(23)39)36(26)40(27)46/h6-19,28-29,37H,20H2,1-5H3/t28-,29+,37-,45-,46+/m0/s1
SMILES: COC(=O)C1=C([C@@H]2[C@@H]3[C@H]([C@H]1O2)[C@@H]4C=C[C@@]35C(=CC4=O)C(=CC5=O)Br)C(=O)OC
InChI: InChI=1S/C20H15BrO7/c1-26-18(24)13-14(19(25)27-2)17-15-12(16(13)28-17)7-3-4-20(15)8(5-10(7)22)9(21)6-11(20)23/h3-7,12,15-17H,1-2H3/t7-,12-,15+,16-,17-,20+/m1/s1
SMILES: C[C@@H]1CC=C2[C@H]([C@]1(C)CCO)CCC[C@@]2(C)CCCC(=C)C
InChI: InChI=1S/C21H36O/c1-16(2)8-6-12-20(4)13-7-9-19-18(20)11-10-17(3)21(19,5)14-15-22/h11,17,19,22H,1,6-10,12-15H2,2-5H3/t17-,19-,20-,21-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C17H18N2O3/c1-11(20)12-6-8-13(9-7-12)18-10-19-16(21)14-4-2-3-5-15(14)17(19)22/h2-3,6-9,14-15,18H,4-5,10H2,1H3/t14-,15-/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)CCCC(=O)O)CN5CCC[C@H]5CO
InChI: InChI=1S/C36H44N2O7/c1-24-32(21-38-18-4-7-31(38)23-40)44-36(45-35(24)28-12-10-25(22-39)11-13-28)29-16-14-27(15-17-29)30-6-2-5-26(19-30)20-37-33(41)8-3-9-34(42)43/h2,5-6,10-17,19,24,31-32,35-36,39-40H,3-4,7-9,18,20-23H2,1H3,(H,37,41)(H,42,43)/t24-,31+,32+,35+,36+/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(Cl)(Cl)Cl)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C42H41Cl3N2O4/c1-29-38(27-47(25-30-10-4-2-5-11-30)26-31-12-6-3-7-13-31)50-40(51-39(29)34-20-18-32(28-48)19-21-34)37-17-9-16-36(23-37)35-15-8-14-33(22-35)24-46-41(49)42(43,44)45/h2-23,29,38-40,48H,24-28H2,1H3,(H,46,49)/t29-,38+,39+,40+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H20O7/c1-13(24)27-21-20(29-22(26)15-7-5-4-6-8-15)18-16(30-23(21,2)3)11-9-14-10-12-17(25)28-19(14)18/h4-12,20-21H,1-3H3/t20-,21-/m0/s1
SMILES: COCCCN1C[C@]23C=C[C@H](O2)[C@H]([C@@H]3C1=O)C(=O)[O-]
InChI: InChI=1S/C13H17NO5/c1-18-6-2-5-14-7-13-4-3-8(19-13)9(12(16)17)10(13)11(14)15/h3-4,8-10H,2,5-7H2,1H3,(H,16,17)/p-1/t8-,9+,10+,13-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@@H](CN1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C27H31NO3/c1-4-10-22(11-5-1)18-29-21-25-16-28-17-26(30-19-23-12-6-2-7-13-23)27(25)31-20-24-14-8-3-9-15-24/h1-15,25-28H,16-21H2/t25-,26-,27+/m1/s1
SMILES: C1[C@H]2C[C@H]3C[C@@H]1C/C(=N\NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/[C@H]3C2
InChI: InChI=1S/C16H18N4O4/c21-19(22)12-1-2-14(16(8-12)20(23)24)17-18-15-7-10-3-9-4-11(5-10)13(15)6-9/h1-2,8-11,13,17H,3-7H2/b18-15+/t9-,10+,11-,13-/m0/s1
SMILES: C1[C@H]2[C@H](C3[C@@H]1C3[C@H]2O[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O5/c10-8(11)6-3-1-2-4(6)5(2)7(3)14-9(12)13/h2-7H,1H2/t2-,3+,4?,5?,6-,7+/m1/s1
SMILES: COC(=O)[C@@H]1C[C@H](O[C@H]1C2=CC=C(C=C2)Br)COC3=CC=CC=C3
InChI: InChI=1S/C19H19BrO4/c1-22-19(21)17-11-16(12-23-15-5-3-2-4-6-15)24-18(17)13-7-9-14(20)10-8-13/h2-10,16-18H,11-12H2,1H3/t16-,17+,18-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)[C@H](C#N)C(=N)C
InChI: InChI=1S/C19H27N3O4/c1-11-5-4-6-16(12(11)2)22-9-14(7-18(22)24)19(25)26-10-17(23)15(8-20)13(3)21/h11-12,14-16,21H,4-7,9-10H2,1-3H3/t11-,12-,14-,15-,16+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(O)S[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C
InChI: InChI=1S/C20H27N4O10PS2/c1-9-5-23(19(29)21-17(9)27)15-3-11(12(7-25)32-15)34-35(31,36)37-14-4-16(33-13(14)8-26)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,36)(H,21,27,29)(H,22,28,30)/t11-,12+,13+,14-,15+,16+,35?/m0/s1
SMILES: C[C@@]12CC[C@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3C/C(=C\C5=CC=CC=C5Cl)/[C@@H]4O)C)O
InChI: InChI=1S/C26H33ClO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,24,28-29H,8-12,14-15H2,1-2H3/b17-13+/t19-,20-,21+,22-,24+,25-,26-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)[C@@H]2CC3=C(C=CC(=C3)Cl)OC2
InChI: InChI=1S/C19H26ClN3O2S/c1-11-4-3-5-16(12(11)2)21-19(26)23-22-18(24)14-8-13-9-15(20)6-7-17(13)25-10-14/h6-7,9,11-12,14,16H,3-5,8,10H2,1-2H3,(H,22,24)(H2,21,23,26)/t11-,12-,14-,16-/m1/s1
SMILES: C[C@@H]1[C@H]2CC(=O)[C@@H]3[C@]4([C@@H](C[C@@H]5[C@@]3([C@@H]2OC(O5)(C)C)C1=O)C(CCC4=O)(C)C)C
InChI: InChI=1S/C23H32O5/c1-11-12-9-13(24)17-22(6)14(20(2,3)8-7-15(22)25)10-16-23(17,18(11)26)19(12)28-21(4,5)27-16/h11-12,14,16-17,19H,7-10H2,1-6H3/t11-,12-,14+,16-,17-,19-,22+,23+/m1/s1
SMILES: CC12[C@@H]([C@@H](C(C3=CC=CC=C31)(C4=CC=CC=C24)C)SCC5=CC=CC=C5)N=CC6=C7C=CC=CC7=CC8=CC=CC=C86
InChI: InChI=1S/C40H33NS/c1-39-33-20-10-12-22-35(33)40(2,36-23-13-11-21-34(36)39)38(42-26-27-14-4-3-5-15-27)37(39)41-25-32-30-18-8-6-16-28(30)24-29-17-7-9-19-31(29)32/h3-25,37-38H,26H2,1-2H3/t37-,38+,39?,40?/m1/s1
SMILES: C1[C@H]2[C@@H]([C@H](S1)C(CCCC(=O)O)O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C24H28N2O4S/c27-20(12-7-13-21(28)29)23-22-19(16-31-23)25(14-17-8-3-1-4-9-17)24(30)26(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-20,22-23,27H,7,12-16H2,(H,28,29)/t19-,20?,22-,23+/m0/s1
SMILES: C[C@H]1[C@@H](OC(=O)C2=CSC(=N2)[C@H](C(OC(=O)C3=CSC(=N3)[C@@H](OC1=O)C(C)(C)O)(C)C)O)CCCC(C)(Cl)Cl
InChI: InChI=1S/C25H32Cl2N2O8S2/c1-12-15(8-7-9-25(6,26)27)35-21(32)13-10-38-18(28-13)16(30)24(4,5)37-22(33)14-11-39-19(29-14)17(23(2,3)34)36-20(12)31/h10-12,15-17,30,34H,7-9H2,1-6H3/t12-,15-,16+,17+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC[C@@H](CN2CCC(CC2)C)O)C(C)C
InChI: InChI=1S/C19H37NO2/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20/h14-19,21H,5-13H2,1-4H3/t16-,17-,18-,19+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OCC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C17H18N5O6P/c1-11-8-22(17(24)19-16(11)23)15-7-13(20-21-18)14(28-15)10-27-29(25)26-9-12-5-3-2-4-6-12/h2-6,8,13-15H,7,9-10H2,1H3/p+1/t13-,14+,15+/m0/s1
SMILES: CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C19H22N2O3S/c1-2-11-7-8-12-15(10-20)18(25-16(12)9-11)21-17(22)13-5-3-4-6-14(13)19(23)24/h3-4,11,13-14H,2,5-9H2,1H3,(H,21,22)(H,23,24)/p-1/t11-,13+,14+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C39H30BrClFN3O5/c1-39-29(36(48)45(38(39)50)24-12-15-31(42)30(41)18-24)19-27-25(34(39)28-17-20(40)7-16-32(28)46)13-14-26-33(27)37(49)44(35(26)47)23-10-8-22(9-11-23)43-21-5-3-2-4-6-21/h2-13,15-18,26-27,29,33-34,43,46H,14,19H2,1H3/t26-,27+,29-,33-,34+,39+/m0/s1
SMILES: CC1(OCC(O1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C
InChI: InChI=1S/C12H22O8/c1-12(2)18-5-6(20-12)4-17-11-10(16)9(15)8(14)7(3-13)19-11/h6-11,13-16H,3-5H2,1-2H3/t6?,7-,8+,9+,10-,11-/m1/s1
SMILES: CC1=CC[C@]2(CC[C@H]([C@@H]2CC1)[C@@](C)(CCC=C(C)C)O)C
InChI: InChI=1S/C20H34O/c1-15(2)7-6-12-20(5,21)18-11-14-19(4)13-10-16(3)8-9-17(18)19/h7,10,17-18,21H,6,8-9,11-14H2,1-5H3/t17-,18+,19-,20+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC5=CC=C(C=C5)OC(C)C(=O)O)C
InChI: InChI=1S/C24H32O8/c1-13-5-10-19-14(2)21(28-17-8-6-16(7-9-17)27-15(3)20(25)26)29-22-24(19)18(13)11-12-23(4,30-22)31-32-24/h6-9,13-15,18-19,21-22H,5,10-12H2,1-4H3,(H,25,26)/t13-,14-,15?,18+,19+,21?,22-,23-,24-/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3
InChI: InChI=1S/C19H19NO4/c1-13-11-15(13)19(22)23-12-18(21)20-16-9-5-6-10-17(16)24-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t13-,15-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC4=NC=CC(=N4)C5=CC=CC(=C5)C#N
InChI: InChI=1S/C25H20F3N5O4/c26-25(27,28)16-5-2-6-17(10-16)31-24(34)37-20-13-36-21-19(12-35-22(20)21)33-23-30-8-7-18(32-23)15-4-1-3-14(9-15)11-29/h1-10,19-22H,12-13H2,(H,31,34)(H,30,32,33)/t19-,20+,21+,22+/m0/s1
SMILES: CC1=CC=CC=C1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](CC3=CC=CC=C3)NC(=O)CC(C)(C)C(=O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)N=[N+]=[N-])O)(C)C
InChI: InChI=1S/C40H50N8O9S/c1-23-12-10-11-15-26(23)19-42-35(52)33-40(5,6)58-22-48(33)36(53)32(50)28(16-25-13-8-7-9-14-25)43-30(49)18-39(3,4)37(54)56-21-29-27(45-46-41)17-31(57-29)47-20-24(2)34(51)44-38(47)55/h7-15,20,27-29,31-33,50H,16-19,21-22H2,1-6H3,(H,42,52)(H,43,49)(H,44,51,55)/t27-,28-,29+,31+,32-,33+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C
InChI: InChI=1S/C22H35N3O3S/c1-16-13-18(3)22(19(4)14-16)29(27,28)25-11-9-24(10-12-25)15-21(26)23-20-8-6-5-7-17(20)2/h13-14,17,20H,5-12,15H2,1-4H3,(H,23,26)/t17-,20+/m0/s1
SMILES: CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)O[C@@H](C)C(=O)NC(=O)N)C2=CC=C(C=C2)OC
InChI: InChI=1S/C21H29N3O6/c1-4-5-12-24-17(25)11-10-16(18(24)14-6-8-15(29-3)9-7-14)20(27)30-13(2)19(26)23-21(22)28/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H3,22,23,26,28)/t13-,16+,18+/m0/s1
SMILES: C1CC[C@@]23CCN([C@@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5
InChI: InChI=1S/C24H29NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23-,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)NC(=O)C2=CC=C(C=C2)C(C3=CC=CN3)C4=CC=CN4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H33N3O9/c1-16(33)38-15-23-26(39-17(2)34)27(40-18(3)35)25(29(37-4)41-23)32-28(36)20-11-9-19(10-12-20)24(21-7-5-13-30-21)22-8-6-14-31-22/h5-14,23-27,29-31H,15H2,1-4H3,(H,32,36)/t23-,25-,26-,27-,29-/m1/s1
SMILES: CC(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)O)OC4=CC(=NC5=C4C=C(CCCCCOC(=O)N1)C(=C5)OC)C6=CSC(=N6)NC(C)C
InChI: InChI=1S/C38H48N6O8S/c1-7-23-17-38(23,35(47)48)43-33(45)29-14-24-18-44(29)34(46)32(20(2)3)42-37(49)51-12-10-8-9-11-22-13-25-26(15-30(22)50-6)40-27(16-31(25)52-24)28-19-53-36(41-28)39-21(4)5/h7,13,15-16,19-21,23-24,29,32H,1,8-12,14,17-18H2,2-6H3,(H,39,41)(H,42,49)(H,43,45)(H,47,48)/t23-,24-,29+,32+,38-/m1/s1
SMILES: CC(CN[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)O
InChI: InChI=1S/C24H27NO8/c1-11(26)8-25-22-14-7-17-16(32-10-33-17)6-13(14)20(21-15(22)9-31-24(21)28)12-4-18(29-2)23(27)19(5-12)30-3/h4-7,11,15,20-22,25-27H,8-10H2,1-3H3/t11?,15-,20+,21-,22+/m0/s1
SMILES: C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CC4=CC=CC=C4F)C)C=C(C=C3)O
InChI: InChI=1S/C21H24FNO/c1-14-20-11-15-7-8-17(24)12-18(15)21(14,2)9-10-23(20)13-16-5-3-4-6-19(16)22/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
SMILES: CCCCN1C(=O)[C@H](C(=O)NC1=O)C=N[C@@H]2CCCC[C@H]2[NH3+]
InChI: InChI=1S/C15H24N4O3/c1-2-3-8-19-14(21)10(13(20)18-15(19)22)9-17-12-7-5-4-6-11(12)16/h9-12H,2-8,16H2,1H3,(H,18,20,22)/p+1/t10-,11+,12+/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)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN(C)CC6=CC=CC=C6
InChI: InChI=1S/C43H47N3O6S/c1-30-14-24-38(25-15-30)53(49,50)45-39(26-32-10-6-4-7-11-32)42(48)44-37-22-20-36(21-23-37)43-51-40(28-46(3)27-33-12-8-5-9-13-33)31(2)41(52-43)35-18-16-34(29-47)17-19-35/h4-25,31,39-41,43,45,47H,26-29H2,1-3H3,(H,44,48)/t31-,39-,40+,41+,43+/m1/s1
SMILES: CC(C)CC[C@@]([C@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O
InChI: InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24+,27+,28-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC(=O)[C@H]4[C@]3(CCC5[C@]46CC[C@](C5(C)C)(OC6)O)C)C)C(=O)OC)(C)C
InChI: InChI=1S/C36H52O7/c1-10-21(2)28(38)43-26-19-30(3,4)18-23-22-17-24(37)27-33(8,32(22,7)13-15-35(23,26)29(39)41-9)12-11-25-31(5,6)36(40)16-14-34(25,27)20-42-36/h10,17,23,25-27,40H,11-16,18-20H2,1-9H3/b21-10-/t23-,25?,26+,27-,32+,33+,34+,35-,36+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)C)C
InChI: InChI=1S/C24H26N2O3/c1-14-8-11-18-20(12-14)24(29)26(23(18)28)21-7-5-4-6-19(21)22(27)25-17-10-9-15(2)16(3)13-17/h4-7,9-10,13-14,18,20H,8,11-12H2,1-3H3,(H,25,27)/t14-,18-,20+/m1/s1