EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)OCC(=O)C4=CC(=C(C=C4)C)C)C
InChI: InChI=1S/C29H32O6/c1-16-5-7-20(11-18(16)3)24(30)14-34-28(32)26-22-9-10-23(13-22)27(26)29(33)35-15-25(31)21-8-6-17(2)19(4)12-21/h5-8,11-12,22-23,26-27H,9-10,13-15H2,1-4H3/t22-,23+,26-,27+
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3F
InChI: InChI=1S/C17H20FN3O2S/c1-11-6-2-5-9-14(11)19-15(22)10-24-17-21-20-16(23-17)12-7-3-4-8-13(12)18/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,19,22)/t11-,14+/m1/s1
SMILES: C[C@H]1[C@H](C=CC(O1)P(=O)(OC(C)C)OC(C)C)N2C=NC3=C2N=CN=C3Cl
InChI: InChI=1S/C17H24ClN4O4P/c1-10(2)25-27(23,26-11(3)4)14-7-6-13(12(5)24-14)22-9-21-15-16(18)19-8-20-17(15)22/h6-14H,1-5H3/t12-,13-,14?/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)N(CC(=O)N2)C3=C(C=C(C=C3)C(F)(F)F)Cl
InChI: InChI=1S/C13H12ClF3N2O3S/c14-8-3-7(13(15,16)17)1-2-10(8)19-4-12(20)18-9-5-23(21,22)6-11(9)19/h1-3,9,11H,4-6H2,(H,18,20)/t9-,11+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)CC(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI: InChI=1S/C16H17ClO4/c17-11-7-5-10(6-8-11)14(18)9-15(19)12-3-1-2-4-13(12)16(20)21/h5-8,12-13H,1-4,9H2,(H,20,21)/t12-,13+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@]12CC[C@H]([C@@H]1[O+]2[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C27H59O3Si3/c1-19(2)32(20(3)4,21(5)6)28-18-27-17-16-25(26(27)30(27)31(13,14)15)29-33(22(7)8,23(9)10)24(11)12/h19-26H,16-18H2,1-15H3/q+1/t25-,26+,27+/m1/s1
SMILES: CO[C@@H]1C[C@H](OC2=CC[C@H]3[C@@H]([C@H]12)C(=O)NC3=O)OC
InChI: InChI=1S/C13H17NO5/c1-17-8-5-9(18-2)19-7-4-3-6-10(11(7)8)13(16)14-12(6)15/h4,6,8-11H,3,5H2,1-2H3,(H,14,15,16)/t6-,8+,9-,10-,11-/m0/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)OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C45H40ClFN2O8/c1-45-35(42(52)49(44(45)54)29-12-18-37(47)36(46)23-29)24-34-32(40(45)26-8-13-30(14-9-26)57-21-20-50)16-17-33-39(34)43(53)48(41(33)51)28-10-5-25(6-11-28)4-7-27-22-31(55-2)15-19-38(27)56-3/h4-16,18-19,22-23,33-35,39-40,50H,17,20-21,24H2,1-3H3/t33-,34+,35-,39-,40-,45+/m0/s1
SMILES: C1=CC=C(C(=C1)OS(=O)(=O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H16O9S2/c13-5-7-9(14)10(15)11(16)12(20-7)22-8-4-2-1-3-6(8)21-23(17,18)19/h1-4,7,9-16H,5H2,(H,17,18,19)/t7-,9-,10+,11-,12+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@H]([C@@H]2C[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)SC2=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H52O4SSi3/c1-14-33(15-2,16-3)29-22-20(27-31(10,11)24(4,5)6)18-17-19(30-23(18)26)21(22)28-32(12,13)25(7,8)9/h18-22H,14-17H2,1-13H3/t18-,19+,20-,21-,22+/m0/s1
SMILES: CC(=O)C1=C(C=CC(=C1)[C@]23C[C@H]2CN(C3)CCCSC4=NN=C(N4C)C5=CC=C(C=C5)C(F)(F)F)OC
InChI: InChI=1S/C27H29F3N4O2S/c1-17(35)22-13-20(9-10-23(22)36-3)26-14-21(26)15-34(16-26)11-4-12-37-25-32-31-24(33(25)2)18-5-7-19(8-6-18)27(28,29)30/h5-10,13,21H,4,11-12,14-16H2,1-3H3/t21-,26+/m0/s1
SMILES: C1C=C[C@H]([C@H]2C=CC=C[C@@H]1C2=O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H22O7/c18-8-12-14(20)15(21)16(22)17(24-12)23-11-7-3-5-9-4-1-2-6-10(11)13(9)19/h1-4,6-7,9-12,14-18,20-22H,5,8H2/t9-,10+,11+,12+,14+,15-,16+,17-/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)NCC4=CC=CC=C4)CSC5=NN=CN5C
InChI: InChI=1S/C30H33N5O4S/c1-20-26(18-40-30-34-32-19-35(30)2)38-28(39-27(20)23-10-8-22(17-36)9-11-23)24-12-14-25(15-13-24)33-29(37)31-16-21-6-4-3-5-7-21/h3-15,19-20,26-28,36H,16-18H2,1-2H3,(H2,31,33,37)/t20-,26+,27+,28+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)OCC=C)NC(=O)C(F)(F)F)OC(=O)C
InChI: InChI=1S/C13H18F3NO5/c1-4-5-20-10-6-9(17-12(19)13(14,15)16)11(7(2)21-10)22-8(3)18/h4,7,9-11H,1,5-6H2,2-3H3,(H,17,19)/t7-,9-,10+,11-/m0/s1
SMILES: CC1=CC=C(C=C1)/C=C/[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)O)C)O
InChI: InChI=1S/C27H32O2/c1-18-3-5-19(6-4-18)11-15-27(29)16-13-25-24-9-7-20-17-21(28)8-10-22(20)23(24)12-14-26(25,27)2/h3-6,8,10-11,15,17,23-25,28-29H,7,9,12-14,16H2,1-2H3/b15-11+/t23-,24-,25+,26+,27+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17+,18-,19+,22+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](C([C@H]([C@H](C2OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O)O)O
InChI: InChI=1S/C27H28O7/c28-21-22(29)24(32-16-18-10-4-1-5-11-18)26(34-27(31)20-14-8-3-9-15-20)25(23(21)30)33-17-19-12-6-2-7-13-19/h1-15,21-26,28-30H,16-17H2/t21?,22-,23+,24-,25-,26?/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H19N3O6S/c1-2-28-16-8-6-13(7-9-16)20-17-11-29(26,27)12-18(17)21(19(20)23)14-4-3-5-15(10-14)22(24)25/h3-10,17-18H,2,11-12H2,1H3/t17-,18-/m0/s1
SMILES: CCOC(=O)C1=C(OC(=C1)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C)[C@@H]4[C@@H]5[C@H]([C@@H](O4)CO)OC(O5)(C)C
InChI: InChI=1S/C23H32O11/c1-6-27-21(26)10-7-11(15-19-16(12(8-24)29-15)31-22(2,3)33-19)28-14(10)18-20-17(13(9-25)30-18)32-23(4,5)34-20/h7,12-13,15-20,24-25H,6,8-9H2,1-5H3/t12-,13+,15+,16-,17+,18-,19+,20+/m1/s1
SMILES: CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2CC(=O)[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)OC(=O)CC)C
InChI: InChI=1S/C31H48O7/c1-7-26(33)37-20-13-14-30(4)19(15-20)16-24(38-27(34)8-2)29-22-11-10-21(18(3)9-12-28(35)36-6)31(22,5)25(32)17-23(29)30/h18-24,29H,7-17H2,1-6H3/t18-,19+,20-,21-,22+,23+,24-,29+,30+,31-/m1/s1
SMILES: COC1=CC=CC=C1CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)CC4CC5CCC4C5
InChI: InChI=1S/C33H41IN2O6/c1-41-28-8-4-2-6-22(28)12-14-36(31(38)20-24-17-21-10-11-23(24)16-21)27-18-25(33(40)35-13-15-37)19-30(32(27)39)42-29-9-5-3-7-26(29)34/h2-9,19,21,23-24,27,30,32,37,39H,10-18,20H2,1H3,(H,35,40)/t21?,23?,24?,27-,30+,32+/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O)C
InChI: InChI=1S/C17H20N2O4/c1-9-7-13(14(17(22)23)8-10(9)2)16(21)19-12-5-3-11(4-6-12)15(18)20/h3-6,13-14H,7-8H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/t13-,14-/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@@H]1CCC[C@H]([C@@H]1[N+](=O)[O-])C2=CC=CC=C2
InChI: InChI=1S/C18H25NO4/c1-18(2,3)23-16(20)12-14-10-7-11-15(17(14)19(21)22)13-8-5-4-6-9-13/h4-6,8-9,14-15,17H,7,10-12H2,1-3H3/t14-,15-,17+/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C47H45N3O9/c1-56-26-27-58-46(55)49-37-23-22-31(21-20-30-12-5-2-6-13-30)28-36(37)47(45(49)54)38(43(48)52)40-44(53)59-41(33-16-9-4-10-17-33)39(32-14-7-3-8-15-32)50(40)42(47)34-18-11-19-35(29-34)57-25-24-51/h3-4,7-12,14-19,22-23,28-29,38-42,51H,2,5-6,13,24-27H2,1H3,(H2,48,52)/t38-,39-,40-,41+,42+,47-/m1/s1
SMILES: COC1=CC=CC=C1CCNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-25-16-9-5-2-6-13(16)10-11-20-17(22)12-21-18(23)14-7-3-4-8-15(14)19(21)24/h2-6,9,14-15H,7-8,10-12H2,1H3,(H,20,22)/t14-,15-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6CCCCC6
InChI: InChI=1S/C30H30BrNO5/c1-14-10-16(11-15(2)27(14)34)24-18-8-9-19-25(30(37)32(29(19)36)17-6-4-3-5-7-17)20(18)12-21-26(24)23(33)13-22(31)28(21)35/h8,10-11,13,17,19-20,24-25,34H,3-7,9,12H2,1-2H3/t19-,20+,24-,25-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3CC[C@@]4(C[C@@H](C[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C25H34O7/c1-15(27)32-18-3-7-23(14-26)19-4-6-22(2)10-17(16-9-21(28)31-13-16)11-25(22,30)20(19)5-8-24(23,29)12-18/h9,14,17-20,29-30H,3-8,10-13H2,1-2H3/t17-,18-,19+,20+,22+,23+,24-,25-/m0/s1
SMILES: CN([C@H]1[C@H](S(=O)(=O)OC2=C1CCCC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H23NO3S/c1-22(17-12-6-3-7-13-17)20-18-14-8-9-15-19(18)25-26(23,24)21(20)16-10-4-2-5-11-16/h2-7,10-13,20-21H,8-9,14-15H2,1H3/t20-,21-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O
InChI: InChI=1S/C21H15N3O5/c1-11-9-16(11)18-8-5-12(29-18)10-22-23-20(25)14-4-2-3-13-17(24(27)28)7-6-15(19(13)14)21(23)26/h2-8,10-11,16H,9H2,1H3/b22-10-/t11-,16-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CC=C(C=C5)F)C)C)NC(=O)N2)C
InChI: InChI=1S/C42H57FN4O10/c1-11-32-42(8)36(44-40(52)45-42)24(4)33(48)22(2)21-41(7,53-18-12-13-29-20-30(46-57-29)27-14-16-28(43)17-15-27)37(25(5)34(49)26(6)38(51)55-32)56-39-35(50)31(47(9)10)19-23(3)54-39/h14-17,20,22-26,31-32,35-37,39,50H,11,18-19,21H2,1-10H3,(H2,44,45,52)/t22-,23-,24+,25+,26-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@H](N(O2)CC3=CC=CC=C3OCC4=CC=CC=N4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)S(=O)(=O)O1
InChI: InChI=1S/C33H26N2O5S/c36-41(37)33-29(20-39-41)40-35(18-24-6-1-2-10-28(24)38-19-25-9-3-4-17-34-25)32(33)27-16-14-23-12-11-21-7-5-8-22-13-15-26(27)31(23)30(21)22/h1-17,29,32-33H,18-20H2/t29-,32-,33+/m1/s1
SMILES: CC(=O)C1=C([C@@]2([C@@H](C[C@H]3C(=C(C4=C([C@@]3(C)O)C=CC=C4O)O)C2=O)[C@@H](C1=O)N(C)C)O)O
InChI: InChI=1S/C23H25NO8/c1-9(25)14-19(28)17(24(3)4)12-8-11-16(21(30)23(12,32)20(14)29)18(27)15-10(22(11,2)31)6-5-7-13(15)26/h5-7,11-12,17,26-27,29,31-32H,8H2,1-4H3/t11-,12-,17-,22+,23+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C=CC6=C(C=CC(=C6)OC)OC)C7=CC=CC(=C7O)CC=C
InChI: InChI=1S/C42H37NO7/c1-5-7-25-8-6-9-30(40(25)46)36-29-17-18-31-37(32(29)22-33-34(44)20-23(2)39(45)38(33)36)42(48)43(41(31)47)27-14-11-24(12-15-27)10-13-26-21-28(49-3)16-19-35(26)50-4/h5-6,8-17,19-21,31-32,36-37,46H,1,7,18,22H2,2-4H3/t31-,32+,36+,37-/m0/s1
SMILES: CCCCNC1=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)CC1=NCCCC)C
InChI: InChI=1S/C35H62N2/c1-8-10-21-36-32-23-27-15-16-28-30-18-17-29(26(5)14-12-13-25(3)4)34(30,6)20-19-31(28)35(27,7)24-33(32)37-22-11-9-2/h24-31,37H,8-23H2,1-7H3/t26-,27+,28+,29-,30+,31+,34-,35+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C(C=C2[C@@H]1O)[Se]C3=CC=CC=C3)C)CC[C@@H]4C[C@@H](OC(O4)(C)C)CCO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O
InChI: InChI=1S/C44H60O5SeSi/c1-30-27-39(45)41-37(31(2)40(29-38(41)42(30)46)50-34-17-11-8-12-18-34)24-23-32-28-33(49-44(6,7)48-32)25-26-47-51(43(3,4)5,35-19-13-9-14-20-35)36-21-15-10-16-22-36/h8-22,29-33,37,39-42,45-46H,23-28H2,1-7H3/t30-,31-,32-,33+,37+,39+,40?,41-,42-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC=C)CC(=O)C5=CC(=CC=C5)C(=O)N)OC(=O)OCC=C
InChI: InChI=1S/C41H39N2O8P/c1-4-24-49-40(47)39(52(31-18-9-6-10-19-31,32-20-11-7-12-21-32)33-22-13-8-14-23-33)43-34(27-35(44)29-16-15-17-30(26-29)37(42)45)36(38(43)46)28(3)51-41(48)50-25-5-2/h4-23,26,28,34,36H,1-2,24-25,27H2,3H3,(H2,42,45)/t28-,34-,36-/m1/s1
SMILES: COC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC9=CC=CC=C9C=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C54H58N2O10/c1-3-27-63-54-50(56(53(59)60-2)33-37-19-23-48-49(28-37)62-35-61-48)32-46(55-64-34-36-13-5-4-6-14-36)44-30-40(17-9-11-25-57)43(18-10-12-26-58)51(52(44)54)45-31-42(22-24-47(45)66-54)65-41-21-20-38-15-7-8-16-39(38)29-41/h3-8,13-16,19-24,28-31,40,43,50-52,57-58H,1,9-12,17-18,25-27,32-35H2,2H3/t40-,43+,50-,51+,52+,54+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C([C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)(CO)O)O)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H42O12/c1-12-18(37-13(2)30)9-17-22(35)24-27(8,20(38-14(3)31)10-19(34)28(24,36)11-29)25(40-16(5)33)23(39-15(4)32)21(12)26(17,6)7/h17-20,22-25,29,34-36H,9-11H2,1-8H3/t17-,18-,19-,20-,22+,23+,24-,25-,27+,28?/m0/s1
SMILES: CCC(C)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
InChI: InChI=1S/C18H28N6O5S/c1-3-9(2)23-15-12-16(21-7-20-15)24(8-22-12)17-14(26)13(25)11(29-17)6-30-5-4-10(19)18(27)28/h7-11,13-14,17,25-26H,3-6,19H2,1-2H3,(H,27,28)(H,20,21,23)/t9?,10-,11+,13+,14+,17+/m0/s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3C)C(=O)N(C2=O)C)C
InChI: InChI=1S/C18H22N2O4/c1-5-24-17(23)18(3)13-12(15(21)20(4)16(13)22)14(19-18)11-9-7-6-8-10(11)2/h6-9,12-14,19H,5H2,1-4H3/t12-,13+,14-,18+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)[C@H]3CC(=NO3)C(C)C)O
InChI: InChI=1S/C15H20N2O5/c1-6(2)9-5-11(22-16-9)8-4-10-12(7(3)18)14(19)17(10)13(8)15(20)21/h6-7,10-12,18H,4-5H2,1-3H3,(H,20,21)/t7-,10-,11-,12-/m1/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@H]2[C@@H]([C@H](O1)C(C)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)OC(O2)(C)C
InChI: InChI=1S/C34H52N2O6S/c1-6-7-8-9-10-11-12-13-14-15-24-39-33-32-31(41-34(4,5)42-32)30(40-33)26(3)35-27-18-20-28(21-19-27)36-43(37,38)29-22-16-25(2)17-23-29/h16-23,26,30-33,35-36H,6-15,24H2,1-5H3/t26?,30-,31-,32-,33-/m1/s1
SMILES: CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=CC=CC=C6C7=CC=CC=C7)C(=C1OC)O)OC
InChI: InChI=1S/C41H44N4O7/c1-21-37(49-4)26-18-29-34-33-27(38(50-5)22(2)40(52-7)36(33)47)17-28(44(34)3)30(19-42)45(29)31(32(26)35(46)39(21)51-6)20-43-41(48)25-16-12-11-15-24(25)23-13-9-8-10-14-23/h8-16,28-31,34,46-47H,17-18,20H2,1-7H3,(H,43,48)/t28-,29-,30-,31-,34-/m0/s1
SMILES: CCOP(=O)(C(=O)NC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI: InChI=1S/C14H21N6O7P/c1-4-25-28(24,14(23)16-3)26-7-10-9(18-19-15)5-11(27-10)20-6-8(2)12(21)17-13(20)22/h6,9-11H,4-5,7H2,1-3H3,(H,16,23)(H,17,21,22)/t9-,10+,11+,28?/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C18H26O10/c19-6-10-12(20)15(23)17(27-10)26-8-11-13(21)14(22)16(24)18(28-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11+,12-,13+,14-,15+,16+,17+,18+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)COC3=CC=C(C=C3)C#N
InChI: InChI=1S/C20H22N4O5/c21-11-13-5-7-14(8-6-13)29-12-18(26)23-22-17(25)9-10-24-19(27)15-3-1-2-4-16(15)20(24)28/h5-8,15-16H,1-4,9-10,12H2,(H,22,25)(H,23,26)/t15-,16+
SMILES: COC(=O)[C@@H]1CS[C@@H]2N1C(=O)[C@@H]([C@H]([C@@H]2O)O)N=[N+]=[N-]
InChI: InChI=1S/C9H12N4O5S/c1-18-9(17)3-2-19-8-6(15)5(14)4(11-12-10)7(16)13(3)8/h3-6,8,14-15H,2H2,1H3/t3-,4+,5+,6-,8-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)COC)COC)[C@@H]2CC(=O)N2C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H25NO6/c1-18(24-14(10-21-2)15(25-18)11-22-3)16-9-17(20)19(16)12-5-7-13(23-4)8-6-12/h5-8,14-16H,9-11H2,1-4H3/t14-,15-,16-/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)OC(F)(F)F)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C39H34ClF3N2O6/c40-22-10-7-13-24(18-22)45-35(48)30-20-28-26(15-16-27-32(28)36(49)44(34(27)47)23-11-5-2-6-12-23)33(38(30,37(45)50)21-8-3-1-4-9-21)29-19-25(14-17-31(29)46)51-39(41,42)43/h1,3-4,7-10,13-15,17-19,23,27-28,30,32-33,46H,2,5-6,11-12,16,20H2/t27-,28+,30-,32-,33+,38+/m0/s1
SMILES: C/C=C/1\C[C@@H]([C@](C(=O)OCC2=CCN3[C@@H]2[C@H](CC3)OC1=O)(C)O)C
InChI: InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m0/s1
SMILES: C[NH+]1CC[NH+](CC1)CC(=O)N2[C@@H]([C@H]3CCC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H27FN4O/c1-27-12-14-28(15-13-27)16-22(30)29-24(18-6-9-19(25)10-7-18)21-11-8-17-4-2-3-5-20(17)23(21)26-29/h2-7,9-10,21,24H,8,11-16H2,1H3/p+2/t21-,24+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](S[C@H]3N4C=C(C(=O)NC4=O)Br)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C41H47BrN2O4SSi2/c1-40(2,3)50(30-19-11-7-12-20-30,31-21-13-8-14-22-31)47-28-34-36(49-38(34)44-27-35(42)37(45)43-39(44)46)29-48-51(41(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-27,34,36,38H,28-29H2,1-6H3,(H,43,45,46)/t34-,36-,38-/m1/s1
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)C
InChI: InChI=1S/C37H65NO10/c1-14-27-22(5)29(39)23(6)31-19(2)16-37(10,48-31)33(47-35-30(40)26(38(11)12)15-20(3)44-35)24(7)32(25(8)34(41)45-27)46-28-18-36(9,42-13)17-21(4)43-28/h20-30,32-33,35,39-40H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30-,32+,33-,35+,36+,37-/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=S)N2[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C#N)C4=CC=CO4
InChI: InChI=1S/C22H20N2O6S/c23-10-14-13(16-7-4-8-29-16)9-15(12-5-2-1-3-6-12)24(22(14)31)21-20(28)19(27)18(26)17(11-25)30-21/h1-9,17-21,25-28H,11H2/t17-,18+,19+,20-,21-/m1/s1
SMILES: CCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O
InChI: InChI=1S/C20H38O11/c1-2-3-4-5-6-7-8-28-10-12-13(22)14(23)17(26)20(30-12)31-18-11(9-21)29-19(27)16(25)15(18)24/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N=C3N2C(=CS3)C4=CC(=C(C=C4)F)F
InChI: InChI=1S/C15H14F2N2S/c16-10-6-5-9(7-11(10)17)14-8-20-15-18-12-3-1-2-4-13(12)19(14)15/h5-8,12-13H,1-4H2/t12-,13-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)CI
InChI: InChI=1S/C21H29IO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
SMILES: CC[C@H](C)C(=O)OC1CC(=O)[C@@H]2[C@@]([C@@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)CCC4=CC(=O)OC4
InChI: InChI=1S/C29H40O10/c1-7-16(2)26(34)39-23-12-21(32)25-27(6,9-8-20-11-24(33)35-13-20)17(3)10-22(38-19(5)31)28(25,14-36-18(4)30)29(23)15-37-29/h11,16-17,22-23,25H,7-10,12-15H2,1-6H3/t16-,17+,22-,23?,25+,27-,28+,29+/m0/s1
SMILES: CCCC(C)NC(=O)C1[C@@H]([C@H](CN1C(=O)C2=CN=CC=C2)O)O
InChI: InChI=1S/C16H23N3O4/c1-3-5-10(2)18-15(22)13-14(21)12(20)9-19(13)16(23)11-6-4-7-17-8-11/h4,6-8,10,12-14,20-21H,3,5,9H2,1-2H3,(H,18,22)/t10?,12-,13?,14+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C(C)(C)C
InChI: InChI=1S/C17H26N2O5/c1-11-7-5-6-8-17(11)14(22)19(15(23)18-17)9-13(21)24-10-12(20)16(2,3)4/h11H,5-10H2,1-4H3,(H,18,23)/t11-,17-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O
InChI: InChI=1S/C15H25FN2O5Si/c1-15(2,3)24(4,5)22-8-9-12(20)11(16)13(23-9)18-7-6-10(19)17-14(18)21/h6-7,9,11-13,20H,8H2,1-5H3,(H,17,19,21)/t9-,11-,12-,13-/m1/s1
SMILES: CN(C1=CC=CC=C1)C(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C19H20N2O3/c1-20(14-5-3-2-4-6-14)15(22)9-10-21-18(23)16-12-7-8-13(11-12)17(16)19(21)24/h2-8,12-13,16-17H,9-11H2,1H3/t12-,13+,16-,17+
SMILES: CCCOC(=O)C1=C(N=C2C[C@H]([C@@H](C(=O)[C@@H]2[C@@H]1C3=CC=CC=C3OC)C(=O)OC)C)C
InChI: InChI=1S/C24H29NO6/c1-6-11-31-24(28)19-14(3)25-16-12-13(2)18(23(27)30-5)22(26)21(16)20(19)15-9-7-8-10-17(15)29-4/h7-10,13,18,20-21H,6,11-12H2,1-5H3/t13-,18+,20-,21+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC[C@H](CN4C5=CC=CC=C5N=N4)O
InChI: InChI=1S/C23H22N4O4/c28-16(13-26-21-8-4-3-7-20(21)24-25-26)14-31-17-11-9-15(10-12-17)27-22(29)18-5-1-2-6-19(18)23(27)30/h1-4,7-12,16,18-19,28H,5-6,13-14H2/t16-,18-,19-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4[C@@H]5COC(=O)C5=C)O)C)O
InChI: InChI=1S/C24H36O4/c1-14-17(13-28-21(14)26)18-8-11-24(27)20-5-4-15-12-16(25)6-9-22(15,2)19(20)7-10-23(18,24)3/h15-20,25,27H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19+,20-,22+,23-,24?/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H24ClN3O2S/c1-11-5-4-6-16(12(11)2)21-17(24)13(3)26-19-23-22-18(25-19)14-7-9-15(20)10-8-14/h7-13,16H,4-6H2,1-3H3,(H,21,24)/t11-,12+,13+,16-/m0/s1
SMILES: C1=CC(=O)N(C=C1)C2=CC(=C(C=C2)NC(=O)[C@@H]3[C@H]([C@@H]3C(=O)NC4=CC=C(C=C4)Cl)CO)F
InChI: InChI=1S/C23H19ClFN3O4/c24-13-4-6-14(7-5-13)26-22(31)20-16(12-29)21(20)23(32)27-18-9-8-15(11-17(18)25)28-10-2-1-3-19(28)30/h1-11,16,20-21,29H,12H2,(H,26,31)(H,27,32)/t16-,20-,21+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)(O)O
InChI: InChI=1S/C38H30BClFN3O7/c40-23-8-6-21(7-9-23)38-31(35(47)44(37(38)49)42-25-12-10-24(41)11-13-25)19-30-28(33(38)20-4-14-27(45)15-5-20)16-17-29-32(30)36(48)43(34(29)46)26-3-1-2-22(18-26)39(50)51/h1-16,18,29-33,42,45,50-51H,17,19H2/t29-,30+,31-,32-,33-,38+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CC2=C([C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CC[C@@H]([C@H]4[C@@](O4)(C[C@H](C[C@@H]1C)C)C)C)C)O[Si](C)(C)C(C)(C)C)C)C(=C(C(=C2OC)C)OC)O
InChI: InChI=1S/C43H78O7Si2/c1-18-52(19-2,20-3)49-34-24-32-35(36(44)40(46-15)31(9)38(32)45-14)39-30(8)37(50-51(16,17)42(10,11)12)29(7)33(47-39)22-21-27(5)41-43(13,48-41)25-26(4)23-28(34)6/h26-30,33-34,37,39,41,44H,18-25H2,1-17H3/t26-,27-,28-,29-,30+,33+,34-,37-,39+,41-,43-/m0/s1
SMILES: C1C[C@@H]([C@H]([C@@H](C1)OC2=CC=CC=C2)O)N3CCC(CC3)(C4=CC=CC=C4)O
InChI: InChI=1S/C23H29NO3/c25-22-20(12-7-13-21(22)27-19-10-5-2-6-11-19)24-16-14-23(26,15-17-24)18-8-3-1-4-9-18/h1-6,8-11,20-22,25-26H,7,12-17H2/t20-,21+,22+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCC(=C)[C@H]3C[C@H](C4=CC(=O)OC4O)O)C)(C)C
InChI: InChI=1S/C25H38O4/c1-15-7-8-20-24(4,12-9-19-23(2,3)10-6-11-25(19,20)5)17(15)14-18(26)16-13-21(27)29-22(16)28/h13,17-20,22,26,28H,1,6-12,14H2,2-5H3/t17-,18-,19+,20+,22?,24+,25+/m1/s1
SMILES: COC(=O)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC=O)N
InChI: InChI=1S/C11H18N2O7/c1-19-11(18)7-2-5(12)8(13-4-15)10(20-7)9(17)6(16)3-14/h2,4-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)/t5-,6+,8+,9+,10+/m0/s1
SMILES: CC1=CC(=C(C=C1C)[C@@H]2C[C@@H]([C@@](CN2C)(C)O)O)C
InChI: InChI=1S/C16H25NO2/c1-10-6-12(3)13(7-11(10)2)14-8-15(18)16(4,19)9-17(14)5/h6-7,14-15,18-19H,8-9H2,1-5H3/t14-,15-,16-/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)N(C1=O)N)C(=O)[C@H](C2CCCC2)NC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)/C=C/C4=CC=C(C=C4)C#N
InChI: InChI=1S/C31H33N5O5/c1-19-27(31(41)36(33)30(19)40)29(39)28(23-9-5-6-10-23)35-26(38)17-24(22-7-3-2-4-8-22)34-25(37)16-15-20-11-13-21(18-32)14-12-20/h2-4,7-8,11-16,19,23-24,27-28H,5-6,9-10,17,33H2,1H3,(H,34,37)(H,35,38)/b16-15+/t19-,24-,27+,28-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([NH2+][C@@H]2C(=O)O)C3=CC=CC=C3)C(=O)O.[Cl-]
InChI: InChI=1S/C18H17NO4.ClH/c20-17(21)14-13(11-7-3-1-4-8-11)16(18(22)23)19-15(14)12-9-5-2-6-10-12;/h1-10,13-16,19H,(H,20,21)(H,22,23);1H/t13-,14-,15+,16+;/m1./s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC(C#N)C2=CC(=CC=C2)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H22ClN3O4S/c22-15-8-10-17(11-9-15)30(28,29)25-19-7-2-1-6-18(19)21(27)24-20(13-23)14-4-3-5-16(26)12-14/h3-5,8-12,18-20,25-26H,1-2,6-7H2,(H,24,27)/t18-,19-,20?/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N(C)C(=O)C2[C@@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H25NO/c1-18(19-12-6-3-7-13-19)26(2)25(27)24-22(20-14-8-4-9-15-20)23(24)21-16-10-5-11-17-21/h3-18,22-24H,1-2H3/t18-,22-,23+,24?/m0/s1
SMILES: COC1=CC[C@]2(CCC(=C3[C@H]2CCCN3)C(=O)OC)C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChI: InChI=1S/C17H23NO3.3CO.Fe/c1-20-12-5-8-17(9-6-12)10-7-13(16(19)21-2)15-14(17)4-3-11-18-15;3*1-2;/h5-6,8,14,18H,3-4,7,9-11H2,1-2H3;;;;/t14-,17+;;;;/m1..../s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCCCNC(=O)C)CN5CC6(CC5CC(C6)(C)C)C
InChI: InChI=1S/C44H59N3O5/c1-30-39(26-47-29-44(5)24-37(47)23-43(3,4)28-44)51-42(52-41(30)34-16-14-32(27-48)15-17-34)35-20-18-33(19-21-35)38-12-9-8-11-36(38)25-46-40(50)13-7-6-10-22-45-31(2)49/h8-9,11-12,14-21,30,37,39,41-42,48H,6-7,10,13,22-29H2,1-5H3,(H,45,49)(H,46,50)/t30-,37?,39+,41+,42+,44?/m0/s1
SMILES: CC(=O)C1=CC2=C(O1)C=CC3=C2O[C@@H]4[C@H]3COC5=C4C=CC(=C5)O
InChI: InChI=1S/C19H14O5/c1-9(20)16-7-13-15(23-16)5-4-11-14-8-22-17-6-10(21)2-3-12(17)19(14)24-18(11)13/h2-7,14,19,21H,8H2,1H3/t14-,19-/m0/s1
SMILES: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[C@@]12CC[C@@H](C1)C([C@@H]2[N+]3=CC4=CC=CC=C4CC3)(C)C
InChI: InChI=1S/C24H20B.C19H26N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-18(2)16-8-10-19(3,12-16)17(18)20-11-9-14-6-4-5-7-15(14)13-20/h1-20H;4-7,13,16-17H,8-12H2,1-3H3/q-1;+1/t;16-,17-,19+/m.0/s1
SMILES: C(C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H24O10/c14-3-6-9(17)10(18)7(15)4(22-6)1-2-5-8(16)11(19)12(20)13(21)23-5/h4-21H,1-3H2/t4-,5+,6+,7-,8-,9-,10+,11-,12+,13?/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)C(O[C@@H]2[C@H](CO)O)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C16H20O7/c1-16(2)22-12-11(10(18)8-17)20-15(13(12)23-16)21-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3/t10-,11+,12-,13-,15?/m0/s1
SMILES: CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCON=C2[C@H]3CCN4C(=O)N(C(=O)N4[C@H]3[C@@H]([C@H]5[C@@H]2O5)O)C6=CC=CC=C6)OC7=CC=C(C=C7)OC
InChI: InChI=1S/C35H41N5O10/c1-3-17-36-33(42)46-20-27-26(48-23-11-9-22(45-2)10-12-23)14-13-24(49-27)16-19-47-37-28-25-15-18-38-34(43)39(21-7-5-4-6-8-21)35(44)40(38)29(25)30(41)32-31(28)50-32/h4-14,24-27,29-32,41H,3,15-20H2,1-2H3,(H,36,42)/t24-,25+,26-,27+,29+,30-,31+,32-/m0/s1