EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H24FN3O2S2/c1-14-4-2-3-5-19(14)23-20(27)22-16-8-10-17(11-9-16)24-28(25,26)18-12-6-15(21)7-13-18/h6-14,19,24H,2-5H2,1H3,(H2,22,23,27)/t14-,19+/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=CC(=C3Cl)Cl)C4=CC=CC=N4
InChI: InChI=1S/C17H14Cl2N2/c18-13-8-7-12-10-4-3-5-11(10)16(21-17(12)15(13)19)14-6-1-2-9-20-14/h1-4,6-11,16,21H,5H2/t10-,11-,16+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CC2=CC(=C(C=C2)OC)F
InChI: InChI=1S/C18H26FN3O2S/c1-11-5-4-6-15(12(11)2)20-18(25)22-21-17(23)10-13-7-8-16(24-3)14(19)9-13/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,21,23)(H2,20,22,25)/t11-,12-,15-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](SC2(C)C)[C@@](C3=CC=CC=C3)([C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)O
InChI: InChI=1S/C29H50O3SSi/c1-19(2)34(20(3)4,21(5)6)32-23(8)29(30,24-14-12-11-13-15-24)27-31-26-18-22(7)16-17-25(26)28(9,10)33-27/h11-15,19-23,25-27,30H,16-18H2,1-10H3/t22-,23-,25-,26-,27-,29+/m1/s1
SMILES: C[C@]12[C@H](C=C(C(C1=C(OC2=O)N3CCCC3)(C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OCC6=CC=CC=C6
InChI: InChI=1S/C39H47NO4Si/c1-37(2,3)45(31-20-12-8-13-21-31,32-22-14-9-15-23-32)43-28-30-26-33(42-27-29-18-10-7-11-19-29)39(6)34(38(30,4)5)35(44-36(39)41)40-24-16-17-25-40/h7-15,18-23,26,33H,16-17,24-25,27-28H2,1-6H3/t33-,39-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3
InChI: InChI=1S/C21H34N4OS/c1-4-13-25-20(17-10-6-5-7-11-17)23-24-21(25)27-14-19(26)22-18-12-8-9-15(2)16(18)3/h4,15-18H,1,5-14H2,2-3H3,(H,22,26)/t15-,16+,18-/m1/s1
SMILES: CC(=O)NCSC[C@@H](C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-])NC(=O)OC(C)(C)C
InChI: InChI=1S/C17H28N4O9S/c1-9(22)18-8-31-7-11(20-16(24)29-17(2,3)4)15(23)19-10-5-27-14-12(30-21(25)26)6-28-13(10)14/h10-14H,5-8H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)/t10-,11-,12-,13+,14+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)[C@H]3[C@@H](N4CCCN4[C@H]3C2=O)C5=CC=CC=C5
InChI: InChI=1S/C22H23N3O2/c1-14-9-10-15(2)17(13-14)25-21(26)18-19(16-7-4-3-5-8-16)23-11-6-12-24(23)20(18)22(25)27/h3-5,7-10,13,18-20H,6,11-12H2,1-2H3/t18-,19-,20+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)OC3=CC=C(C=C3)C(=O)N)C(=O)O)O
InChI: InChI=1S/C15H14N2O6S/c1-6(18)9-12(20)17-10(14(21)22)15(24-13(9)17)23-8-4-2-7(3-5-8)11(16)19/h2-6,9,13,18H,1H3,(H2,16,19)(H,21,22)/t6-,9+,13-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)/C=C/C2=CC=C(O2)Br)C(C)C
InChI: InChI=1S/C19H25BrO5/c1-12(2)15-7-4-13(3)10-16(15)25-19(22)11-23-18(21)9-6-14-5-8-17(20)24-14/h5-6,8-9,12-13,15-16H,4,7,10-11H2,1-3H3/b9-6+/t13-,15+,16+/m0/s1
SMILES: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)COC(=O)C3=CC(=C(C(=C3)O)O)O
InChI: InChI=1S/C22H26O13/c1-31-13-3-9(8-33-21(30)10-5-11(24)16(26)12(25)6-10)4-14(32-2)20(13)35-22-19(29)18(28)17(27)15(7-23)34-22/h3-6,15,17-19,22-29H,7-8H2,1-2H3/t15-,17-,18+,19-,22+/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC(=CC(=C2)C)C
InChI: InChI=1S/C19H24N2O6/c1-11-4-12(2)6-14(5-11)20-18(23)10-27-19(24)8-15-16(9-21(25)26)13(3)7-17(15)22/h4-6,13,15-16H,7-10H2,1-3H3,(H,20,23)/t13-,15-,16-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OS(=O)(=O)C)C
InChI: InChI=1S/C10H18O8S/c1-10(2)16-8-7(18-19(3,13)14)6(5(12)4-11)15-9(8)17-10/h5-9,11-12H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H21F3N2O4S/c1-2-29-18(27)16-17(25-19(31)26-20(16,28)21(22,23)24)14-8-10-15(11-9-14)30-12-13-6-4-3-5-7-13/h3-11,16-17,28H,2,12H2,1H3,(H2,25,26,31)/t16-,17-,20-/m1/s1
SMILES: C1CCO[C@]2(C1)[C@H](CC[C@@H](O2)CCCO)OCC3=CC=CC=C3
InChI: InChI=1S/C19H28O4/c20-13-6-9-17-10-11-18(19(23-17)12-4-5-14-22-19)21-15-16-7-2-1-3-8-16/h1-3,7-8,17-18,20H,4-6,9-15H2/t17-,18-,19-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C2(Cl)Cl)/C=N\NC(=O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H13Cl3N2O/c18-13-8-4-7-12(9-13)16(23)22-21-10-14-15(17(14,19)20)11-5-2-1-3-6-11/h1-10,14-15H,(H,22,23)/b21-10-/t14-,15-/m1/s1
SMILES: CC1(O[C@H]2[C@H](NC(=O)N[C@@H]([C@@H]2O1)CC3=CC(=CC=C3)O)CC4=CC(=CC=C4)O)C
InChI: InChI=1S/C22H26N2O5/c1-22(2)28-19-17(11-13-5-3-7-15(25)9-13)23-21(27)24-18(20(19)29-22)12-14-6-4-8-16(26)10-14/h3-10,17-20,25-26H,11-12H2,1-2H3,(H2,23,24,27)/t17-,18-,19+,20+/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1
InChI: InChI=1S/C55H54N4O12/c1-66-29-30-68-54(65)58-43-20-18-36(11-8-9-26-60)31-42(43)55(53(58)64)46(51(62)57-24-22-56(23-25-57)34-37-19-21-44-45(32-37)70-35-69-44)48-52(63)71-49(39-14-6-3-7-15-39)47(38-12-4-2-5-13-38)59(48)50(55)40-16-10-17-41(33-40)67-28-27-61/h2-7,10,12-21,31-33,46-50,60-61H,9,22-30,34-35H2,1H3/t46-,47-,48-,49+,50+,55-/m1/s1
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)OS(=O)(=O)C)C)[C@@]1(CC[C@@H]2[C@@]5([C@H](OC(O5)(C)C)CCC(C)(C)O)C)O
InChI: InChI=1S/C31H50O9S/c1-26(2,34)12-11-25-30(7,40-27(3,4)38-25)24-10-14-31(35)19-15-21(32)20-16-22(33)23(39-41(8,36)37)17-28(20,5)18(19)9-13-29(24,31)6/h15,18,20,22-25,33-35H,9-14,16-17H2,1-8H3/t18-,20-,22+,23-,24-,25+,28+,29+,30+,31+/m0/s1
SMILES: CC1(O[C@H]2C=C[C@H]([C@@H]([C@H]2O1)O)N=[N+]=[N-])C
InChI: InChI=1S/C9H13N3O3/c1-9(2)14-6-4-3-5(11-12-10)7(13)8(6)15-9/h3-8,13H,1-2H3/t5-,6+,7+,8+/m1/s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1C(C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O)O)N4C=CC(=O)NC4=O)O
InChI: InChI=1S/C24H24F4N4O11/c1-40-16-15(36)21(32-5-4-13(34)31-23(32)39)42-17(16)18(19(29)37)43-22-14(35)11(33)7-12(41-22)20(38)30-8-2-3-10(25)9(6-8)24(26,27)28/h2-7,11,14-18,21-22,33,35-36H,1H3,(H2,29,37)(H,30,38)(H,31,34,39)/t11-,14-,15+,16-,17-,18?,21+,22+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(CCC(=O)O)O)C
InChI: InChI=1S/C23H32O4/c1-21-7-3-13(24)11-18(21)14-12-15(14)20-16(21)4-8-22(2)17(20)5-9-23(22,27)10-6-19(25)26/h11,14-17,20,27H,3-10,12H2,1-2H3,(H,25,26)/t14-,15+,16+,17+,20-,21-,22+,23-/m1/s1
SMILES: C[C@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=CN=C5)C)C)O
InChI: InChI=1S/C25H38N2O2/c1-23(29)10-11-24(2)17(14-23)4-5-18-19-6-7-21(25(19,3)9-8-20(18)24)22(28)15-27-13-12-26-16-27/h12-13,16-21,29H,4-11,14-15H2,1-3H3/t17-,18-,19-,20-,21+,23+,24-,25-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]([C@H]2CO[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3)CCCCCCCCCC[C@@H]([C@@H](C)C=C)O
InChI: InChI=1S/C39H63NO5SSi/c1-9-32(3)37(41)24-20-15-13-11-10-12-14-19-23-35-38(44-29-33-21-17-16-18-22-33)36(30-45-47(7,8)39(4,5)6)40(35)46(42,43)34-27-25-31(2)26-28-34/h9,16-18,21-22,25-28,32,35-38,41H,1,10-15,19-20,23-24,29-30H2,2-8H3/t32-,35-,36+,37-,38+/m0/s1
SMILES: CSC1=CC=C(C=C1)/C=N\NC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C18H18N2OS/c1-22-15-9-7-13(8-10-15)12-19-20-18(21)17-11-16(17)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3,(H,20,21)/b19-12-/t16-,17-/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC
InChI: InChI=1S/C17H24N2O4S/c1-12-10-14(12)17(20)18-15-11-13(6-7-16(15)23-2)24(21,22)19-8-4-3-5-9-19/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,18,20)/t12-,14+/m0/s1
SMILES: C[C@H]1C[C@@]2([C@@H](CC3=CC=CC=C3O2)[C@@H]([C@@H]1CNCCCN(C)C)C)C
InChI: InChI=1S/C22H36N2O/c1-16-14-22(3)20(13-18-9-6-7-10-21(18)25-22)17(2)19(16)15-23-11-8-12-24(4)5/h6-7,9-10,16-17,19-20,23H,8,11-15H2,1-5H3/t16-,17+,19+,20-,22+/m0/s1
SMILES: C/C=C/C1=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/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13+,17-/m1/s1
SMILES: CCO[C@H]1[C@H](CCC2=C(C(=O)O[C@@H]12)C3=CC=CC=C3)C
InChI: InChI=1S/C17H20O3/c1-3-19-15-11(2)9-10-13-14(17(18)20-16(13)15)12-7-5-4-6-8-12/h4-8,11,15-16H,3,9-10H2,1-2H3/t11-,15-,16+/m0/s1
SMILES: C[C@H]1[C@H](C2=CC3=C(C=C2O[C@@H]1O)OCO3)C4=C(C(=CC=C4)OC)O
InChI: InChI=1S/C18H18O6/c1-9-16(10-4-3-5-12(21-2)17(10)19)11-6-14-15(23-8-22-14)7-13(11)24-18(9)20/h3-7,9,16,18-20H,8H2,1-2H3/t9-,16-,18-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H]3[C@@H]([C@@H]4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC=C6)F
InChI: InChI=1S/C26H18FN3O3/c27-17-10-6-11-18(13-17)29-25(32)20-21(26(29)33)23(24(31)15-7-2-1-3-8-15)30-22(20)19-12-5-4-9-16(19)14-28-30/h1-14,20-23H/t20-,21+,22+,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]([C@@H]2[C@H](C1)O2)O
InChI: InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-6-9(13)11-10(7-8)14-11/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)COC(=S)N(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H36N4O8S2Si/c1-13-10-26(19(28)25(7)17(13)27)18-16(33-37(8,9)21(2,3)4)22(14(23)12-36(29,30)34-22)15(32-18)11-31-20(35)24(5)6/h10,12,15-16,18H,11,23H2,1-9H3/t15-,16+,18-,22-/m1/s1
SMILES: C(CN(CCNC(=O)CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)CCNC(=O)CS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)O)O)O)O)N
InChI: InChI=1S/C20H38N4O12S2/c21-1-4-24(5-2-22-9(25)7-37-19-15(31)11(27)13(29)17(33)35-19)6-3-23-10(26)8-38-20-16(32)12(28)14(30)18(34)36-20/h11-20,27-34H,1-8,21H2,(H,22,25)(H,23,26)/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20-/m0/s1
SMILES: CC(C)OC1=N[C@]2([C@@H](C=C1C#N)[C@@H]3[C@H]2OC=C3)C
InChI: InChI=1S/C14H16N2O2/c1-8(2)18-13-9(7-15)6-11-10-4-5-17-12(10)14(11,3)16-13/h4-6,8,10-12H,1-3H3/t10-,11+,12-,14+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)O[C@@H]1[C@@H](C[C@H]([C@@H]([C@H]1O)O)O)OC)OC
InChI: InChI=1S/C30H58O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-22-24(35-2)23-38-30(34)39-29-26(36-3)21-25(31)27(32)28(29)33/h24-29,31-33H,4-23H2,1-3H3/t24-,25-,26-,27+,28-,29-/m1/s1
SMILES: [H][C@]1([C@@H]([C@H](O[C@@]1([3H])N2C=NC3=C2N=C(N=C3OCC)N)CO)O)[3H]
InChI: InChI=1S/C12H17N5O4/c1-2-20-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(19)7(4-18)21-8/h5-8,18-19H,2-4H2,1H3,(H2,13,15,16)/t6-,7+,8+/m0/s1/i3T,8T/t3-,6+,7-,8-/m1
SMILES: C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C#N
InChI: InChI=1S/C23H32N2O3S/c24-15-19-16-11-7-5-3-1-2-4-6-8-14-20(16)29-22(19)25-21(26)17-12-9-10-13-18(17)23(27)28/h17-18H,1-14H2,(H,25,26)(H,27,28)/p-1/t17-,18+/m1/s1
SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CCCCC4=NNN=N4
InChI: InChI=1S/C33H53N9O6/c1-6-10-23(29(44)32(47)34-21-15-16-21)35-31(46)28-22-12-9-11-20(22)17-42(28)33(48)27(19(4)5)37-30(45)26(18(2)3)36-25(43)14-8-7-13-24-38-40-41-39-24/h18-23,26-28H,6-17H2,1-5H3,(H,34,47)(H,35,46)(H,36,43)(H,37,45)(H,38,39,40,41)/t20-,22-,23?,26+,27-,28-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@]2(C[C@H]2C3CCCCC3)C(=O)NC4=NC=CS4
InChI: InChI=1S/C20H24N2O2S/c1-24-16-9-5-8-15(12-16)20(18(23)22-19-21-10-11-25-19)13-17(20)14-6-3-2-4-7-14/h5,8-12,14,17H,2-4,6-7,13H2,1H3,(H,21,22,23)/t17-,20-/m0/s1
SMILES: C1CCC(=CC1)C2=C[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C16H18O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h4,6-7,9,11-13,15H,1-3,5,8H2/t11-,12+,13+,15-/m1/s1
SMILES: C1=CC=C(C=C1)SC2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C15H16N2O6S/c18-7-9-11(19)12(20)14(23-9)17-6-10(13(21)16-15(17)22)24-8-4-2-1-3-5-8/h1-6,9,11-12,14,18-20H,7H2,(H,16,21,22)/t9-,11-,12-,14-/m1/s1
SMILES: C/C(=C/C(=O)C)/N1[C@H]([C@@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H23FN2O2/c1-14(12-15(2)27)26-23(16-4-7-18(24)8-5-16)21-10-6-17-13-19(28-3)9-11-20(17)22(21)25-26/h4-5,7-9,11-13,21,23H,6,10H2,1-3H3/b14-12-/t21-,23+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N4C3=NN=C4C5=CC6=C(C=C5)OCO6)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H21IN6O9/c1-10(32)35-7-16-18(38-11(2)33)19(39-12(3)34)23(40-16)30-8-26-17-21(30)27-24(25)31-20(28-29-22(17)31)13-4-5-14-15(6-13)37-9-36-14/h4-6,8,16,18-19,23H,7,9H2,1-3H3/t16-,18-,19-,23-/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)[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)O)O
InChI: InChI=1S/C34H29ClFN3O8/c1-46-20-13-25(40)28(26(14-20)47-2)29-21-11-12-22-27(32(43)39(45)30(22)41)23(21)15-24-31(42)38(37-19-9-7-18(36)8-10-19)33(44)34(24,29)16-3-5-17(35)6-4-16/h3-11,13-14,22-24,27,29,37,40,45H,12,15H2,1-2H3/t22-,23+,24-,27-,29+,34+/m0/s1
SMILES: CC1(N([C@H]([C@@H](O1)CC=C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C33H41NO4Si/c1-7-17-30-29(34(33(5,6)38-30)31(35)36-24-26-18-11-8-12-19-26)25-37-39(32(2,3)4,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h7-16,18-23,29-30H,1,17,24-25H2,2-6H3/t29-,30-/m0/s1
SMILES: C[C@@]12C[C@@H]([C@@H](C(=O)N1)S(=O)(=O)C3=CC=C(C=C3)F)C4=C(O2)C=CC(=C4)OC
InChI: InChI=1S/C19H18FNO5S/c1-19-10-15(14-9-12(25-2)5-8-16(14)26-19)17(18(22)21-19)27(23,24)13-6-3-11(20)4-7-13/h3-9,15,17H,10H2,1-2H3,(H,21,22)/t15-,17+,19-/m1/s1
SMILES: CC1=CC(=O)OC1C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)O)C
InChI: InChI=1S/C20H28O4/c1-12-6-7-16-19(3,8-5-9-20(16,4)18(22)23)14(12)11-15-13(2)10-17(21)24-15/h10,14-16H,1,5-9,11H2,2-4H3,(H,22,23)/t14-,15?,16+,19+,20-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[N+](=O)[O-]
InChI: InChI=1S/C26H20N2O4/c1-14-11-12-15(2)20(13-14)27-24(29)22-21-16-7-3-5-9-18(16)26(28(31)32,23(22)25(27)30)19-10-6-4-8-17(19)21/h3-13,21-23H,1-2H3/t21?,22-,23-,26?/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C15H19BrN2O3S/c1-11-10-14(11)15(19)17-6-8-18(9-7-17)22(20,21)13-4-2-12(16)3-5-13/h2-5,11,14H,6-10H2,1H3/t11-,14+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@@H](O3)COP(=O)([O-])[O-])O)O)N
InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6+,7+,10+/m0/s1
SMILES: CCCCNC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C14H22N6O4/c1-2-3-4-16-14-18-11(15)8-12(19-14)20(6-17-8)13-10(23)9(22)7(5-21)24-13/h6-7,9-10,13,21-23H,2-5H2,1H3,(H3,15,16,18,19)/t7-,9-,10-,13-/m1/s1
SMILES: CCC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CS3)C(=O)N(C2=O)CC)C(=O)OCC
InChI: InChI=1S/C18H24N2O4S/c1-4-9-18(17(23)24-6-3)13-12(15(21)20(5-2)16(13)22)14(19-18)11-8-7-10-25-11/h7-8,10,12-14,19H,4-6,9H2,1-3H3/t12-,13+,14-,18-/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)N[C@@H]([C@@H]([C@@H]3N(C)C)O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H24N4O/c1-12-13(2)24-11-10-15-17(20(24)21-12)22-16(14-8-6-5-7-9-14)19(25)18(15)23(3)4/h5-11,16,18-19,22,25H,1-4H3/t16-,18-,19+/m1/s1
SMILES: C1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=NC=C3
InChI: InChI=1S/C18H15N5/c19-9-15-13-3-1-2-4-14(13)16(12-5-7-23-8-6-12)18(10-20,11-21)17(15)22/h3,5-8,14,16H,1-2,4,22H2/t14-,16-/m0/s1
SMILES: CCCC[C@H]1CC(=O)[C@@]2([C@@H]1[C@@H]3CCC4=C(C(=O)CC[C@@]4([C@H]3CC2)C)O)C
InChI: InChI=1S/C23H34O3/c1-4-5-6-14-13-19(25)23(3)11-9-16-15(20(14)23)7-8-17-21(26)18(24)10-12-22(16,17)2/h14-16,20,26H,4-13H2,1-3H3/t14-,15+,16-,20-,22+,23+/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CCC4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C(=O)C6=CC=NO6)C)CN1C
InChI: InChI=1S/C27H39N3O2/c1-17-21-7-8-23-20-6-5-18-15-19(30(4)25(31)24-11-14-28-32-24)9-12-26(18,2)22(20)10-13-27(21,23)16-29(17)3/h5,11,14,17,19-23H,6-10,12-13,15-16H2,1-4H3/t17-,19-,20+,21+,22?,23-,26-,27-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)C(=O)F
InChI: InChI=1S/C11H12FN5O3/c12-9(19)5-1-7(20-6(5)2-18)17-4-16-8-10(13)14-3-15-11(8)17/h3-7,18H,1-2H2,(H2,13,14,15)/t5-,6+,7+/m0/s1
SMILES: CC1(C2=CC=CC=C2C(N1O[C@H]3C[C@H]4CCCC[C@@H]4C[C@@H]3OC(=O)C5=CC=CC=C5)(C)C)C
InChI: InChI=1S/C29H37NO3/c1-28(2)23-16-10-11-17-24(23)29(3,4)30(28)33-26-19-22-15-9-8-14-21(22)18-25(26)32-27(31)20-12-6-5-7-13-20/h5-7,10-13,16-17,21-22,25-26H,8-9,14-15,18-19H2,1-4H3/t21-,22-,25+,26+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(CN3CCN(CC3)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(CCC#N)N(C(C)C)C(C)C
InChI: InChI=1S/C46H61N6O7P/c1-33(2)52(34(3)4)60(28-12-23-47)59-41-29-42(51-30-35(5)43(53)48-44(51)54)58-45(41,31-50-26-24-49(6)25-27-50)32-57-46(36-13-10-9-11-14-36,37-15-19-39(55-7)20-16-37)38-17-21-40(56-8)22-18-38/h9-11,13-22,30,33-34,41-42H,12,24-29,31-32H2,1-8H3,(H,48,53,54)/t41-,42+,45+,60?/m0/s1
SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C
InChI: InChI=1S/C31H50O12/c1-14(2)8-7-10-31(6)11-9-18-17(5)27(15(3)16(4)28(18)43-31)42-30-26(38)24(36)22(34)20(41-30)13-39-29-25(37)23(35)21(33)19(12-32)40-29/h14,19-26,29-30,32-38H,7-13H2,1-6H3/t19-,20-,21-,22-,23+,24+,25-,26-,29-,30+,31?/m1/s1
SMILES: CCOC(=O)O/C=C(/C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)\NC(=O)C2=CC=CC=C2
InChI: InChI=1S/C23H31NO6/c1-5-28-23(27)29-14-19(24-21(25)17-9-7-6-8-10-17)22(26)30-20-13-16(4)11-12-18(20)15(2)3/h6-10,14-16,18,20H,5,11-13H2,1-4H3,(H,24,25)/b19-14-/t16-,18+,20-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@@H]4[C@H]([C@H]3C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)CC
InChI: InChI=1S/C25H26Br2N2O6/c1-4-28-22(31)11-7-6-10-12(17(11)24(28)33)8-14-18(25(34)29(5-2)23(14)32)16(10)13-9-15(35-3)21(30)20(27)19(13)26/h6,9,11-12,14,16-18,30H,4-5,7-8H2,1-3H3/t11-,12+,14+,16+,17-,18+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@@H](O[C@@](CN3C2(C)C)(C)C[Se]C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H37NO2Se/c1-20-15-16-23-24(17-20)30-26-25(21-11-7-5-8-12-21)31-28(4,18-29(26)27(23,2)3)19-32-22-13-9-6-10-14-22/h5-14,20,23-26H,15-19H2,1-4H3/t20-,23-,24-,25+,26+,28-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C(C)C(=O)C5=C(C(=C(C=C5I)I)O)I)C)C
InChI: InChI=1S/C37H51I3O4/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(14-16-36(23,5)28(25)15-17-37(26,27)6)44-35(43)22(4)33(41)31-29(38)19-30(39)34(42)32(31)40/h10,19-22,24-28,42H,7-9,11-18H2,1-6H3/t21-,22?,24+,25?,26-,27?,28?,36+,37-/m1/s1
SMILES: COC(=O)C1=CC2=C(S1)C(=O)[C@H]([C@H]3[C@@H]2CC(CN3)(OC)OC)[Se](=O)C4=CC=CC=C4
InChI: InChI=1S/C21H23NO6SSe/c1-26-20(24)15-9-13-14-10-21(27-2,28-3)11-22-16(14)19(17(23)18(13)29-15)30(25)12-7-5-4-6-8-12/h4-9,14,16,19,22H,10-11H2,1-3H3/t14-,16-,19+,30?/m1/s1
SMILES: C1=CC=C2C(=C1)C3([C@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=CC=N6)Br
InChI: InChI=1S/C23H14Br2N2O2/c24-22-13-7-1-2-8-14(13)23(25,16-10-4-3-9-15(16)22)19-18(22)20(28)27(21(19)29)17-11-5-6-12-26-17/h1-12,18-19H/t18-,19-,22?,23?/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H]4CCCSC4)O
InChI: InChI=1S/C30H47N3O3S/c1-30(2,3)32-29(36)26-17-22-12-7-8-13-23(22)18-33(26)19-27(34)25(16-21-10-5-4-6-11-21)31-28(35)24-14-9-15-37-20-24/h4-6,10-11,22-27,34H,7-9,12-20H2,1-3H3,(H,31,35)(H,32,36)/t22-,23+,24-,25-,26-,27+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CN2)C(=O)C
InChI: InChI=1S/C18H26N2O4/c1-10-6-5-7-15(11(10)2)20-17(22)13(4)24-18(23)16-8-14(9-19-16)12(3)21/h8-11,13,15,19H,5-7H2,1-4H3,(H,20,22)/t10-,11-,13-,15-/m1/s1
SMILES: CC1=CC(=CC=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC(C(C(C5)O)O)O
InChI: InChI=1S/C25H30N6O7/c1-12-3-2-4-13(5-12)8-26-22-19-23(28-10-27-22)31(11-29-19)25-18(21(36)17(9-32)38-25)30-24(37)14-6-15(33)20(35)16(34)7-14/h2-6,10-11,15-18,20-21,25,32-36H,7-9H2,1H3,(H,30,37)(H,26,27,28)/t15?,16?,17-,18-,20?,21-,25-/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O
InChI: InChI=1S/C48H54O13/c1-4-5-6-7-8-21-30-54-48-42(41(60-46(53)36-28-19-12-20-29-36)39(32(3)56-48)58-44(51)34-24-15-10-16-25-34)61-47-37(49)40(59-45(52)35-26-17-11-18-27-35)38(31(2)55-47)57-43(50)33-22-13-9-14-23-33/h9-20,22-29,31-32,37-42,47-49H,4-8,21,30H2,1-3H3/t31-,32-,37+,38-,39-,40-,41+,42+,47-,48+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)[C@@H](CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C29H35N5O6Si/c1-19-17-34(28(37)31-27(19)36)25-16-24(39-20(2)35)26(40-25)23(32-33-30)18-38-41(29(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,17,23-26H,16,18H2,1-5H3,(H,31,36,37)/t23-,24+,25+,26-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C)CCC6=CC=CC=C6)O)C(=C5)C(=O)C7=CC=CC=C7C8=CC=CC=C8)O)C
InChI: InChI=1S/C44H51NO3/c1-40-22-18-33(46)28-42(40)25-26-44(36(29-42)39(47)35-17-11-10-16-34(35)32-14-8-5-9-15-32)37(40)19-23-41(2)38(44)20-24-43(41,48)30-45(3)27-21-31-12-6-4-7-13-31/h4-17,25-26,29,33,37-38,46,48H,18-24,27-28,30H2,1-3H3/t33?,37-,38-,40-,41+,42+,43-,44-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)[C@@H]1SC3=CC=CC=C3)C(=O)C(C)(C)C
InChI: InChI=1S/C19H23NO5S2/c1-11-13(15(21)19(2,3)4)20-16(22)14(25-5)17(20)27(23,24)18(11)26-12-9-7-6-8-10-12/h6-10,14,17-18H,1-5H3/t14-,17+,18-/m0/s1
SMILES: C[C@H]1CC=C(C[C@H]1OC(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC)C(C)C
InChI: InChI=1S/C20H25F3O3/c1-13(2)15-11-10-14(3)17(12-15)26-18(24)19(25-4,20(21,22)23)16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3/t14-,17+,19-/m0/s1
SMILES: CCSC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC(C)(CBr)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C27H37BrO6S/c1-5-35-18-22-23(31-16-20-12-8-6-9-13-20)24(32-17-21-14-10-7-11-15-21)25(26(29-3)33-22)34-27(2,19-28)30-4/h6-15,22-26H,5,16-19H2,1-4H3/t22-,23-,24+,25+,26+,27?/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+]CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C23H29NO4/c1-14-4-3-7-23(2)10-21-16(9-18(14)23)17(22(25)28-21)12-24-11-15-5-6-19-20(8-15)27-13-26-19/h5-6,8,16-18,21,24H,1,3-4,7,9-13H2,2H3/p+1/t16-,17-,18+,21-,23-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F
InChI: InChI=1S/C18H22FN5O/c19-16-7-5-14(6-8-16)18-20-22-24(21-18)12-17(25)23-10-9-13-3-1-2-4-15(13)11-23/h5-8,13,15H,1-4,9-12H2/t13-,15+/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI: InChI=1S/C14H15Cl2NO3/c1-7-5-10(7)14(19)20-8(2)13(18)17-12-6-9(15)3-4-11(12)16/h3-4,6-8,10H,5H2,1-2H3,(H,17,18)/t7-,8-,10-/m0/s1
SMILES: CCCC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C
InChI: InChI=1S/C23H36O3/c1-4-5-21(25)26-16-10-12-22(2)15(14-16)6-7-17-18-8-9-20(24)23(18,3)13-11-19(17)22/h15-19H,4-14H2,1-3H3/t15-,16+,17-,18-,19-,22-,23-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]2CC(=O)O[C@H]2[C@@H]([C@@H]1OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H16O8/c1-5(14)18-10-8-4-9(17)21-11(8)13(20-7(3)16)12(10)19-6(2)15/h8,10-13H,4H2,1-3H3/t8-,10-,11-,12-,13+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3
InChI: InChI=1S/C21H25N3O5/c25-18(23-11-5-7-14-6-1-4-10-17(14)23)13-29-19(26)12-24-21(28)16-9-3-2-8-15(16)20(27)22-24/h2-3,8-9,14,17H,1,4-7,10-13H2,(H,22,27)/t14-,17-/m1/s1
SMILES: CC1([C@@H]2CC[C@@H](C2)[C@H]1C[C@H]3OC[C@@H](O3)C[N+]4(CCCCC4)CC5=CC=CC=C5)C
InChI: InChI=1S/C26H40NO2/c1-26(2)22-12-11-21(15-22)24(26)16-25-28-19-23(29-25)18-27(13-7-4-8-14-27)17-20-9-5-3-6-10-20/h3,5-6,9-10,21-25H,4,7-8,11-19H2,1-2H3/q+1/t21-,22+,23-,24+,25-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O)OP(=O)(O)O
InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m1/s1
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C17H19BrN2O3/c1-10-8-11(18)6-7-14(10)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h6-8,12-13H,2-5,9H2,1H3,(H,19,21)/t12-,13-/m1/s1
SMILES: CC1(O[C@H]2CCC=C([C@@H]2OO1)C3=CC=C(C=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C21H22O3/c1-21(2)22-19-10-6-9-18(20(19)23-24-21)17-13-11-16(12-14-17)15-7-4-3-5-8-15/h3-5,7-9,11-14,19-20H,6,10H2,1-2H3/t19-,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N[C@@H](C)C(=O)NC2=CC=CC=C2OC
InChI: InChI=1S/C18H28N2O2/c1-12-8-7-10-15(13(12)2)19-14(3)18(21)20-16-9-5-6-11-17(16)22-4/h5-6,9,11-15,19H,7-8,10H2,1-4H3,(H,20,21)/t12-,13+,14-,15+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](N1C(=O)OCC)[C@@H]2COC(O2)(C)C
InChI: InChI=1S/C13H21NO6/c1-5-17-11(15)10-9(14(10)12(16)18-6-2)8-7-19-13(3,4)20-8/h8-10H,5-7H2,1-4H3/t8-,9-,10-,14?/m0/s1
SMILES: C1[C@H]([C@@H]2[C@@H](O1)[C@@H](CO2)O[N+](=O)[O-])O
InChI: InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4-,5-,6+/m1/s1
SMILES: CCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C16H20N2O5S2/c1-4-15(19)17-16-18(12-8-25(20,21)9-14(12)24-16)11-6-5-10(22-2)7-13(11)23-3/h5-7,12,14H,4,8-9H2,1-3H3/t12-,14+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C
InChI: InChI=1S/C20H30ClN3O/c1-15-5-3-4-6-18(15)22-20(25)14-23-9-11-24(12-10-23)19-13-17(21)8-7-16(19)2/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,22,25)/p+1/t15-,18-/m1/s1
SMILES: C[C@]12CCC3C(C1CCC2=O)[C@@H]([C@H](C4=CC(=O)CC[C@]34C)O)N=[N+]=[N-]
InChI: InChI=1S/C19H25N3O3/c1-18-7-5-10(23)9-13(18)17(25)16(21-22-20)15-11-3-4-14(24)19(11,2)8-6-12(15)18/h9,11-12,15-17,25H,3-8H2,1-2H3/t11?,12?,15?,16-,17-,18+,19-/m0/s1