EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]([C@H](C(=O)N1)C(=O)N/N=C\C2=CC(=O)NC(=O)N2)C3=CC=CC=C3
InChI: InChI=1S/C16H15N5O4/c22-12-6-10(19-16(25)20-12)7-18-21-15(24)13-11(8-17-14(13)23)9-4-2-1-3-5-9/h1-7,11,13H,8H2,(H,17,23)(H,21,24)(H2,19,20,22,25)/b18-7-/t11-,13+/m0/s1
SMILES: CCOC(=O)COC1=C(C(=C(C(=C1C/C=C(\C)/C=C/[C@]2([C@H](CCC(=O)[C@H]2C)C)C)O)C=O)C)Cl
InChI: InChI=1S/C27H35ClO6/c1-7-33-23(31)15-34-26-20(25(32)21(14-29)18(4)24(26)28)10-8-16(2)12-13-27(6)17(3)9-11-22(30)19(27)5/h8,12-14,17,19,32H,7,9-11,15H2,1-6H3/b13-12+,16-8+/t17-,19+,27-/m0/s1
SMILES: COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2C[C@H]([C@@H]([C@H]2[C@H](CO)O)O)O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C35H49NO11/c1-43-29(40)18-12-4-2-3-5-13-19-44-35-33(47-34(42)25-16-10-7-11-17-25)32(45-23-24-14-8-6-9-15-24)28(46-35)21-36-20-26(38)31(41)30(36)27(39)22-37/h6-11,14-17,26-28,30-33,35,37-39,41H,2-5,12-13,18-23H2,1H3/t26-,27+,28-,30-,31+,32-,33+,35+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4[C@@]3(CCC(=O)C4)C)OC(=O)C)C
InChI: InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(32-20(4)30)26-16-21(31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,22-27H,7-17H2,1-6H3/t19-,22+,23-,24+,25+,26?,27-,28-,29-/m1/s1
SMILES: CC1=CC(=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)Cl)C)Cl
InChI: InChI=1S/C24H21Cl2N3O3/c1-11-9-13(25)10-14-20(11)27-23(32)24(14)19-18(17-7-4-8-28(17)24)21(30)29(22(19)31)16-6-3-5-15(26)12(16)2/h3,5-6,9-10,17-19H,4,7-8H2,1-2H3,(H,27,32)/t17-,18+,19-,24-/m0/s1
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=CC5(C)C)C)C)(C)CO
InChI: InChI=1S/C30H48O/c1-25(2)12-8-13-28(5)23(25)11-14-30(7)24(28)10-9-21-22-19-26(3,20-31)15-16-27(22,4)17-18-29(21,30)6/h8-9,12,22-24,31H,10-11,13-20H2,1-7H3/t22-,23-,24+,26-,27+,28-,29+,30+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](S1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)OCCCCCCCCC(=O)OC)NC(=O)C)O)O)O
InChI: InChI=1S/C30H53NO16S/c1-14-20(36)22(38)25(41)30(48-14)47-27-19(31-15(2)34)28(43-11-9-7-5-4-6-8-10-18(35)42-3)45-17(13-33)26(27)46-29-24(40)23(39)21(37)16(12-32)44-29/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16+,17+,19+,20+,21-,22+,23-,24+,25-,26+,27+,28+,29-,30+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=CC=CC4=C3C=CC=N4)C(=O)O
InChI: InChI=1S/C18H16N2O3/c21-17(15-10-6-7-11(9-10)16(15)18(22)23)20-14-5-1-4-13-12(14)3-2-8-19-13/h1-8,10-11,15-16H,9H2,(H,20,21)(H,22,23)/t10-,11+,15+,16+/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N
InChI: InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14+,15-,16+,20+,21-/m0/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CCC5(C4CC([C@H]([C@@H]5O)O)(C)C)CO)C)C)(C)C)O
InChI: InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,17-31)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19?,20?,21?,22-,23-,24-,27-,28+,29+,30?/m0/s1
SMILES: C[C@H]1[C@@H]2CN(C[C@@]23[C@@H](C[C@@]1(O3)[N+](=O)[O-])Br)C4=C(C=C(C=C4)C)Br
InChI: InChI=1S/C16H18Br2N2O3/c1-9-3-4-13(12(17)5-9)19-7-11-10(2)16(20(21)22)6-14(18)15(11,8-19)23-16/h3-5,10-11,14H,6-8H2,1-2H3/t10-,11-,14+,15-,16-/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H](C[C@H]2[C@]1(C(=O)C[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)N5CC5
InChI: InChI=1S/C25H37NO4/c1-14(27)23-21(26-9-10-26)12-20-18-6-5-16-11-17(30-15(2)28)7-8-24(16,3)19(18)13-22(29)25(20,23)4/h16-21,23H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,21+,23+,24-,25-/m0/s1
SMILES: CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI: InChI=1S/C22H19ClO3.C18H33ClN2O5S/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h1-4,9-13,15,24H,5-8H2;9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t;9-,10+,11-,12+,13-,14+,15+,16+,18+/m.0/s1
SMILES: C[N+]1(CC[C@H](O1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O)C
InChI: InChI=1S/C20H24N6O6S2/c1-26(2)7-6-11(32-26)5-4-10-8-33-18-14(17(28)25(18)15(10)19(29)30)23-16(27)13(24-31-3)12-9-34-20(21)22-12/h4-5,9,11,14,18H,6-8H2,1-3H3,(H3-,21,22,23,27,29,30)/p+1/b5-4+,24-13-/t11-,14-,18-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI: InChI=1S/C19H17NO2/c21-19(22)13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22)/t14-,15+,18-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=CC(=C5)OC(F)(F)F)O)C(=O)C=C(C4=O)C
InChI: InChI=1S/C27H24F3NO6/c1-3-8-31-25(35)15-6-5-14-16(22(15)26(31)36)11-18-23(20(33)9-12(2)24(18)34)21(14)17-10-13(4-7-19(17)32)37-27(28,29)30/h4-5,7,9-10,15-16,21-22,32H,3,6,8,11H2,1-2H3/t15-,16+,21+,22-/m0/s1
SMILES: CCC(=O)C(=O)N(CC1=CC=CC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C26H28N2O6/c1-2-20(30)26(33)28(15-16-8-4-3-5-9-16)19-14-18(25(32)27-12-13-29)22-17-10-6-7-11-21(17)34-24(22)23(19)31/h3-11,14,19,22-24,29,31H,2,12-13,15H2,1H3,(H,27,32)/t19-,22+,23+,24+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C26H15ClN2O7/c27-14-10-8-13(9-11-14)21-19-20(26(36-21)22(30)17-6-1-2-7-18(17)23(26)31)25(33)28(24(19)32)15-4-3-5-16(12-15)29(34)35/h1-12,19-21H/t19-,20+,21+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O[C@H]2[C@H]([C@@H]([C@H](OC2OC[C@@H](C(=O)O)N)CO)O)O)O)O)O)O
InChI: InChI=1S/C15H27NO13/c16-4(13(24)25)3-26-15-12(10(22)8(20)6(2-18)28-15)29-14-11(23)9(21)7(19)5(1-17)27-14/h4-12,14-15,17-23H,1-3,16H2,(H,24,25)/t4-,5+,6+,7+,8+,9-,10-,11-,12-,14?,15?/m0/s1
SMILES: C1CC1C2=NC(=NN2C3=CC=CC=C3)S[C@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C15H17N3O3S2/c19-12-8-23(20,21)9-13(12)22-15-16-14(10-6-7-10)18(17-15)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2/t12-,13-/m0/s1
SMILES: CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N
InChI: InChI=1S/C35H41N5O5.C11H12N2O3/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t23-,25-,27-,28+,29+,34-,35+;9-/m10/s1
SMILES: C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O)OO
InChI: InChI=1S/C10H16N2O8/c1-10(20-18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8-,10-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H20ClN3O4S/c1-12-9-16(12)17-8-5-14(26-17)10-20-21-18(23)11-22(2)27(24,25)15-6-3-13(19)4-7-15/h3-8,10,12,16H,9,11H2,1-2H3,(H,21,23)/b20-10-/t12-,16+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=CNC(=O)N(C3=O)C)OC(OCCOC(=O)C)OCCOC(=O)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C31H54N2O13Si2/c1-18(2)47(19(3)4)42-17-25-27(45-48(46-47,20(5)6)21(7)8)28(26(43-25)24-16-32-30(37)33(11)29(24)36)44-31(40-14-12-38-22(9)34)41-15-13-39-23(10)35/h16,18-21,25-28,31H,12-15,17H2,1-11H3,(H,32,37)/t25-,26+,27-,28+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C[C@H](COCC8=CC=CC=C8)O)O)C(=C5)C(=O)C9CCCCC9)O)C
InChI: InChI=1S/C50H63NO5/c1-46-23-20-39(52)28-48(46)26-27-50(42(29-48)45(54)37-15-7-4-8-16-37)43(46)21-24-47(2)44(50)22-25-49(47,55)34-51(30-38-18-11-17-36-14-9-10-19-41(36)38)31-40(53)33-56-32-35-12-5-3-6-13-35/h3,5-6,9-14,17-19,26-27,29,37,39-40,43-44,52-53,55H,4,7-8,15-16,20-25,28,30-34H2,1-2H3/t39?,40-,43-,44-,46-,47+,48+,49-,50-/m1/s1
SMILES: CC(=O)C1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C20H26O3/c1-11(21)15-10-16-12(9-18(15)22)3-4-14-13(16)7-8-20(2)17(14)5-6-19(20)23/h9-10,13-14,17,19,22-23H,3-8H2,1-2H3/t13-,14+,17-,19-,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C#N
InChI: InChI=1S/C18H21BrN2O3/c1-11-5-3-4-6-15(11)21-18(23)13(10-20)7-12-8-14(19)17(22)16(9-12)24-2/h7-9,11,15,22H,3-6H2,1-2H3,(H,21,23)/b13-7+/t11-,15+/m1/s1
SMILES: COC(=O)C1=CC(=O)[C@]2(C(=O)[C@@H]1[C@H]3C(=CC(=O)[C@@]2(C3=O)O)C(=O)OC)O
InChI: InChI=1S/C16H12O10/c1-25-13(21)5-3-7(17)15(23)11(19)9(5)10-6(14(22)26-2)4-8(18)16(15,24)12(10)20/h3-4,9-10,23-24H,1-2H3/t9-,10+,15+,16-
SMILES: CC1=CN(C(=O)N(C1=O)COCC2=CC=CC=C2)[C@H]3[C@H]4[C@H]([C@@](O3)(CN4)COC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C33H33N3O7/c1-23-17-35(32(39)36(29(23)37)22-40-18-24-11-5-2-6-12-24)30-27-28(41-19-25-13-7-3-8-14-25)33(43-30,20-34-27)21-42-31(38)26-15-9-4-10-16-26/h2-17,27-28,30,34H,18-22H2,1H3/t27-,28-,30-,33-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@@]2(C(C[C@@H](O2)/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C
InChI: InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14-,15+,16?,17+,20-/m1/s1
SMILES: C[C@@H]([C@H](C1=CC=C(C=C1)O)O)[NH2+][C@@H]2C[C@@H]3[C@@H]2C=CC3
InChI: InChI=1S/C16H21NO2/c1-10(16(19)11-5-7-13(18)8-6-11)17-15-9-12-3-2-4-14(12)15/h2,4-8,10,12,14-19H,3,9H2,1H3/p+1/t10-,12+,14-,15+,16+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)NC3=NC=CS3
InChI: InChI=1S/C12H14N2O3S/c15-10(14-12-13-3-4-18-12)8-6-1-2-7(5-6)9(8)11(16)17/h3-4,6-9H,1-2,5H2,(H,16,17)(H,13,14,15)/t6-,7+,8-,9+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)NC(=O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C19H25NO2/c1-18(2)14-11-12-19(18,3)17(22)16(14)20-15(21)10-9-13-7-5-4-6-8-13/h4-10,14,16-17,22H,11-12H2,1-3H3,(H,20,21)/b10-9+/t14-,16-,17-,19+/m1/s1
SMILES: C1=NC(=C2C(=N1)N([14CH]=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1/i3+2
SMILES: CC1=CC=C(C=C1)CN2C3=CC=CC=C3[C@]4(C2=O)[C@H]5[C@@H]([C@@H](O4)C6=CC=C(C=C6)OC)C(=O)OC5=O
InChI: InChI=1S/C28H23NO6/c1-16-7-9-17(10-8-16)15-29-21-6-4-3-5-20(21)28(27(29)32)23-22(25(30)34-26(23)31)24(35-28)18-11-13-19(33-2)14-12-18/h3-14,22-24H,15H2,1-2H3/t22-,23-,24-,28+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H22O8/c1-26-21-18(29-20(25)14-10-6-3-7-11-14)17(16(23)15(12-22)27-21)28-19(24)13-8-4-2-5-9-13/h2-11,15-18,21-23H,12H2,1H3/t15-,16-,17+,18-,21+/m1/s1
SMILES: CN1[C@@H]2CCC1CC[C@H]2OC[C@@](C3CCCC3)(C4=CC=CC=C4)O
InChI: InChI=1S/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3/t18?,19-,20-,21+/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)C2=CC=CC=[C-]2)C3=CC=CC=[C-]3)C.[Mg+2].[Mg+2].[Br-].[Br-]
InChI: InChI=1S/C17H16O2.2BrH.2Mg/c1-17(2)18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14;;;;/h3-9,11,15-16H,1-2H3;2*1H;;/q-2;;;2*+2/p-2/t15-,16-;;;;/m0..../s1
SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CC#C)C=C1
InChI: InChI=1S/C20H25NO/c1-3-11-21-12-10-20-9-5-4-6-17(20)19(21)13-15-7-8-16(22-2)14-18(15)20/h1,7-8,14,17,19H,4-6,9-13H2,2H3/t17-,19+,20+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](C(=O)C4=CC5=C(C=C24)OCO5)OCC3=O
InChI: InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(24)22-19(18)13(23)8-28-22/h4-7,18-19,22H,8-9H2,1-3H3/t18-,19-,22-/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)C=C(C(C2=O)(CC=C)CC=C)C(=O)OC)(C)OC)OC
InChI: InChI=1S/C20H28O7/c1-8-10-20(11-9-2)13(17(22)23-5)12-14-15(16(20)21)27-19(4,25-7)18(3,24-6)26-14/h8-9,12,14-15H,1-2,10-11H2,3-7H3/t14-,15+,18+,19+/m1/s1
SMILES: CC[C@H]1[C@H](C[C@@H]([NH2+][C@@H]1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C21H27NO3/c1-4-18-20(23)13-19(14-5-9-16(24-2)10-6-14)22-21(18)15-7-11-17(25-3)12-8-15/h5-12,18-23H,4,13H2,1-3H3/p+1/t18-,19+,20-,21+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H]([C@]4([C@H]3[C@@H]([C@@H](C2(C)C)CC1OC(=O)C)O)CO4)O)C)O)OC(=O)C
InChI: InChI=1S/C24H36O8/c1-11-15(31-12(2)25)9-14-18(28)20-23(6,8-7-16(27)24(20)10-30-24)21(29)19(32-13(3)26)17(11)22(14,4)5/h14-16,18-21,27-29H,7-10H2,1-6H3/t14-,15?,16-,18+,19+,20-,21-,23+,24-/m0/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=COC7=C(C6)C=C(C=C7)O)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl)CC1=CC=CC=C1
InChI: InChI=1S/C47H40Cl2F3N5O6/c48-30-8-6-28(7-9-30)46-36(43(60)57(45(46)62)54-41-37(49)20-29(22-53-41)47(50,51)52)21-35-33(40(46)27-18-26-19-32(58)10-13-38(26)63-24-27)11-12-34-39(35)44(61)56(42(34)59)31-14-16-55(17-15-31)23-25-4-2-1-3-5-25/h1-11,13,19-20,22,24,31,34-36,39-40,58H,12,14-18,21,23H2,(H,53,54)/t34-,35+,36-,39-,40-,46+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)CC6=CC=CC=C6)Br)O
InChI: InChI=1S/C29H24Br2Cl2N2O6/c1-41-20-10-15(9-19(31)23(20)36)22-16-7-8-17-21(25(38)34(24(17)37)12-14-5-3-2-4-6-14)18(16)11-28(32)26(39)35(13-30)27(40)29(22,28)33/h2-7,9-10,17-18,21-22,36H,8,11-13H2,1H3/t17-,18+,21-,22-,28+,29-/m0/s1
SMILES: CC1=CC2=C(C=C1)N3[C@@H](C=C2C)[C@]4([C@@H]([C@@H]3C(=O)C5=CC(=CC=C5)OC)C(=O)C6=CC=C(C=C6)OC)C7=CC=CC=C7NC4=O
InChI: InChI=1S/C37H32N2O5/c1-21-12-17-30-27(18-21)22(2)19-31-37(28-10-5-6-11-29(28)38-36(37)42)32(34(40)23-13-15-25(43-3)16-14-23)33(39(30)31)35(41)24-8-7-9-26(20-24)44-4/h5-20,31-33H,1-4H3,(H,38,42)/t31-,32-,33+,37-/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)C3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C25H26N2O3/c28-23(26-13-12-18-7-1-2-8-20(18)16-26)19-9-5-6-17(14-19)15-27-24(29)21-10-3-4-11-22(21)25(27)30/h3-6,9-11,14,18,20H,1-2,7-8,12-13,15-16H2/t18-,20-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CO
InChI: InChI=1S/C22H34O4/c1-13(24)26-20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,23,25H,5-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
SMILES: C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)N[C@@H]([C@@H]4[C@@H]3C=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H27ClN2O/c26-19-11-8-17(9-12-19)24-21-7-5-6-20(21)22-16-18(10-13-23(22)27-24)25(29)28-14-3-1-2-4-15-28/h5-6,8-13,16,20-21,24,27H,1-4,7,14-15H2/t20-,21-,24+/m0/s1
SMILES: CC1=C([C@@H]([C@H]2C(=N1)C[C@@H](CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C28H25NO4S/c1-17-25(28(32)33-16-18-7-3-2-4-8-18)26(19-9-5-10-21(30)13-19)27-22(29-17)14-20(15-23(27)31)24-11-6-12-34-24/h2-13,20,26-27,30H,14-16H2,1H3/t20-,26-,27-/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C19H23NO5S/c1-4-25-19(24)13-9(2)10(3)26-17(13)20-16(21)14-11-5-7-12(8-6-11)15(14)18(22)23/h5,7,11-12,14-15H,4,6,8H2,1-3H3,(H,20,21)(H,22,23)/t11-,12+,14-,15+/m1/s1
SMILES: C[C@H](/C=C/CO)[C@@H](/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O[Si](C(C)C)(C(C)C)C(C)C)/C)OCC2=CC=C(C=C2)OC
InChI: InChI=1S/C33H56O5Si/c1-23(2)39(24(3)4,25(5)6)38-31-18-15-29(21-32(31)36-10)20-27(8)33(26(7)12-11-19-34)37-22-28-13-16-30(35-9)17-14-28/h11-14,16-17,20,23-26,29,31-34H,15,18-19,21-22H2,1-10H3/b12-11+,27-20+/t26-,29+,31-,32-,33+/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)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=CC=CC=C6C(=O)O
InChI: InChI=1S/C42H42N2O8S2/c1-27-12-22-34(23-13-27)54(49,50)44-36(24-29-8-4-3-5-9-29)40(46)43-33-20-18-32(19-21-33)42-51-37(26-53-38-11-7-6-10-35(38)41(47)48)28(2)39(52-42)31-16-14-30(25-45)15-17-31/h3-23,28,36-37,39,42,44-45H,24-26H2,1-2H3,(H,43,46)(H,47,48)/t28-,36-,37+,39+,42+/m1/s1
SMILES: CO[C@H]1C(=C)[C@H]([C@H](O1)[C@@H]2CC[C@@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C25H30O5/c1-18-23(28-16-20-11-7-4-8-12-20)24(30-25(18)26-2)22-14-13-21(29-22)17-27-15-19-9-5-3-6-10-19/h3-12,21-25H,1,13-17H2,2H3/t21-,22+,23-,24-,25-/m1/s1
SMILES: C[C@@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@H]2C=C)CO)C)C
InChI: InChI=1S/C14H22O2/c1-5-12-13-9(2)6-10(3)14(7-15,8-16-12)11(13)4/h5-6,10-13,15H,1,7-8H2,2-4H3/t10-,11+,12+,13-,14+/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)C5=CN=CC=C5)CN6CCC7=CC(=C(C=C7C6)OC)OC
InChI: InChI=1S/C43H45N3O6/c1-28-40(26-46-18-16-34-21-38(49-2)39(50-3)22-37(34)25-46)51-43(52-41(28)31-14-12-29(27-47)13-15-31)35-10-5-9-33(20-35)32-8-4-7-30(19-32)23-45-42(48)36-11-6-17-44-24-36/h4-15,17,19-22,24,28,40-41,43,47H,16,18,23,25-27H2,1-3H3,(H,45,48)/t28-,40+,41+,43+/m1/s1
SMILES: CN(C)C1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)CNC(=O)C5=CC=NO5)N(C)C
InChI: InChI=1S/C28H31N5O9/c1-32(2)15-9-12(10-30-27(40)16-5-6-31-42-16)21(34)18-13(15)7-11-8-14-20(33(3)4)23(36)19(26(29)39)25(38)28(14,41)24(37)17(11)22(18)35/h5-6,9,11,14,17,19-20,34,41H,7-8,10H2,1-4H3,(H2,29,39)(H,30,40)/t11-,14-,17?,19?,20?,28-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2CC3=C(NC2=O)N(C(=O)C=C3)C)CO)O)O
InChI: InChI=1S/C14H19N3O6/c1-14(22)10(20)8(6-18)23-12(14)17-5-7-3-4-9(19)16(2)11(7)15-13(17)21/h3-4,8,10,12,18,20,22H,5-6H2,1-2H3,(H,15,21)/t8-,10-,12-,14-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4
InChI: InChI=1S/C20H24N6O2S/c1-12-7-3-5-9-15(12)23-17(27)13(2)29-20-24-16-10-6-4-8-14(16)18(28)26(20)19-21-11-22-25-19/h4,6,8,10-13,15H,3,5,7,9H2,1-2H3,(H,23,27)(H,21,22,25)/t12-,13+,15+/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(=C5Br)Br)O)OC)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C34H34Br2N2O8/c1-34-22(31(43)38(33(34)45)17-9-5-3-6-10-17)15-20-18(26(34)21-16-23(46-2)29(41)28(36)27(21)35)12-13-19-25(20)32(44)37(30(19)42)14-8-4-7-11-24(39)40/h3,5-6,9-10,12,16,19-20,22,25-26,41H,4,7-8,11,13-15H2,1-2H3,(H,39,40)/t19-,20+,22-,25-,26+,34+/m0/s1
SMILES: C1CC[C@@H]2C/C(=N\NC(=O)C3=CC=C(C=C3)O)/CC[C@H]2C1
InChI: InChI=1S/C17H22N2O2/c20-16-9-6-13(7-10-16)17(21)19-18-15-8-5-12-3-1-2-4-14(12)11-15/h6-7,9-10,12,14,20H,1-5,8,11H2,(H,19,21)/b18-15-/t12-,14-/m1/s1
SMILES: C1C[C@@H]2[C@@H](NC3=C([C@@H]2OC1)C=C(C=C3)Br)C4=C5C(=C6C=CC(=N6)C(=C7C=CC(=N7)C(=C8C=CC(=C(C(=C4)N5)C9=CC=CC=C9)N8)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C56H42BrN5O/c57-38-23-24-42-40(32-38)56-39(22-13-31-63-56)54(61-42)41-33-49-52(36-18-9-3-10-19-36)47-28-27-45(59-47)50(34-14-5-1-6-15-34)43-25-26-44(58-43)51(35-16-7-2-8-17-35)46-29-30-48(60-46)53(55(41)62-49)37-20-11-4-12-21-37/h1-12,14-21,23-30,32-33,39,54,56,59,61-62H,13,22,31H2/t39-,54-,56-/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@@H]([C@@H](C23)OC)[C@]5(C[C@@H]([C@@H]6CC4C5[C@H]6O)OC)O)O)COC
InChI: InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13?,14-,15-,16?,17+,18-,19-,20?,21?,22-,23+,24-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCCCC1=CN=C(O1)[C@@H]2[C@@H](N2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)COCC=C
InChI: InChI=1S/C37H46N2O3Si/c1-7-25-40-28-33-34(35-38-27-32(42-35)24-17-26-41-43(5,6)36(2,3)4)39(33)37(29-18-11-8-12-19-29,30-20-13-9-14-21-30)31-22-15-10-16-23-31/h7-16,18-23,27,33-34H,1,17,24-26,28H2,2-6H3/t33-,34-,39?/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3Cl)N)CO)O
InChI: InChI=1S/C11H14ClN5O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,10-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C[C@H]4[C@@]5([C@@]3(CCC6(C5)OCCO6)C)O4
InChI: InChI=1S/C21H30O4/c1-18-6-5-15-13(14(18)3-4-16(18)22)11-17-21(25-17)12-20(23-9-10-24-20)8-7-19(15,21)2/h13-15,17H,3-12H2,1-2H3/t13-,14+,15+,17-,18-,19+,21-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CC(=O)[O-]
InChI: InChI=1S/C14H13NO4S2/c1-7-4-9(7)10-3-2-8(19-10)5-11-13(18)15(6-12(16)17)14(20)21-11/h2-3,5,7,9H,4,6H2,1H3,(H,16,17)/p-1/b11-5-/t7-,9+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC(=C(C=C4)O)OC)O
InChI: InChI=1S/C25H32N2O4/c1-17-6-9-19(10-7-17)26-23(29)16-27-14-13-25(30)12-4-3-5-20(25)24(27)18-8-11-21(28)22(15-18)31-2/h6-11,15,20,24,28,30H,3-5,12-14,16H2,1-2H3,(H,26,29)/p+1/t20-,24-,25-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4/C=N/NC5=NC=CC=N5)O)C)O
InChI: InChI=1S/C24H36N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-27-28-21-25-12-3-13-26-21/h3,12-13,15-20,29-30H,4-11,14H2,1-2H3,(H,25,26,28)/b27-15+/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C[S@@](=O)[C@@H]2CCCC[C@@H]2OC(=O)CC[NH+]3CCOCC3
InChI: InChI=1S/C24H37NO4S/c1-24(2,3)20-10-8-19(9-11-20)18-30(27)22-7-5-4-6-21(22)29-23(26)12-13-25-14-16-28-17-15-25/h8-11,21-22H,4-7,12-18H2,1-3H3/p+1/t21-,22+,30+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NCCOC3=CC=CC=C3OC
InChI: InChI=1S/C20H27N3O5/c1-14-7-5-6-10-20(14)18(25)23(19(26)22-20)13-17(24)21-11-12-28-16-9-4-3-8-15(16)27-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,21,24)(H,22,26)/t14-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H]([C@@H]([C@@H]1[C@H](CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCOC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCOC
InChI: InChI=1S/C47H63NO9Si/c1-46(2,3)57-45(49)48-40(33-52-34-50-7)43(53-31-36-21-13-9-14-22-36)44(54-32-37-23-15-10-16-24-37)42(48)41(55-35-51-8)29-30-56-58(47(4,5)6,38-25-17-11-18-26-38)39-27-19-12-20-28-39/h9-28,40-44H,29-35H2,1-8H3/t40-,41+,42+,43-,44-/m1/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O
InChI: InChI=1S/C29H27N5O3S/c1-37-23-9-5-8-19-20(23)11-10-18-15-33(16-21(18)19)12-13-34-28(35)26-24(32-29(34)36)25-27(38-26)30-14-22(31-25)17-6-3-2-4-7-17/h2-9,14,18,21H,10-13,15-16H2,1H3,(H,32,36)/t18-,21+/m0/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C24H33NO4/c1-15-6-5-9-24(2)12-22-18(11-20(15)24)19(23(28)29-22)13-25(3)14-21(27)16-7-4-8-17(26)10-16/h4,7-8,10,18-22,26-27H,1,5-6,9,11-14H2,2-3H3/t18-,19-,20+,21-,22-,24-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2C[C@@H]2C3=C(N=C4C3=CC=CC=C4)Cl
InChI: InChI=1S/C19H16ClN/c1-12-7-9-13(10-8-12)15-11-16(15)18-14-5-3-2-4-6-17(14)21-19(18)20/h2-10,15-16H,11H2,1H3/t15-,16-/m0/s1
SMILES: C1CC1CO/N=C(/C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)\C(=O)N[C@H]6[C@@H]7N(C6=O)C(=C(CS7)COC(=O)N)C(=O)O
InChI: InChI=1S/C37H34N6O7S2/c38-35(48)49-19-23-20-51-33-29(32(45)43(33)30(23)34(46)47)40-31(44)28(42-50-18-22-16-17-22)27-21-52-36(39-27)41-37(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,21-22,29,33H,16-20H2,(H2,38,48)(H,39,41)(H,40,44)(H,46,47)/b42-28-/t29-,33-/m1/s1
SMILES: CCCCCCCCOCCCCOP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C46H61O8P/c1-2-3-4-5-6-19-30-48-31-20-21-32-52-55(47,53-36-42-28-17-10-18-29-42)38-44-46(51-35-41-26-15-9-16-27-41)45(50-34-40-24-13-8-14-25-40)43(54-44)37-49-33-39-22-11-7-12-23-39/h7-18,22-29,43-46H,2-6,19-21,30-38H2,1H3/t43-,44+,45-,46-,55?/m1/s1
SMILES: CO[C@@H](C1=CC=CC=C1)C(=O)O[C@@H]2CC[C@H]3C[C@@H]3C4=CC=CC=C24
InChI: InChI=1S/C21H22O3/c1-23-20(14-7-3-2-4-8-14)21(22)24-19-12-11-15-13-18(15)16-9-5-6-10-17(16)19/h2-10,15,18-20H,11-13H2,1H3/t15-,18-,19+,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=S)NNC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C
InChI: InChI=1S/C22H31N5OS/c1-14-9-8-12-20(15(14)2)23-22(29)25-24-21(28)13-19-16(3)26-27(17(19)4)18-10-6-5-7-11-18/h5-7,10-11,14-15,20H,8-9,12-13H2,1-4H3,(H,24,28)(H2,23,25,29)/t14-,15-,20+/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)O)N2C(=O)OC
InChI: InChI=1S/C11H15NO6/c1-17-10(15)8-6-4-3-5(7(8)9(13)14)12(6)11(16)18-2/h5-8H,3-4H2,1-2H3,(H,13,14)/t5-,6+,7+,8-/m1/s1
SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C21H27NO2.C17H19NO3/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-10,16,18,21,23-24H,11-15H2,1H3;2-5,10-11,13,16,19-20H,6-8H2,1H3/t;10-,11+,13-,16-,17-/m.0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O6/c1-21-26(31-18-23-12-6-3-7-13-23)27(32-19-24-14-8-4-9-15-24)28(29(34-21)35-22(2)30)33-20-25-16-10-5-11-17-25/h3-17,21,26-29H,18-20H2,1-2H3/t21-,26+,27+,28-,29+/m0/s1