EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
InChI: InChI=1S/C23H32O6/c1-21-7-5-14(24)10-13(21)3-4-16-18(21)19(26)20(27)22(2)15(6-8-23(16,22)28)12-9-17(25)29-11-12/h9,13-16,18,20,24,27-28H,3-8,10-11H2,1-2H3/t13-,14+,15-,16-,18-,20-,21+,22+,23+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)CO)O)O
InChI: InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(12(20(35)37-10)24-7(2)28)40-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20?,21-,22+/m1/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C27H44N4O7S/c1-15(2)19(28-39(36,37)29-20(16(3)4)24(34)38-26(5,6)7)23(33)30-14-11-18-21(30)27(12-8-13-27)25(35)31(18)22(32)17-9-10-17/h15-21,28-29H,8-14H2,1-7H3/t18-,19-,20-,21-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)[O-])SC4=C(C=NC=C4)CSCCNC(=O)C[NH3+]
InChI: InChI=1S/C22H23ClN8O6S4/c23-17-13(29-22(25)41-17)14(30-37)18(33)28-15-19(34)31-16(21(35)36)11(8-39-20(15)31)40-10-1-2-26-6-9(10)7-38-4-3-27-12(32)5-24/h1-2,6,15,20,37H,3-5,7-8,24H2,(H2,25,29)(H,27,32)(H,28,33)(H,35,36)/b30-14-/t15-,20-/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(=C5CN6CCCCC6)Br
InChI: InChI=1S/C35H46BrN3O8S/c1-23(2)19-39(48(42,43)25-11-12-31-27(18-25)28(33(36)46-31)20-38-14-7-4-8-15-38)21-30(40)29(17-24-9-5-3-6-10-24)37-35(41)47-32-22-45-34-26(32)13-16-44-34/h3,5-6,9-12,18,23,26,29-30,32,34,40H,4,7-8,13-17,19-22H2,1-2H3,(H,37,41)/t26-,29-,30+,32?,34+/m0/s1
SMILES: C[C@H]1[C@@H](CCN2[C@@H]1C3=CC(=C(C=C3CC2)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC
InChI: InChI=1S/C28H38N2O4/c1-17-18(12-23-21-15-26(33-4)24(31-2)13-19(21)6-9-29-23)7-10-30-11-8-20-14-25(32-3)27(34-5)16-22(20)28(17)30/h13-18,23,28-29H,6-12H2,1-5H3/t17-,18-,23+,28-/m0/s1
SMILES: CCC1=NC(=NN1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)NC(CO)C(C)C)NCC(C5=CC=CC=C5)C6=CC=CC=C6)O)O
InChI: InChI=1S/C32H39N9O4/c1-4-23-36-29(40-39-23)27-25(43)26(44)31(45-27)41-17-34-24-28(37-32(38-30(24)41)35-22(16-42)18(2)3)33-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22,25-27,31,42-44H,4,15-16H2,1-3H3,(H,36,39,40)(H2,33,35,37,38)/t22?,25-,26+,27-,31+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=NC=C5
InChI: InChI=1S/C22H17N3O3/c26-21-18-19(15-11-13-23-14-12-15)25(17-9-5-2-6-10-17)28-20(18)22(27)24(21)16-7-3-1-4-8-16/h1-14,18-20H/t18-,19-,20-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=C(C(=O)CC[C@]34C)O
InChI: InChI=1S/C24H37NO3/c1-22(2,3)25-21(28)18-9-8-15-14-6-7-17-20(27)19(26)11-13-23(17,4)16(14)10-12-24(15,18)5/h14-16,18,27H,6-13H2,1-5H3,(H,25,28)/t14-,15-,16-,18+,23+,24-/m0/s1
SMILES: COC1=C(C2=C(C[C@H]3[C@@H]4[C@@]2(CN3C(=O)OCC5=CC=CC=C5)C=CC(=O)[C@H]4O)C=C1)OCC6=CC=CC=C6
InChI: InChI=1S/C31H29NO6/c1-36-25-13-12-22-16-23-27-28(34)24(33)14-15-31(27,26(22)29(25)37-17-20-8-4-2-5-9-20)19-32(23)30(35)38-18-21-10-6-3-7-11-21/h2-15,23,27-28,34H,16-19H2,1H3/t23-,27-,28+,31+/m0/s1
SMILES: CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H27N3O2/c1-16-5-4-6-17(13-16)14-22-9-11-23(12-10-22)15-24-20(25)18-7-2-3-8-19(18)21(24)26/h2-6,13,18-19H,7-12,14-15H2,1H3/p+2/t18-,19-/m0/s1
SMILES: C[C@@H]1CCC2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@H]([C@@H]([C@]5(CO)O)O)O)C)C)C2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C35H56O12/c1-17-8-11-34(29(43)47-28-25(41)24(40)23(39)20(15-36)46-28)13-12-31(3)18(26(34)33(17,5)44)6-7-21-30(2)14-19(38)27(42)35(45,16-37)22(30)9-10-32(21,31)4/h6,17,19-28,36-42,44-45H,7-16H2,1-5H3/t17-,19-,20-,21?,22?,23-,24+,25-,26?,27+,28+,30-,31-,32-,33-,34?,35-/m1/s1
SMILES: C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4OC3=S)O)C(OC)OC
InChI: InChI=1S/C20H20N2O7S/c1-20(18(26-2)27-3)17(23)16(12-10-11(22(24)25)8-9-14(12)29-20)21-13-6-4-5-7-15(13)28-19(21)30/h4-10,16-18,23H,1-3H3/t16-,17-,20-/m1/s1
SMILES: C[C@H](C(=O)O[C@H]1C[C@H]([C@H]2[C@@H]1C2)O)OC3=CC=CC=C3
InChI: InChI=1S/C15H18O4/c1-9(18-10-5-3-2-4-6-10)15(17)19-14-8-13(16)11-7-12(11)14/h2-6,9,11-14,16H,7-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
SMILES: COCO[C@@H]1CN2[C@@H]([C@H]1OCOC)C[C@@H](O2)CC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C19H27NO7/c1-22-12-25-17-10-20-16(19(17)26-13-23-2)8-15(27-20)9-18(21)24-11-14-6-4-3-5-7-14/h3-7,15-17,19H,8-13H2,1-2H3/t15-,16-,17-,19-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CC(=O)N
InChI: InChI=1S/C19H21ClN4O4/c1-18(2,3)24-15(26)12-10(7-11(21)25)23-19(13(12)16(24)27)8-5-4-6-9(20)14(8)22-17(19)28/h4-6,10,12-13,23H,7H2,1-3H3,(H2,21,25)(H,22,28)/p+1/t10-,12-,13+,19-/m1/s1
SMILES: CC1=C(C[C@H](C(O1)(C)C)Br)[C@H]2CC[C@]([C@H](C2)Br)(C)Cl
InChI: InChI=1S/C15H23Br2ClO/c1-9-11(8-12(16)14(2,3)19-9)10-5-6-15(4,18)13(17)7-10/h10,12-13H,5-8H2,1-4H3/t10-,12+,13-,15-/m0/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]([C@H](C2)NC3=NC=NC(=C3N)N)CCO
InChI: InChI=1S/C12H19N5O/c13-10-11(14)15-5-16-12(10)17-9-4-6-3-8(6)7(9)1-2-18/h5-9,18H,1-4,13H2,(H3,14,15,16,17)/t6-,7-,8-,9-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](OC(=O)[C@@]1(CC=C)OCC=C)[C@@H]2COC(O2)(C)C
InChI: InChI=1S/C17H24O7/c1-6-8-17(20-9-7-2)14(22-11(3)18)13(23-15(17)19)12-10-21-16(4,5)24-12/h6-7,12-14H,1-2,8-10H2,3-5H3/t12-,13+,14-,17-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CC2=C(C=CC=C2Cl)F
InChI: InChI=1S/C18H23ClFNO3/c1-11-6-3-4-9-16(11)21-18(23)12(2)24-17(22)10-13-14(19)7-5-8-15(13)20/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3,(H,21,23)/t11-,12+,16+/m0/s1
SMILES: C1=CC=C(C=C1)COC/C=C/[C@H]2[C@H](OC(=O)O2)[C@@H](COCC3=CC=CC=C3)O
InChI: InChI=1S/C22H24O6/c23-19(16-26-15-18-10-5-2-6-11-18)21-20(27-22(24)28-21)12-7-13-25-14-17-8-3-1-4-9-17/h1-12,19-21,23H,13-16H2/b12-7+/t19-,20+,21-/m1/s1
SMILES: C1CO[C@@]2(CO1)C(=O)[C@H]3[C@@H](CO2)OC(O3)(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C23H24O6/c24-21-20-19(15-27-23(21)16-25-11-12-26-23)28-22(29-20,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-,23-/m1/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@@H]([C@H]1C(=C(S[C@]1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)N(C)CC4=CC=CC=C4)N=NC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C44H46N4O10S/c1-28(49)55-27-37(56-29(2)50)40(57-30(3)51)41(58-31(4)52)38-39(47-46-35-20-14-9-15-21-35)42(48(5)26-32-16-10-7-11-17-32)59-44(38,33-18-12-8-13-19-33)43(53)45-34-22-24-36(54-6)25-23-34/h7-25,37-38,40-41H,26-27H2,1-6H3,(H,45,53)/t37-,38-,40-,41-,44+/m1/s1
SMILES: C[C@]1([C@H]([C@H](C2=C(O1)C=CC(=C2)N)NC(=NCC3=CC(=CC=C3)C(F)(F)F)NC#N)O)C(OC)OC
InChI: InChI=1S/C23H26F3N5O4/c1-22(20(33-2)34-3)19(32)18(16-10-15(28)7-8-17(16)35-22)31-21(30-12-27)29-11-13-5-4-6-14(9-13)23(24,25)26/h4-10,18-20,32H,11,28H2,1-3H3,(H2,29,30,31)/t18-,19-,22-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CS8
InChI: InChI=1S/C37H28BrClN2O5S/c38-21-11-14-30(42)28(16-21)32-25-12-13-26-31(35(45)40(33(26)43)19-24-10-5-15-47-24)27(25)18-29-34(44)41(23-9-4-8-22(39)17-23)36(46)37(29,32)20-6-2-1-3-7-20/h1-12,14-17,26-27,29,31-32,42H,13,18-19H2/t26-,27+,29-,31-,32+,37+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C20H21ClN2O/c1-13-7-8-18-15(11-13)16-12-22(2)10-9-19(16)23(18)20(24)14-5-3-4-6-17(14)21/h3-8,11,16,19H,9-10,12H2,1-2H3/t16-,19-/m0/s1
SMILES: CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCCC4)N5C1=N[C@H]6[C@@H]5CCC6
InChI: InChI=1S/C25H31N5O/c1-28-24(31)22-23(30-20-14-8-13-19(20)26-25(28)30)27-21(15-17-9-4-2-5-10-17)29(22)16-18-11-6-3-7-12-18/h3,6-7,11-12,17,19-20H,2,4-5,8-10,13-16H2,1H3/t19-,20+/m1/s1
SMILES: CC1=CC=CC=[N+]1[C@@H]2[C@@H]([C@@H](C(=N[C@@]2(C3CC3)O)C(=C=N)C#N)C#N)C4=CC=CC=C4
InChI: InChI=1S/C24H22N5O/c1-16-7-5-6-12-29(16)23-21(17-8-3-2-4-9-17)20(15-27)22(18(13-25)14-26)28-24(23,30)19-10-11-19/h2-9,12,19-21,23,25,30H,10-11H2,1H3/q+1/t20-,21+,23+,24-/m0/s1
SMILES: CC(C)(C)[C@H](C1=CC=CC(=N1)C2=CC=C(C=C2)OCCOC(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)OC)O4)O
InChI: InChI=1S/C27H31NO7/c1-27(2,3)24(29)19-7-5-6-18(28-19)16-8-10-17(11-9-16)33-14-15-34-26(31)23-21-13-12-20(35-21)22(23)25(30)32-4/h5-13,20-24,29H,14-15H2,1-4H3/t20-,21+,22-,23+,24-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CC4=C3C=CC(=C4)O)C(=O)OC
InChI: InChI=1S/C20H26O4/c1-20-8-7-14-13-4-3-12(21)9-11(13)10-15(19(23)24-2)18(14)16(20)5-6-17(20)22/h3-4,9,14-18,21-22H,5-8,10H2,1-2H3/t14-,15+,16+,17+,18+,20+/m1/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)O)OC3[C@@H]([C@@]4(CCOC(=O)C4=CO3)O)C=C)CO)O
InChI: InChI=1S/C26H30O13/c1-3-14-24(36-12-15-23(32)35-9-8-26(14,15)33)39-25-21(31)20(30)22(18(11-27)37-25)38-19(29)7-5-13-4-6-16(28)17(10-13)34-2/h3-7,10,12,14,18,20-22,24-25,27-28,30-31,33H,1,8-9,11H2,2H3/b7-5+/t14-,18+,20-,21+,22-,24?,25-,26+/m0/s1
SMILES: C[C@H]1[C@]2(CC[C@@H]([C@]2(CCC13OCCO3)C)/C=C/C(=O)OC)O
InChI: InChI=1S/C17H26O5/c1-12-16(19)7-6-13(4-5-14(18)20-3)15(16,2)8-9-17(12)21-10-11-22-17/h4-5,12-13,19H,6-11H2,1-3H3/b5-4+/t12-,13-,15+,16-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3(N1)C4=C(C=CC(=C4)F)NC3=O)O
InChI: InChI=1S/C19H22FN3O4/c1-8(24)14-12-13(16(26)23(15(12)25)18(2,3)4)19(22-14)10-7-9(20)5-6-11(10)21-17(19)27/h5-8,12-14,22,24H,1-4H3,(H,21,27)/t8-,12+,13+,14-,19+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C42H28Cl2F3N5O7/c43-22-7-5-20(6-8-22)41-31(38(55)51(40(41)57)49-36-32(44)17-21(19-48-36)42(45,46)47)18-30-28(35(41)27-15-16-33(53)26-4-2-1-3-25(26)27)13-14-29-34(30)39(56)50(37(29)54)23-9-11-24(12-10-23)52(58)59/h1-13,15-17,19,29-31,34-35,53H,14,18H2,(H,48,49)/t29-,30+,31-,34-,35-,41+/m0/s1
SMILES: C\1C/C=C\CC[C@H]2[C@H](C2C(=O)NC3=C(C=C(C=C3)Cl)Cl)CC/C=C1
InChI: InChI=1S/C20H23Cl2NO/c21-14-11-12-18(17(22)13-14)23-20(24)19-15-9-7-5-3-1-2-4-6-8-10-16(15)19/h3-6,11-13,15-16,19H,1-2,7-10H2,(H,23,24)/b5-3-,6-4+/t15-,16+,19?/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC(=O)NC(C)C
InChI: InChI=1S/C17H26N4O6/c1-10(2)18-15(25)19-12(22)9-27-13(23)8-21-14(24)17(20-16(21)26)7-5-4-6-11(17)3/h10-11H,4-9H2,1-3H3,(H,20,26)(H2,18,19,22,25)/t11-,17+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@H]6CCCO6)S(=O)(=O)C)O)C(=C5)C(=O)C7=CC=CC=C7C8=CC=CC=C8)O)C
InChI: InChI=1S/C41H51NO6S/c1-37-18-15-29(43)24-39(37)21-22-41(33(25-39)36(44)32-14-8-7-13-31(32)28-10-5-4-6-11-28)34(37)16-19-38(2)35(41)17-20-40(38,45)27-42(49(3,46)47)26-30-12-9-23-48-30/h4-8,10-11,13-14,21-22,25,29-30,34-35,43,45H,9,12,15-20,23-24,26-27H2,1-3H3/t29?,30-,34-,35-,37-,38+,39+,40-,41-/m1/s1
SMILES: CC#C[C@@H]([C@@H]1[C@@H](NC(=O)O1)C#CCCOS(=O)(=O)C2=CC=C(C=C2)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H33NO6SSi/c1-8-11-21(31-33(6,7)24(3,4)5)22-20(25-23(26)30-22)12-9-10-17-29-32(27,28)19-15-13-18(2)14-16-19/h13-16,20-22H,10,17H2,1-7H3,(H,25,26)/t20-,21-,22-/m0/s1
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C27H28O18/c28-6-13-15(32)17(34)20(37)27(43-13)44-23-16(33)14-11(31)4-8(41-26-21(38)18(35)19(36)24(45-26)25(39)40)5-12(14)42-22(23)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-21,24,26-32,34-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,21-,24+,26-,27+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CC(=C(C1=O)Br)C(=O)OCC2=CC=C(C=C2)OC)OC(=O)C(F)(F)F
InChI: InChI=1S/C23H28BrF3O7Si/c1-22(2,3)35(5,6)34-19-16(33-21(30)23(25,26)27)11-15(17(24)18(19)28)20(29)32-12-13-7-9-14(31-4)10-8-13/h7-10,16,19H,11-12H2,1-6H3/t16-,19+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5=C4C(=O)C[C@@](C5)(C)O)O)O)O
InChI: InChI=1S/C25H24O8/c1-10-21(28)15(26)7-17(33-10)12-5-6-14-20(22(12)29)24(31)13-4-3-11-8-25(2,32)9-16(27)18(11)19(13)23(14)30/h3-6,10,15,17,21,26,28-29,32H,7-9H2,1-2H3/t10-,15-,17-,21-,25-/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(=CC=C5)[N+](=O)[O-])C6=C(C(=CC=C6)OC)O
InChI: InChI=1S/C30H24N2O8/c1-14-11-22(33)21-13-20-17(24(26(21)27(14)34)18-7-4-8-23(40-2)28(18)35)9-10-19-25(20)30(37)31(29(19)36)15-5-3-6-16(12-15)32(38)39/h3-9,11-12,19-20,24-25,35H,10,13H2,1-2H3/t19-,20+,24+,25-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)CCCC(=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C35H34ClFN2O9/c1-35-22(10-6-17-13-26(47-2)30(42)27(14-17)48-3)19-8-9-20-29(33(45)38(31(20)43)12-4-5-28(40)41)21(19)16-23(35)32(44)39(34(35)46)18-7-11-25(37)24(36)15-18/h6-8,10-11,13-15,20-23,29,42H,4-5,9,12,16H2,1-3H3,(H,40,41)/t20-,21+,22-,23-,29-,35-/m0/s1
SMILES: CCCCCC[C@]1([C@H](O1)N2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H20Cl2N2O/c1-2-3-4-5-8-17(14-7-6-13(18)11-15(14)19)16(22-17)21-10-9-20-12-21/h6-7,9-12,16H,2-5,8H2,1H3/t16-,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)CCCC(=O)O)CSC4=CC=CC=[N+]4[O-]
InChI: InChI=1S/C29H32N2O7S/c1-19-24(18-39-26-6-2-3-16-31(26)36)37-29(38-28(19)21-10-8-20(17-32)9-11-21)22-12-14-23(15-13-22)30-25(33)5-4-7-27(34)35/h2-3,6,8-16,19,24,28-29,32H,4-5,7,17-18H2,1H3,(H,30,33)(H,34,35)/t19-,24+,28+,29+/m1/s1
SMILES: CCCCCCCCOC1=CC=C(C=C1)OC[C@@]23CC[C@@H]([C@@]4(CC[C@H]2N(C4=O)C)COC5=CC=C(C=C5)OCCCCCCCC)N(C3=O)C
InChI: InChI=1S/C42H62N2O6/c1-5-7-9-11-13-15-29-47-33-17-21-35(22-18-33)49-31-41-27-25-38(44(4)39(41)45)42(28-26-37(41)43(3)40(42)46)32-50-36-23-19-34(20-24-36)48-30-16-14-12-10-8-6-2/h17-24,37-38H,5-16,25-32H2,1-4H3/t37-,38+,41+,42-
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCC3)C(=O)CC4CCCC4)C(=O)NCCO
InChI: InChI=1S/C29H39IN2O7/c1-38-25-13-19(17-34)12-22(30)28(25)39-24-16-20(29(37)31-10-11-33)15-23(27(24)36)32(21-8-4-5-9-21)26(35)14-18-6-2-3-7-18/h12-13,16-18,21,23-24,27,33,36H,2-11,14-15H2,1H3,(H,31,37)/t23-,24+,27+/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C2=CSC(=N2)N
InChI: InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1
SMILES: C[C@H](/C=C/[C@@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C
InChI: InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)23-13-14-24-22(8-7-15-28(23,24)6)12-11-21-16-25(29)20(3)26(30)17-21/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,22-12+/t18-,19-,23-,24+,25-,26-,28-/m1/s1
SMILES: C[As](=O)(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)OCC(CO)O)O)O
InChI: InChI=1S/C10H21AsO7/c1-11(2,16)3-7-8(14)9(15)10(18-7)17-5-6(13)4-12/h6-10,12-15H,3-5H2,1-2H3/t6?,7-,8-,9-,10-/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)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=NC=CN6C
InChI: InChI=1S/C40H44N4O6S2/c1-27-9-19-34(20-10-27)52(47,48)43-35(23-29-7-5-4-6-8-29)38(46)42-24-30-11-17-33(18-12-30)39-49-36(26-51-40-41-21-22-44(40)3)28(2)37(50-39)32-15-13-31(25-45)14-16-32/h4-22,28,35-37,39,43,45H,23-26H2,1-3H3,(H,42,46)/t28-,35-,36+,37+,39+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CN=CC=C2
InChI: InChI=1S/C14H16F3N3O4/c1-3-24-11(21)9-10(8-5-4-6-18-7-8)19-12(22)20(2)13(9,23)14(15,16)17/h4-7,9-10,23H,3H2,1-2H3,(H,19,22)/t9-,10-,13+/m0/s1
SMILES: C[C@@H]1[C@H](OC2=C1C(=C(C=C2)O)C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C17H16O4/c1-10-14-13(9-8-12(18)15(14)17(19)20-2)21-16(10)11-6-4-3-5-7-11/h3-10,16,18H,1-2H3/t10-,16-/m0/s1
SMILES: CSCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C16H17F3N2O4S/c1-9-12(14(22)24-7-8-26-2)13(21-15(23)20-9)10-3-5-11(6-4-10)25-16(17,18)19/h3-6,12-13H,1,7-8H2,2H3,(H2,20,21,23)/t12-,13+/m0/s1
SMILES: CN1[C@@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14+,15-/m1/s1
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])N[C@@H]2[C@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O
InChI: InChI=1S/C13H18N2O7/c1-6-4-7(15(20)21)2-3-8(6)14-13-11(19)10(18)12(22-13)9(17)5-16/h2-4,9-14,16-19H,5H2,1H3/t9-,10+,11+,12+,13+/m1/s1
SMILES: CC(=O)O[C@@]1([C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=NC=CS5
InChI: InChI=1S/C31H31NO6S/c1-23(33)37-31(30-32-17-18-39-30)29(36-21-26-15-9-4-10-16-26)28(35-20-25-13-7-3-8-14-25)27(38-31)22-34-19-24-11-5-2-6-12-24/h2-18,27-29H,19-22H2,1H3/t27-,28-,29-,31-/m1/s1
SMILES: CC(C)(C)C(=O)OCOC(=O)CN1[C@@H]([C@@H](C1=O)NC(=O)C2=C(C=CC=C2OC)OC)S(=O)(=O)CC3=CC=CC=C3
InChI: InChI=1S/C27H32N2O10S/c1-27(2,3)26(33)39-16-38-20(30)14-29-24(32)22(25(29)40(34,35)15-17-10-7-6-8-11-17)28-23(31)21-18(36-4)12-9-13-19(21)37-5/h6-13,22,25H,14-16H2,1-5H3,(H,28,31)/t22-,25-/m1/s1
SMILES: CN1[C@@H]2C[C@H]([C@@H]([C@H]1[C@@H](C2)OCOC)C(=O)OC)O
InChI: InChI=1S/C12H21NO5/c1-13-7-4-8(14)10(12(15)17-3)11(13)9(5-7)18-6-16-2/h7-11,14H,4-6H2,1-3H3/t7-,8-,9-,10+,11-/m1/s1
SMILES: C[C@@H](C(=O)N[C@@H]1CCCC2=CC=CC=C12)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24N2O3/c1-13(23-20(25)16-10-4-5-11-17(16)21(23)26)19(24)22-18-12-6-8-14-7-2-3-9-15(14)18/h2-5,7,9,13,16-18H,6,8,10-12H2,1H3,(H,22,24)/t13-,16-,17+,18+/m0/s1
SMILES: C=C1C[C@@H]2C[C@]23C1C[C@H](C4=C3C=CC5=C4C=CC(=C5)O)O
InChI: InChI=1S/C19H18O2/c1-10-6-12-9-19(12)15-5-2-11-7-13(20)3-4-14(11)18(15)17(21)8-16(10)19/h2-5,7,12,16-17,20-21H,1,6,8-9H2/t12-,16?,17-,19+/m1/s1
SMILES: C[C@@H]1CC2=C([C@@H](NC3=CC=CC=C3N2)C4=C(C(=CC=C4)OC)O)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C23H24N2O5/c1-12-11-16-19(22(27)18(12)23(28)30-3)20(13-7-6-10-17(29-2)21(13)26)25-15-9-5-4-8-14(15)24-16/h4-10,12,18,20,24-26H,11H2,1-3H3/t12-,18-,20+/m1/s1
SMILES: CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN(C)CC4=CC(=O)C(=CN4O)O)C(=O)O
InChI: InChI=1S/C24H27N7O10S2/c1-24(2,22(38)39)41-28-15(12-9-43-23(25)26-12)18(34)27-16-19(35)31-17(21(36)37)10(8-42-20(16)31)5-29(3)6-11-4-13(32)14(33)7-30(11)40/h4,7,9,16,20,33,40H,5-6,8H2,1-3H3,(H2,25,26)(H,27,34)(H,36,37)(H,38,39)/b28-15+/t16-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=C(C(=C(C=C3)F)F)F
InChI: InChI=1S/C18H18F3N3O4/c1-9-4-2-3-5-12(9)24-17(27)16(26)23(18(24)28)8-13(25)22-11-7-6-10(19)14(20)15(11)21/h6-7,9,12H,2-5,8H2,1H3,(H,22,25)/t9-,12-/m0/s1
SMILES: CCOC(=O)C1=C([C@H]([C@@H]1C(=O)C2=CC=C(C=C2)Br)C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H17BrO7/c1-4-26-18(23)13-11(15(20)9-5-7-10(19)8-6-9)12(16(21)24-2)14(13)17(22)25-3/h5-8,11-12H,4H2,1-3H3/t11-,12-/m0/s1
SMILES: C[C@]12CCC3C(C1C[C@H](C2=C)O)[C@@H]([C@@H](C4=C3C=CC(=C4)O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
InChI: InChI=1S/C33H47F5O4S/c1-21-28(40)20-27-29-24(14-16-31(21,27)2)23-13-12-22(39)19-26(23)30(41)25(29)11-8-6-4-3-5-7-9-17-43(42)18-10-15-32(34,35)33(36,37)38/h12-13,19,24-25,27-30,39-41H,1,3-11,14-18,20H2,2H3/t24?,25-,27?,28+,29?,30-,31+,43?/m0/s1
SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)O
InChI: InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13-,14+,15+,17+,21+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)C
InChI: InChI=1S/C26H40O6/c1-16(4-7-23(29)30)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(31-14-27)12-17(25)13-22(24)32-15-28/h14-22,24H,4-13H2,1-3H3,(H,29,30)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
SMILES: C[C@@]1([C@@H](N1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C5=NC(CO5)(C)C
InChI: InChI=1S/C21H21N3OS/c1-20(2)13-25-19(23-20)21(3)17(24(21)14-9-5-4-6-10-14)18-22-15-11-7-8-12-16(15)26-18/h4-12,17H,13H2,1-3H3/t17-,21+,24?/m0/s1
SMILES: CCOC(=O)C1(CC2C=CC[C@@H]([C@]2(C1)C)C)C(=O)COCC3=CC=CC=C3
InChI: InChI=1S/C23H30O4/c1-4-27-21(25)23(13-19-12-8-9-17(2)22(19,3)16-23)20(24)15-26-14-18-10-6-5-7-11-18/h5-8,10-12,17,19H,4,9,13-16H2,1-3H3/t17-,19?,22+,23?/m0/s1
SMILES: CC(=O)O[C@]1(C[C@@]1(/C=C/SC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C20H30O3SSi/c1-16(21)22-19(5)15-20(19,23-25(6,7)18(2,3)4)13-14-24-17-11-9-8-10-12-17/h8-14H,15H2,1-7H3/b14-13+/t19-,20+/m0/s1
SMILES: CC(COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)S2)[C@H]3[C@H]4[C@@H]([C@H](O3)COCC5=CC=CC=C5)OC6(O4)CCCCC6
InChI: InChI=1S/C31H35NO7S/c1-20(17-36-23-12-10-21(11-13-23)16-25-29(33)32-30(34)40-25)26-28-27(38-31(39-28)14-6-3-7-15-31)24(37-26)19-35-18-22-8-4-2-5-9-22/h2,4-5,8-13,16,20,24,26-28H,3,6-7,14-15,17-19H2,1H3,(H,32,33,34)/b25-16-/t20?,24-,26+,27-,28+/m1/s1
SMILES: CCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C19H21NO5/c1-2-9-25-19(24)11-5-7-14(8-6-11)20-17(21)15-12-3-4-13(10-12)16(15)18(22)23/h3-8,12-13,15-16H,2,9-10H2,1H3,(H,20,21)(H,22,23)/t12-,13+,15-,16-/m0/s1
SMILES: CC1(CC(CC(N1[O])(C)C)N(C(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)N=O)C
InChI: InChI=1S/C16H29N4O8/c1-15(2)5-8(6-16(3,4)20(15)27)19(18-26)14(25)17-10-12(23)11(22)9(7-21)28-13(10)24/h8-13,21-24H,5-7H2,1-4H3,(H,17,25)/t9-,10-,11-,12-,13?/m1/s1
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES: CC(=O)O[C@H]1CC([C@@H]2CCC3=C[C@@](CC[C@@H]3[C@]2([C@H]1O)C)(C)C=C)(C)C
InChI: InChI=1S/C22H34O3/c1-7-21(5)11-10-16-15(12-21)8-9-18-20(3,4)13-17(25-14(2)23)19(24)22(16,18)6/h7,12,16-19,24H,1,8-11,13H2,2-6H3/t16-,17-,18-,19-,21-,22+/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C15H15NO4/c1-8-4-2-3-5-9(8)16-14(17)12-10-6-7-11(20-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/t10-,11+,12+,13+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)COCCOC)C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C42H62O6/c1-28(2)30-16-21-42(37(44)47-26-29-12-10-9-11-13-29)23-22-40(6)31(36(30)42)14-15-33-39(5)19-18-34(48-35(43)27-46-25-24-45-8)38(3,4)32(39)17-20-41(33,40)7/h9-13,30-34,36H,1,14-27H2,2-8H3/t30-,31?,32?,33?,34-,36?,39-,40+,41+,42-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H18Cl2N2O3/c18-13-6-5-10(9-14(13)19)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h5-6,9,11-12H,1-4,7-8H2,(H,20,22)/t11-,12-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H](C3=CC(=C(C=C3[C@H]2C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OCC6=CC=CC=C6)OC)CCCl
InChI: InChI=1S/C41H41ClO7S/c1-28-14-17-32(18-15-28)50(43,44)49-27-36-33(20-21-42)34-23-39(46-3)40(48-26-30-12-8-5-9-13-30)24-35(34)41(36)31-16-19-37(38(22-31)45-2)47-25-29-10-6-4-7-11-29/h4-19,22-24,33,36,41H,20-21,25-27H2,1-3H3/t33-,36-,41-/m1/s1
SMILES: C[C@]12C[C@@H](C3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)C#CCN(C)C(=O)CCl
InChI: InChI=1S/C30H34ClNO3/c1-30-17-25(20-7-5-19(6-8-20)4-3-15-32(2)28(35)18-31)29-23-12-10-22(33)16-21(23)9-11-24(29)26(30)13-14-27(30)34/h5-8,10,12,16,24-27,29,33-34H,9,11,13-15,17-18H2,1-2H3/t24?,25-,26?,27+,29?,30+/m1/s1
SMILES: C[C@@]1(CCC2=C(C1)C(=O)C[C@H]3[C@]2(CCC[C@@]3(C)C(=O)OC)C)C=C
InChI: InChI=1S/C21H30O3/c1-6-19(2)11-8-15-14(13-19)16(22)12-17-20(15,3)9-7-10-21(17,4)18(23)24-5/h6,17H,1,7-13H2,2-5H3/t17-,19-,20-,21+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C36H42N2O13/c1-7-16-45-34(43)30(38-36(44)47-17-28-26-14-10-8-12-24(26)25-13-9-11-15-27(25)28)19(2)48-35-31(37-20(3)39)33(50-23(6)42)32(49-22(5)41)29(51-35)18-46-21(4)40/h7-15,19,28-33,35H,1,16-18H2,2-6H3,(H,37,39)(H,38,44)/t19-,29-,30+,31-,32-,33-,35-/m1/s1
SMILES: CCCO[C@@]12CCC(=O)[C@]3([C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)C)C
InChI: InChI=1S/C21H27NO4/c1-4-11-25-21-8-7-16(24)19(2)20(21)9-10-22(3)15(21)12-13-5-6-14(23)18(26-19)17(13)20/h5-6,15,23H,4,7-12H2,1-3H3/t15-,19+,20+,21-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)CO)O)O)O
InChI: InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12?,13-,14+,15+,16-,17-,18-,19-,20?,21-,22+,23-,24+,25-,26+/m1/s1