EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC(=CC(=C4)OC)OC)CC5=CC(=CC=C5)C(=O)NC6=NC=CN=C6)CC7=CC=CC=C7)C
InChI: InChI=1S/C43H45N5O6/c1-43(2)53-39-36(23-29-12-7-5-8-13-29)47(27-31-16-11-17-33(20-31)41(49)46-38-26-44-18-19-45-38)42(50)48(28-32-21-34(51-3)25-35(22-32)52-4)37(40(39)54-43)24-30-14-9-6-10-15-30/h5-22,25-26,36-37,39-40H,23-24,27-28H2,1-4H3,(H,45,46,49)/t36-,37-,39+,40+/m1/s1
SMILES: CCOC1=NC2=C(C=CC=C2S(=O)(=O)C)C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C36H46N4O10S/c1-3-48-30-19-28(26-15-10-16-29(32(26)38-30)51(2,46)47)49-25-18-27-33(42)39-36(34(43)44)20-22(36)11-6-4-5-7-12-23(17-31(41)40(27)21-25)37-35(45)50-24-13-8-9-14-24/h6,10-11,15-16,19,22-25,27H,3-5,7-9,12-14,17-18,20-21H2,1-2H3,(H,37,45)(H,39,42)(H,43,44)/b11-6-/t22-,23-,25+,27-,36+/m0/s1
SMILES: CC[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H]3[C@H](C[C@H](C(O3)(/C=C\CC(CC[C@@](C)(COS(=O)(=O)C4=CC=C(C=C4)C)O)O)OC)C)C
InChI: InChI=1S/C44H64O8SSi/c1-10-36(31-51-54(42(5,6)7,39-19-13-11-14-20-39)40-21-15-12-16-22-40)41-34(3)30-35(4)44(49-9,52-41)28-17-18-37(45)27-29-43(8,46)32-50-53(47,48)38-25-23-33(2)24-26-38/h11-17,19-26,28,34-37,41,45-46H,10,18,27,29-32H2,1-9H3/b28-17-/t34-,35+,36-,37?,41-,43-,44?/m0/s1
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C14H10N2O5/c17-13-11-9-4-5-10(21-9)12(11)14(18)15(13)7-2-1-3-8(6-7)16(19)20/h1-6,9-12H/t9-,10+,11-,12-/m0/s1
SMILES: C[C@@]12C[C@@H](CC([C@H]1CCC[C@H]2OCOC)(C(=O)OC)C(=O)OC)O[Si](C)(C)C
InChI: InChI=1S/C20H36O7Si/c1-19-11-14(27-28(5,6)7)12-20(17(21)24-3,18(22)25-4)15(19)9-8-10-16(19)26-13-23-2/h14-16H,8-13H2,1-7H3/t14-,15-,16+,19+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)O)O)O)O
InChI: InChI=1S/C22H30N2O9/c1-22(2,3)33-21(30)24-14(8-11-9-23-13-7-5-4-6-12(11)13)19(28)31-10-15-16(25)17(26)18(27)20(29)32-15/h4-7,9,14-18,20,23,25-27,29H,8,10H2,1-3H3,(H,24,30)/t14-,15-,16-,17-,18-,20+/m0/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H21NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11+,12-,13+,14-/m0/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H23N3O7/c1-19-7-5-10-22(17-19)32-29(35)26-27(20-13-15-25(16-14-20)40-31(37)21-8-3-2-4-9-21)33(41-28(26)30(32)36)23-11-6-12-24(18-23)34(38)39/h2-18,26-28H,1H3/t26-,27+,28+/m1/s1
SMILES: CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)F)C3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)C
InChI: InChI=1S/C21H22FN3O3S2/c1-13-7-14(2)9-17(8-13)25(10-20(26)23-16-5-3-15(22)4-6-16)21-24-18-11-30(27,28)12-19(18)29-21/h3-9,18-19H,10-12H2,1-2H3,(H,23,26)/t18-,19-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H20ClN3O5/c1-11(24-18(26)14-4-2-3-5-15(14)19(24)27)20(28)29-10-17(25)23-16-8-13(21)7-6-12(16)9-22/h6-8,11,14-15H,2-5,10H2,1H3,(H,23,25)/t11-,14+,15+/m0/s1
SMILES: CN(C)C(=O)C=CC1=CC=CC(=C1)CN2[C@H]3C(=O)O[C@@H]4C[C@]3([C@H](O2)[C@@H]5[C@H]4OC(O5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCCO
InChI: InChI=1S/C36H37N3O8/c1-38(2)28(41)17-16-23-10-9-11-24(20-23)22-39-31-33(42)44-27-21-35(31,34(43)37-18-19-40)32(47-39)30-29(27)45-36(46-30,25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-17,20,27,29-32,40H,18-19,21-22H2,1-2H3,(H,37,43)/t27-,29+,30+,31+,32-,35+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)[C@H]2[C@H]3CN(CC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C)OCC
InChI: InChI=1S/C23H25N5O2/c1-4-29-19-7-6-15(10-20(19)30-5-2)21-18-12-28(3)9-8-16(18)17(11-24)22(27)23(21,13-25)14-26/h6-8,10,17-18,21,27H,4-5,9,12H2,1-3H3/t17-,18+,21+/m1/s1
SMILES: CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C(C)(C)C)C)C
InChI: InChI=1S/C26H40O4/c1-16(27)29-22-10-9-20-19-8-7-17-15-18(30-23(28)24(2,3)4)11-13-25(17,5)21(19)12-14-26(20,22)6/h7,18-22H,8-15H2,1-6H3/t18-,19-,20-,21-,22?,25-,26-/m0/s1
SMILES: C[C@H]1[C@@H]2CCC[NH+]2CC[NH+]1CC3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C18H28N2/c1-14(2)17-8-6-16(7-9-17)13-20-12-11-19-10-4-5-18(19)15(20)3/h6-9,14-15,18H,4-5,10-13H2,1-3H3/p+2/t15-,18-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)C2=CN(N=N2)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H28N4O3Si/c1-10(23-24(6,7)16(2,3)4)14-11(17-15(14)22)8-13(21)12-9-20(5)19-18-12/h9-11,14H,8H2,1-7H3,(H,17,22)/t10-,11-,14-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)OCC=C)C3=CSC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C25H26N4O7S/c1-5-12-35-23(31)20-16(17-13-37-21(26-17)14-6-8-15(9-7-14)29(33)34)10-11-18-19(22(30)28(18)20)27-24(32)36-25(2,3)4/h5-9,13,18-19H,1,10-12H2,2-4H3,(H,27,32)/t18-,19+/m1/s1
SMILES: C1[C@@H]([C@H]1C(CC2C3=CC=CC=C3SC4=CC=CC=C24)(C(=O)O)N)C(=O)O
InChI: InChI=1S/C20H19NO4S/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20?/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)OCCCCCN([C@@H](C[C@]2(C)O)C)S(=O)(=O)C3=CC=CC=C3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)O)N(C)C
InChI: InChI=1S/C39H66N2O12S/c1-24-22-38(6,45)35(53-37-32(42)30(40(8)9)21-25(2)50-37)26(3)33(52-31-23-39(7,48-10)34(43)28(5)51-31)27(4)36(44)49-20-16-12-15-19-41(24)54(46,47)29-17-13-11-14-18-29/h11,13-14,17-18,24-28,30-35,37,42-43,45H,12,15-16,19-23H2,1-10H3/t24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-,37+,38+,39-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=C(N(N=C2C)C3=CC=CC=C3)Cl
InChI: InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,2,4H2,1,3H3,(H2,20,21,25)/t14-,15+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H](O[C@H]2C[C@@H]3[C@H](C[C@@H]([C@H]([C@@H](O3)C/C=C\CCC(=O)O)O)C)O[C@@]2(C1)C)CCOC(=O)C(C)(C)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C46H68O9Si/c1-31-27-39(55-56(45(6,7)8,33-19-13-10-14-20-33)34-21-15-11-16-22-34)35(25-26-51-43(50)44(3,4)5)53-40-29-37-38(54-46(40,9)30-31)28-32(2)42(49)36(52-37)23-17-12-18-24-41(47)48/h10-17,19-22,31-32,35-40,42,49H,18,23-30H2,1-9H3,(H,47,48)/b17-12-/t31-,32+,35-,36+,37-,38+,39+,40+,42-,46-/m1/s1
SMILES: C[N+]12CCCN3[C@H]1[C@@H]4N(CCC[N+]4(CC3)CC5=CC=CC=C5)CC2.[I-].[I-]
InChI: InChI=1S/C20H32N4.2HI/c1-23-13-5-9-21-12-16-24(17-18-7-3-2-4-8-18)14-6-10-22(11-15-23)20(24)19(21)23;;/h2-4,7-8,19-20H,5-6,9-17H2,1H3;2*1H/q+2;;/p-2/t19-,20-,23?,24?;;/m1../s1
SMILES: CC1=CC(=O)[C@@H]2C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)C)C5=CC=CC(=C5O)CC=C)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl
InChI: InChI=1S/C34H31ClF3N3O5/c1-5-7-17-8-6-9-20(28(17)43)27-18-10-11-19-26(21(18)15-22-24(42)14-16(2)29(44)33(22,27)3)32(46)41(31(19)45)40(4)30-23(35)12-13-25(39-30)34(36,37)38/h5-6,8-10,12-14,19,21-22,26-27,43H,1,7,11,15H2,2-4H3/t19-,21+,22-,26-,27+,33+/m0/s1
SMILES: C[C@]12CCC[C@@H]([C@@H]1CCC2=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-13-8-7-11-16(4)12(13)9-10-14(16)17/h12-13H,7-11H2,1-6H3/t12-,13-,16-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N4C=NC5=C(C4=O)N=CN5[C@H]6C[C@@H]([C@H](O6)CO)O)CO)O
InChI: InChI=1S/C20H22N8O7/c29-3-11-9(31)1-13(34-11)26-6-23-15-17(26)21-5-22-18(15)28-8-25-19-16(20(28)33)24-7-27(19)14-2-10(32)12(4-30)35-14/h5-14,29-32H,1-4H2/t9-,10-,11+,12+,13+,14+/m0/s1
SMILES: CCC1=NC2=CC=CC=C2C(=C1C(=O)OC)NCC3=CC=C(C=C3)CC[C@H]4CC[C@]5(C(C4)C[C@H](C6C5C[C@@H]([C@]7(C6CC[C@@H]7[C@H](C)CCC(=O)O)C)O)O)C
InChI: InChI=1S/C46H62N2O6/c1-6-36-42(44(53)54-5)43(32-9-7-8-10-37(32)48-36)47-26-30-16-13-28(14-17-30)12-15-29-21-22-45(3)31(23-29)24-38(49)41-34-19-18-33(27(2)11-20-40(51)52)46(34,4)39(50)25-35(41)45/h7-10,13-14,16-17,27,29,31,33-35,38-39,41,49-50H,6,11-12,15,18-26H2,1-5H3,(H,47,48)(H,51,52)/t27-,29+,31?,33-,34?,35?,38-,39+,41?,45+,46-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@](N(C(=O)O2)CC3=CC=C(C=C3)F)(C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C24H22FNO5/c1-29-20-11-5-17(6-12-20)22-24(28,18-7-13-21(30-2)14-8-18)26(23(27)31-22)15-16-3-9-19(25)10-4-16/h3-14,22,28H,15H2,1-2H3/t22-,24-/m0/s1
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=CC=CC=C6NC5=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C43H40N6O6/c50-26-27-54-31-18-16-30(17-19-31)38-43(32-14-7-8-15-33(32)46-41(43)53)34(39(51)47-22-24-48(25-23-47)42-44-20-9-21-45-42)36-40(52)55-37(29-12-5-2-6-13-29)35(49(36)38)28-10-3-1-4-11-28/h1-21,34-38,50H,22-27H2,(H,46,53)/t34-,35-,36-,37+,38+,43-/m1/s1
SMILES: CCN(CC)C(=O)C(=O)[C@]12[C@H](CC(=O)C[C@H]1OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C26H30N2O6S/c1-5-27(6-2)25(31)24(30)26-20-9-7-8-10-21(20)28(22(26)15-18(29)16-23(26)34-4)35(32,33)19-13-11-17(3)12-14-19/h7-14,22-23H,5-6,15-16H2,1-4H3/t22-,23+,26+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C30H46O8/c1-16(7-10-27(34)35)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)12-11-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32/h16,20-26,28H,7-15H2,1-6H3,(H,34,35)/t16-,20?,21-,22-,23+,24+,25-,26+,28+,29+,30-/m1/s1
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)O3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O)O)O
InChI: InChI=1S/C33H44O20/c1-4-12-14(6-20(35)36)16(28(43)45-3)9-47-30(12)53-33-27(42)25(40)23(38)19(50-33)11-46-21-7-15-13(5-2)31(48-10-17(15)29(44)51-21)52-32-26(41)24(39)22(37)18(8-34)49-32/h4-5,9-10,12-15,18-19,21-27,30-34,37-42H,1-2,6-8,11H2,3H3,(H,35,36)/t12-,13-,14+,15+,18-,19-,21-,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1
SMILES: CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C=O)C
InChI: InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-14,18H,5-11H2,1-4H3/t18-,19-,20+/m0/s1
SMILES: CC(=O)O[C@H]1C=C2C[C@@]34C(=O)N5[C@@H]6[C@@H]7[C@@H](O7)[C@H](C=C6C[C@]5(C(=O)N3[C@@H]2[C@@H]8[C@H]1O8)SS4)OC(=O)C
InChI: InChI=1S/C22H20N2O8S2/c1-7(25)29-11-3-9-5-21-19(27)24-14-10(4-12(30-8(2)26)16-18(14)32-16)6-22(24,34-33-21)20(28)23(21)13(9)17-15(11)31-17/h3-4,11-18H,5-6H2,1-2H3/t11-,12-,13-,14-,15-,16-,17+,18+,21+,22+/m0/s1
SMILES: C1CCN(CC1)C2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C15H22N6O4/c16-12-9-13(18-7-17-12)21(14-11(24)10(23)8(6-22)25-14)15(19-9)20-4-2-1-3-5-20/h7-8,10-11,14,22-24H,1-6H2,(H2,16,17,18)/t8-,10+,11-,14-/m1/s1
SMILES: CCOC(=O)OC(=O)OC(=O)[C@@H]1[C@H](OC2=CC=CC=C2O1)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H18O8/c1-3-24-19(22)28-20(23)27-18(21)17-16(13-10-8-12(2)9-11-13)25-14-6-4-5-7-15(14)26-17/h4-11,16-17H,3H2,1-2H3/t16-,17+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)NC(=S)S3)C(=O)[O-]
InChI: InChI=1S/C15H16N2O3S2/c18-13(9-3-1-2-4-10(9)14(19)20)16-8-5-6-11-12(7-8)22-15(21)17-11/h5-7,9-10H,1-4H2,(H,16,18)(H,17,21)(H,19,20)/p-1/t9-,10-/m0/s1
SMILES: CONC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C11H16N6O4/c1-20-16-9-8-10(15-11(12)14-9)17(4-13-8)7-2-5(19)6(3-18)21-7/h4-7,18-19H,2-3H2,1H3,(H3,12,14,15,16)/t5-,6+,7+/m0/s1
SMILES: CCS[C@@H]1[C@H]([C@@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H20O7S/c1-5-21-13-12(20-9(4)16)11(19-8(3)15)10(6-17-13)18-7(2)14/h10-13H,5-6H2,1-4H3/t10-,11-,12+,13-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](CN1C(=O)OCC2=CC=CC=C2)O)O)CO
InChI: InChI=1S/C14H19NO5/c16-8-11-6-15(7-12(17)13(11)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-13,16-18H,6-9H2/t11-,12-,13-/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]2CN([C@H]([C@@H]2N1C)C)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C17H24N2O3S/c1-11-5-7-14(8-6-11)23(21,22)19-10-15-16(20)9-12(2)18(4)17(15)13(19)3/h5-8,12-13,15,17H,9-10H2,1-4H3/t12-,13-,15-,17-/m0/s1
SMILES: CC[C@@H]1C2(C([C@H](C(=O)[C@@H](C[C@]3([C@@H](C[C@H]([C@H](C(=O)O1)C)OC/C(=N\OCC4=CN=C(C=C4)N5C=CC=N5)/CO3)OC6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)C)C)C)N=C(O2)N)C
InChI: InChI=1S/C41H61N7O10/c1-10-31-41(7)36(45-39(42)58-41)26(5)34(49)23(2)18-40(6)32(57-38-35(50)29(47(8)9)16-24(3)55-38)17-30(25(4)37(51)56-31)52-21-28(22-53-40)46-54-20-27-12-13-33(43-19-27)48-15-11-14-44-48/h11-15,19,23-26,29-32,35-36,38,50H,10,16-18,20-22H2,1-9H3,(H2,42,45)/b46-28+/t23-,24-,25-,26+,29+,30-,31-,32-,35-,36?,38?,40+,41?/m1/s1
SMILES: C1CC2=NC1=C(C3=CC=C(N3)C(=C4[C@@H]([C@@H](C(=N4)C(=C5C=CC(=C2C6=CC=C(C=C6)S(=O)(=O)O)N5)C7=CC=C(C=C7)S(=O)(=O)O)O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O
InChI: InChI=1S/C44H34N4O14S4/c49-43-41-39(25-5-13-29(14-6-25)65(57,58)59)35-21-19-33(46-35)37(23-1-9-27(10-2-23)63(51,52)53)31-17-18-32(45-31)38(24-3-11-28(12-4-24)64(54,55)56)34-20-22-36(47-34)40(42(48-41)44(43)50)26-7-15-30(16-8-26)66(60,61)62/h1-16,19-22,43-44,46-47,49-50H,17-18H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t43-,44+
SMILES: CCCNC(=O)[C@@H]([C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O)O
InChI: InChI=1S/C13H18FN3O7/c1-2-3-15-11(22)8(20)9-6(18)7(19)12(24-9)17-4-5(14)10(21)16-13(17)23/h4,6-9,12,18-20H,2-3H2,1H3,(H,15,22)(H,16,21,23)/t6-,7+,8-,9+,12-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)OC
InChI: InChI=1S/C18H24ClNO4/c1-11-5-4-6-15(12(11)2)20-17(21)10-24-18(22)14-9-13(19)7-8-16(14)23-3/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,20,21)/t11-,12+,15-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)C2(CCCCC2)N(C)C(=O)[C@H]3[C@@H](C3(C)C)C=C(C)C
InChI: InChI=1S/C25H36N2O2/c1-17(2)16-19-21(24(19,4)5)22(28)27(6)25(14-10-7-11-15-25)23(29)26-20-13-9-8-12-18(20)3/h8-9,12-13,16,19,21H,7,10-11,14-15H2,1-6H3,(H,26,29)/t19-,21+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](C([C@H]([C@H](N2)C3=CC=C(C=C3)C)[N+](=O)[O-])(C)C)[N+](=O)[O-]
InChI: InChI=1S/C21H25N3O4/c1-13-5-9-15(10-6-13)17-19(23(25)26)21(3,4)20(24(27)28)18(22-17)16-11-7-14(2)8-12-16/h5-12,17-20,22H,1-4H3/t17-,18+,19+,20-
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5C(=O)O)OC)O4)O
InChI: InChI=1S/C19H21NO6/c1-20-6-5-18-14-9-8-13(20)19(18,24)4-3-11(21)16(18)26-15(14)12(25-2)7-10(9)17(22)23/h7,13,16,24H,3-6,8H2,1-2H3,(H,22,23)/t13-,16+,18+,19-/m1/s1
SMILES: CCCCCC[C@@H]1C[C@@H]([C@@H]2CCCC[C@@]23N1[C@@H](CC3)COCC4=CC=CC=C4)O
InChI: InChI=1S/C26H41NO2/c1-2-3-4-8-13-22-18-25(28)24-14-9-10-16-26(24)17-15-23(27(22)26)20-29-19-21-11-6-5-7-12-21/h5-7,11-12,22-25,28H,2-4,8-10,13-20H2,1H3/t22-,23+,24+,25+,26+/m1/s1
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)C(C)C
InChI: InChI=1S/C46H47N5O9S/c1-27(2)33-22-34(28(3)4)40(35(23-33)29(5)6)61(55,56)60-43-39-41(48-46(50-43)49-42(52)30-16-10-7-11-17-30)51(26-47-39)38-24-36(59-45(54)32-20-14-9-15-21-32)37(58-38)25-57-44(53)31-18-12-8-13-19-31/h7-23,26-29,36-38H,24-25H2,1-6H3,(H,48,49,50,52)/t36-,37+,38+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)N(CC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C23H18BrClN2O4/c24-15-11-9-14(10-12-15)20(28)13-26(21(29)18-7-3-4-8-19(18)25)27-22(30)16-5-1-2-6-17(16)23(27)31/h1-4,7-12,16-17H,5-6,13H2/t16-,17-/m0/s1
SMILES: C1[C@@H]2C(=O)[C@@]3([C@@H](O3)[C@H](O1)O2)[C@@H]([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)F
InChI: InChI=1S/C41H41FO9/c42-37(41-38(43)32-26-48-40(50-32)39(41)51-41)36-35(47-24-30-19-11-4-12-20-30)34(46-23-29-17-9-3-10-18-29)33(45-22-28-15-7-2-8-16-28)31(49-36)25-44-21-27-13-5-1-6-14-27/h1-20,31-37,39-40H,21-26H2/t31-,32-,33-,34+,35-,36-,37-,39+,40-,41-/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1)[C@@H](C)C2=CC=CC=C2)NC(=O)[C@@H]3CC(=C(C[C@@H]3C(=O)O)C)C
InChI: InChI=1S/C25H29NO5S/c1-5-31-25(30)20-13-21(16(4)17-9-7-6-8-10-17)32-23(20)26-22(27)18-11-14(2)15(3)12-19(18)24(28)29/h6-10,13,16,18-19H,5,11-12H2,1-4H3,(H,26,27)(H,28,29)/t16-,18+,19-/m0/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C18H21N3O5/c22-17(15-3-1-2-4-16(15)18(23)24)20-11-9-19(10-12-20)13-5-7-14(8-6-13)21(25)26/h1-2,5-8,15-16H,3-4,9-12H2,(H,23,24)/p-1/t15-,16+/m1/s1
SMILES: C[C@@]12CCN([C@@]1(NC3=CC=CC=C23)C)C(=S)NC4=CC=CC=C4
InChI: InChI=1S/C19H21N3S/c1-18-12-13-22(17(23)20-14-8-4-3-5-9-14)19(18,2)21-16-11-7-6-10-15(16)18/h3-11,21H,12-13H2,1-2H3,(H,20,23)/t18-,19-/m0/s1
SMILES: C/C(=N\NC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC=C(C=C3)NC(=O)C4CC4
InChI: InChI=1S/C22H23N3O2/c1-14(15-9-11-18(12-10-15)23-21(26)17-7-8-17)24-25-22(27)20-13-19(20)16-5-3-2-4-6-16/h2-6,9-12,17,19-20H,7-8,13H2,1H3,(H,23,26)(H,25,27)/b24-14+/t19-,20+/m1/s1
SMILES: C1CN(CCC1C(=O)N)C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C14H18N2O5/c15-12(17)7-3-5-16(6-4-7)13(18)10-8-1-2-9(21-8)11(10)14(19)20/h1-2,7-11H,3-6H2,(H2,15,17)(H,19,20)/p-1/t8-,9+,10+,11+/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC6CCCC6)NC(=O)OC7CCC7
InChI: InChI=1S/C40H50N6O8S/c1-6-22-19-40(22,36(49)50)45-34(47)31-17-26(20-46(31)35(48)33(39(2,3)4)44-38(51)54-24-12-9-13-24)53-32-18-29(42-28-16-25(52-5)14-15-27(28)32)30-21-55-37(43-30)41-23-10-7-8-11-23/h6,14-16,18,21-24,26,31,33H,1,7-13,17,19-20H2,2-5H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/t22-,26-,31?,33-,40-/m1/s1
SMILES: COC1=CC=CC(=C1[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C(=O)N(C3=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9)O
InChI: InChI=1S/C47H36N2O8/c1-57-37-14-8-13-36(50)41(37)39-32-23-24-33-38(46(55)48(44(33)53)30-19-15-28(16-20-30)42(51)26-9-4-2-5-10-26)34(32)25-35-40(39)47(56)49(45(35)54)31-21-17-29(18-22-31)43(52)27-11-6-3-7-12-27/h2-23,33-35,38-40,50H,24-25H2,1H3/t33-,34+,35+,38-,39-,40+/m0/s1
SMILES: CCN1CC2(C=CC(C34C2C(C(C31)[C@]5(C[C@@H]([C@]6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC
InChI: InChI=1S/C35H47NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-14,22-30,39H,8,15-18H2,1-7H3/t22?,23?,24-,25?,26?,27?,28?,29?,30?,32?,33-,34+,35?/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=C(C=C(C=C6OC)OC)O)C)C7=CC=CC=C7)(O)O
InChI: InChI=1S/C35H33BN2O9/c1-35-25(32(41)38(34(35)43)19-9-5-4-6-10-19)17-24-22(30(35)29-26(39)15-21(46-2)16-27(29)47-3)12-13-23-28(24)33(42)37(31(23)40)20-11-7-8-18(14-20)36(44)45/h4-12,14-16,23-25,28,30,39,44-45H,13,17H2,1-3H3/t23-,24+,25-,28-,30+,35+/m0/s1
SMILES: C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C18H28O6Si/c1-25(2,3)10-9-21-18-15(20)14(19)16-13(23-18)11-22-17(24-16)12-7-5-4-6-8-12/h4-8,13-20H,9-11H2,1-3H3/t13-,14-,15-,16-,17-,18-/m1/s1
SMILES: C1CCC2(CC1)O[C@H]3[C@@H](O2)[C@H](O[C@H]4[C@@H]3OC5(O4)CCCCC5)C(=O)[O-]
InChI: InChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)/p-1/t11-,12+,13+,14-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C51H40N4O7S/c1-60-36-23-18-31(19-24-36)16-17-32-20-27-39-38(30-32)51(49(59)52-39)42(47(57)54-50-53-40-14-8-9-15-41(40)63-50)44-48(58)62-45(34-12-6-3-7-13-34)43(33-10-4-2-5-11-33)55(44)46(51)35-21-25-37(26-22-35)61-29-28-56/h2-15,18-27,30,42-46,56H,28-29H2,1H3,(H,52,59)(H,53,54,57)/t42-,43-,44-,45+,46+,51-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H](O[C@H]([C@@H]2O)OC)COCC3=CC=CC=C3
InChI: InChI=1S/C21H26O7S/c1-15-8-10-18(11-9-15)29(23,24)28-19-12-17(27-21(25-2)20(19)22)14-26-13-16-6-4-3-5-7-16/h3-11,17,19-22H,12-14H2,1-2H3/t17-,19-,20+,21+/m0/s1
SMILES: CCC(CC)OC1=C(C=C(C=C1)OC)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC)N)O
InChI: InChI=1S/C24H33N7O5/c1-5-14(6-2)35-16-8-7-15(34-4)9-13(16)10-27-21-18-22(29-11-28-21)31(12-30-18)24-19(32)17(25)20(36-24)23(33)26-3/h7-9,11-12,14,17,19-20,24,32H,5-6,10,25H2,1-4H3,(H,26,33)(H,27,28,29)/t17-,19+,20-,24+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(N=C(S2)C)C3=CC=CC=C3
InChI: InChI=1S/C21H26N2O3S/c1-13-8-7-11-17(14(13)2)23-18(24)12-26-21(25)20-19(22-15(3)27-20)16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,23,24)/t13-,14-,17-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)C=O)C(=O)NCCO)C(C)C
InChI: InChI=1S/C34H48N2O9/c1-19(2)23-8-7-20(3)12-27(23)44-18-29(39)36(16-22-6-5-11-43-22)26-15-25(34(41)35-9-10-37)30-24-13-21(17-38)14-28(42-4)32(24)45-33(30)31(26)40/h13-15,17,19-20,22-23,26-27,30-31,33,37,40H,5-12,16,18H2,1-4H3,(H,35,41)/t20-,22-,23+,26+,27-,30-,31-,33-/m0/s1
SMILES: C[C@H](CC1=CC=CC=C1)N(C)C(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C
InChI: InChI=1S/C24H31N3O2/c1-17(15-18-9-7-6-8-10-18)26(4)23(28)29-19-11-12-21-20(16-19)24(2)13-14-25(3)22(24)27(21)5/h6-12,16-17,22H,13-15H2,1-5H3/t17-,22-,24+/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC9=CC(=CC=C9)C(=O)NCCO)C
InChI: InChI=1S/C48H47N3O12/c1-46(2)28-58-44(56)41(46)60-36(53)21-20-30-13-9-10-14-32(30)27-51-39-43(55)59-35-25-47(39,45(57)50-26-29-12-11-15-31(24-29)42(54)49-22-23-52)40(63-51)38-37(35)61-48(62-38,33-16-5-3-6-17-33)34-18-7-4-8-19-34/h3-21,24,35,37-41,52H,22-23,25-28H2,1-2H3,(H,49,54)(H,50,57)/t35-,37+,38+,39+,40-,41+,47+/m1/s1
SMILES: C[C@@H]1[C@H](OC(=O)[C@@]2([C@H]1OC(=O)N[C@@H]2/C=C(\C)/CO)C)C[C@H]3COC(O3)(C)C
InChI: InChI=1S/C19H29NO7/c1-10(8-21)6-14-19(5)15(26-17(23)20-14)11(2)13(25-16(19)22)7-12-9-24-18(3,4)27-12/h6,11-15,21H,7-9H2,1-5H3,(H,20,23)/b10-6+/t11-,12+,13-,14-,15+,19+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
InChI: InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21?,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@]3(C2C3)CO)N=[N+]=[N-]
InChI: InChI=1S/C12H15N5O3/c1-6-4-17(11(20)14-10(6)19)8-2-9(15-16-13)12(5-18)3-7(8)12/h4,7-9,18H,2-3,5H2,1H3,(H,14,19,20)/t7?,8-,9-,12+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@]1(C[C@@H]([C@@H]3[C@H]2CCC4=CC(=O)CC[C@@]34C)O)C
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C3C[C@H]([C@@H]3S[C@H]4N2C(=O)[C@H]4NC(=O)C5=CC=CC=C5)SC6=CC=CC=C6
InChI: InChI=1S/C30H26N2O5S2/c1-36-20-14-12-18(13-15-20)17-37-30(35)25-22-16-23(38-21-10-6-3-7-11-21)26(22)39-29-24(28(34)32(25)29)31-27(33)19-8-4-2-5-9-19/h2-15,23-24,26,29H,16-17H2,1H3,(H,31,33)/t23-,24-,26-,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NCC(=O)NC2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C19H29N3OS/c1-12-9-14(3)18(15(4)10-12)22-17(23)11-20-19(24)21-16-8-6-5-7-13(16)2/h9-10,13,16H,5-8,11H2,1-4H3,(H,22,23)(H2,20,21,24)/t13-,16+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C)[C@@H](C#CC(C)(C)OC5CCCCO5)O
InChI: InChI=1S/C36H54O7/c1-22(31(39)16-17-34(4,5)43-33-10-8-9-19-40-33)28-13-14-29-27-12-11-25-20-26(41-23(2)37)21-32(42-24(3)38)36(25,7)30(27)15-18-35(28,29)6/h11,22,26-33,39H,8-10,12-15,18-21H2,1-7H3/t22-,26+,27-,28+,29-,30-,31+,32-,33?,35+,36-/m0/s1
SMILES: COC1=C(C\2=C3[C@@H]([C@@H]4[C@H](C[C@H](C/C=C2\O4)O)O)NCCC3=C1)OC
InChI: InChI=1S/C18H23NO5/c1-22-13-7-9-5-6-19-16-14(9)15(18(13)23-2)12-4-3-10(20)8-11(21)17(16)24-12/h4,7,10-11,16-17,19-21H,3,5-6,8H2,1-2H3/b12-4-/t10-,11-,16-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CSC3=CC=CC(=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C24H23NO2S/c1-17-11-13-19(14-12-17)25-23(18-7-4-3-5-8-18)22(24(25)26)16-28-21-10-6-9-20(15-21)27-2/h3-15,22-23H,16H2,1-2H3/t22-,23-/m1/s1
SMILES: CC(=O)[C@@H]([C@H](OCC1=CC=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C25H31BrO12/c1-13(27)20(26)24(33-11-18-9-7-6-8-10-18)38-25-23(36-17(5)31)22(35-16(4)30)21(34-15(3)29)19(37-25)12-32-14(2)28/h6-10,19-25H,11-12H2,1-5H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1
SMILES: [2H]C1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H22O8/c1-11(19)22-10-16-18(24-13(3)21)15(23-12(2)20)9-17(26-16)25-14-7-5-4-6-8-14/h4-8,15-18H,9-10H2,1-3H3/t15-,16-,17+,18-/m1/s1/i9D/t9?,15-,16-,17+,18-
SMILES: CCN1C(=CC(=C1C)C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C21H26N2O5/c1-4-22-13(2)11-17(14(22)3)18(24)12-28-19(25)9-10-23-20(26)15-7-5-6-8-16(15)21(23)27/h5-6,11,15-16H,4,7-10,12H2,1-3H3/t15-,16-/m0/s1