EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)CC4=C(C=C(C=C4)OC)OC)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(S6)C)C
InChI: InChI=1S/C38H45NO6S/c1-24-7-6-17-37(3)32(16-18-38(37)23-39(36(42)45-38)22-27-11-13-29(43-4)21-33(27)44-5)30-14-10-26(19-28(40)12-8-24)20-31(30)35(41)34-15-9-25(2)46-34/h7,9-11,13-15,20-21,28,32,40H,6,8,12,16-19,22-23H2,1-5H3/t28-,32-,37-,38+/m0/s1
SMILES: C1[C@@H]([C@@H](O[C@H]([C@H]1O)O)N2C(=O)NC(=O)C=N2)O
InChI: InChI=1S/C8H11N3O6/c12-3-1-4(13)7(15)17-6(3)11-8(16)10-5(14)2-9-11/h2-4,6-7,12-13,15H,1H2,(H,10,14,16)/t3-,4-,6+,7+/m0/s1
SMILES: C[N+]12CCCC[C@H]1[C@@H](CCC2)COC(=O)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C20H30NO4/c1-21-11-5-4-8-18(21)15(7-6-12-21)14-25-20(22)17-10-9-16(23-2)13-19(17)24-3/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3/q+1/t15-,18-,21?/m0/s1
SMILES: CC(=O)OC[C@H]1C[C@H]([C@@H](C1)OC(=O)C)N2C(=C(N=N2)C(=O)N)C#CC3=CC=CC=C3
InChI: InChI=1S/C21H22N4O5/c1-13(26)29-12-16-10-18(19(11-16)30-14(2)27)25-17(20(21(22)28)23-24-25)9-8-15-6-4-3-5-7-15/h3-7,16,18-19H,10-12H2,1-2H3,(H2,22,28)/t16-,18+,19+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OCC(C)(C)C)SN[C@@H](CC=C)C3=CC=CC=C3
InChI: InChI=1S/C25H39NOS/c1-8-12-20(18-13-10-9-11-14-18)26-28-21-19-15-16-25(7,24(19,5)6)22(21)27-17-23(2,3)4/h8-11,13-14,19-22,26H,1,12,15-17H2,2-7H3/t19-,20+,21-,22-,25+/m1/s1
SMILES: CCOC1=CC=CC=C1NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C19H21NO6/c1-2-24-13-6-4-3-5-12(13)20-15(21)9-25-18(22)16-10-7-11-14(8-10)26-19(23)17(11)16/h3-6,10-11,14,16-17H,2,7-9H2,1H3,(H,20,21)/t10-,11+,14-,16-,17+/m1/s1
SMILES: CCCCC[C@H]([C@@H]1[C@@H](CO[C@@H](O1)C2=CC=CC=C2)OS(=O)(=O)C)O
InChI: InChI=1S/C17H26O6S/c1-3-4-6-11-14(18)16-15(23-24(2,19)20)12-21-17(22-16)13-9-7-5-8-10-13/h5,7-10,14-18H,3-4,6,11-12H2,1-2H3/t14-,15-,16-,17+/m1/s1
SMILES: CN1C(=O)C2=C(N=C1N[C@@H]3CCC[C@H]3O)N(N=C2CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C25H27N5O2/c1-29-24(32)22-20(15-17-9-4-2-5-10-17)28-30(16-18-11-6-3-7-12-18)23(22)27-25(29)26-19-13-8-14-21(19)31/h2-7,9-12,19,21,31H,8,13-16H2,1H3,(H,26,27)/t19-,21-/m1/s1
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)OC)O)O)C)C
InChI: InChI=1S/C31H52O6/c1-18(8-11-22(32)26(2,3)36)19-12-13-28(5)20-9-10-21-29(6,25(35)37-7)23(33)16-24(34)31(21)17-30(20,31)15-14-27(19,28)4/h18-24,32-34,36H,8-17H2,1-7H3/t18-,19-,20+,21+,22-,23+,24+,27-,28+,29+,30+,31-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)CCC(=O)[O-]
InChI: InChI=1S/C21H24N4O6/c1-29-13-4-2-12(3-5-13)14-8-9-22-21(24-14)25-16-11-31-19-15(10-30-20(16)19)23-17(26)6-7-18(27)28/h2-5,8-9,15-16,19-20H,6-7,10-11H2,1H3,(H,23,26)(H,27,28)(H,22,24,25)/p-1/t15-,16-,19+,20+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3F)Br)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H15BrFNO2/c20-12-8-15-13-2-1-3-14(13)17(22-18(15)16(21)9-12)10-4-6-11(7-5-10)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/p-1/t13-,14-,17+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H16N2O4/c25-21(16-9-5-2-6-10-16)20-19(15-7-3-1-4-8-15)23(20)22(26)17-11-13-18(14-12-17)24(27)28/h1-14,19-20H/t19-,20+,23?/m1/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F)C(=O)O)C
InChI: InChI=1S/C20H21FN2O3S/c1-10-8-15(16(19(25)26)9-11(10)2)18(24)23-20-22-17(12(3)27-20)13-4-6-14(21)7-5-13/h4-7,15-16H,8-9H2,1-3H3,(H,25,26)(H,22,23,24)/t15-,16+/m1/s1
SMILES: CCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)N5CC[C@@H](C5)N(C)C)N[C@@H](CC6=CC=CC=C6)CO)O)O
InChI: InChI=1S/C27H37N11O4/c1-4-38-33-24(32-34-38)22-20(40)21(41)26(42-22)37-15-28-19-23(29-17(14-39)12-16-8-6-5-7-9-16)30-27(31-25(19)37)36-11-10-18(13-36)35(2)3/h5-9,15,17-18,20-22,26,39-41H,4,10-14H2,1-3H3,(H,29,30,31)/t17-,18-,20-,21+,22-,26+/m0/s1
SMILES: CC(C)CC(=O)O[C@@H]1[C@@H](C2=C3C(=C(C=C2OC1(C)C)OC)C(=O)C4=CC5=CC=CC=C5C=C4N3C)O
InChI: InChI=1S/C29H31NO6/c1-15(2)11-22(31)35-28-27(33)24-21(36-29(28,3)4)14-20(34-6)23-25(24)30(5)19-13-17-10-8-7-9-16(17)12-18(19)26(23)32/h7-10,12-15,27-28,33H,11H2,1-6H3/t27-,28-/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)CN3CC[C@H]4CCCC[C@@H]4C3)OC
InChI: InChI=1S/C21H28N2O2S/c1-24-19-8-7-16(11-20(19)25-2)21-22-18(14-26-21)13-23-10-9-15-5-3-4-6-17(15)12-23/h7-8,11,14-15,17H,3-6,9-10,12-13H2,1-2H3/t15-,17-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@]3(C2CC[C@]4(C3CC[C@@]4(C(=O)CO)O)C)C=O
InChI: InChI=1S/C22H30O5/c1-19-7-4-15(25)11-14(19)3-9-21(13-24)16(19)5-8-20(2)17(21)6-10-22(20,27)18(26)12-23/h11,13,16-17,23,27H,3-10,12H2,1-2H3/t16?,17?,19-,20-,21-,22-/m0/s1
SMILES: CCOC(=O)C[C@]12[C@@H]3CCN([C@H]1[C@](C[C@H]3C(=O)N2CC4=CC=C(C=C4)OC)(CO)COC(=O)CP(=O)(OCC)OCC)C(=O)OC(C)(C)C
InChI: InChI=1S/C34H51N2O12P/c1-8-44-27(38)18-34-26-15-16-35(31(41)48-32(4,5)6)30(34)33(21-37,22-45-28(39)20-49(42,46-9-2)47-10-3)17-25(26)29(40)36(34)19-23-11-13-24(43-7)14-12-23/h11-14,25-26,30,37H,8-10,15-22H2,1-7H3/t25-,26-,30+,33-,34+/m1/s1
SMILES: CC1=CC=C(C=C1)NCCNC2=CC=C(C=C2)C.C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C16H20N2.C14H13N5O5S2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h3-10,17-18H,11-12H2,1-2H3;2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b;18-7-/t;8-,12-/m.1/s1
SMILES: C[C@H]([C@H](CCCCCCCCCCCCC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O
InChI: InChI=1S/C25H48O8/c1-17(2)14-12-10-8-6-4-5-7-9-11-13-15-19(18(3)24(30)31)32-25-23(29)22(28)21(27)20(16-26)33-25/h17-23,25-29H,4-16H2,1-3H3,(H,30,31)/t18-,19+,20-,21-,22+,23-,25-/m1/s1
SMILES: CN1CCC(O1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C27H30N6O7S2/c1-32-11-10-18(40-32)9-6-16-13-41-25-21(30-23(34)20(31-38-3)19-14-42-27(28)29-19)24(35)33(25)22(16)26(36)39-12-15-4-7-17(37-2)8-5-15/h4-9,14,18,21,25H,10-13H2,1-3H3,(H2,28,29)(H,30,34)/b9-6+,31-20-/t18?,21-,25-/m1/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC=C3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C[C@@H](C5)O)C)C)O)O)C
InChI: InChI=1S/C28H38O6/c1-15-12-23(34-24(31)16(15)2)27(5,32)28(33)11-9-20-19-7-6-17-13-18(29)14-22(30)26(17,4)21(19)8-10-25(20,28)3/h6,9,18-19,21,23,29,32-33H,7-8,10-14H2,1-5H3/t18-,19+,21+,23-,25+,26+,27+,28+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC(=N5)C)CCCCO)CCCCO)OCC=C)N(C)C(=O)CC6=CC(=CC=C6)OC
InChI: InChI=1S/C46H59N3O8/c1-6-24-55-46-42(49(4)43(52)26-32-15-13-18-35(25-32)53-5)29-40(48-56-7-2)38-27-33(16-8-10-22-50)37(19-9-11-23-51)44(45(38)46)39-28-36(20-21-41(39)57-46)54-30-34-17-12-14-31(3)47-34/h6,12-15,17-18,20-21,25,27-28,33,37,42,44-45,50-51H,1,7-11,16,19,22-24,26,29-30H2,2-5H3/t33-,37+,42-,44+,45+,46+/m0/s1
SMILES: C1C[C@H]([C@@H](C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N
InChI: InChI=1S/C29H31N3O4S/c30-37(35,36)27-11-4-3-8-24(27)22-14-12-20(13-15-22)18-31-28(33)25-9-5-10-26(25)29(34)32-17-16-21-6-1-2-7-23(21)19-32/h1-4,6-8,11-15,25-26H,5,9-10,16-19H2,(H,31,33)(H2,30,35,36)/t25-,26-/m1/s1
SMILES: [C@@H]12[C@@]3([C@H](O[C@@]1(C(OC(O2)(C(F)(F)F)C(F)(F)F)(F)F)F)OC(O3)(C(F)(F)F)C(F)(F)F)F
InChI: InChI=1S/C11H2F16O5/c12-3-1-4(13,11(26,27)32-5(28-1,7(14,15)16)8(17,18)19)29-2(3)30-6(31-3,9(20,21)22)10(23,24)25/h1-2H/t1-,2-,3-,4+/m1/s1
SMILES: CCOC(=O)C[C@@H](C1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC)N(C3CC3)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C24H34N2O7/c1-5-30-18(27)13-17(19-20(29-4)21-22(31-19)33-24(2,3)32-21)26(16-11-12-16)23(28)25-14-15-9-7-6-8-10-15/h6-10,16-17,19-22H,5,11-14H2,1-4H3,(H,25,28)/t17-,19?,20-,21+,22+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](N1C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H16FNO2/c1-2-21-17(20)16-15(12-8-10-13(18)11-9-12)19(16)14-6-4-3-5-7-14/h3-11,15-16H,2H2,1H3/t15-,16-,19?/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=CC(=C6)Cl)O)C)C7=CC(=C(C=C7)F)Cl)(O)O
InChI: InChI=1S/C33H26BCl2FN2O7/c1-33-23(30(42)39(32(33)44)18-6-9-25(37)24(36)13-18)14-21-19(28(33)22-12-16(35)5-10-26(22)40)7-8-20-27(21)31(43)38(29(20)41)17-4-2-3-15(11-17)34(45)46/h2-7,9-13,20-21,23,27-28,40,45-46H,8,14H2,1H3/t20-,21+,23-,27-,28+,33+/m0/s1
SMILES: C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)OCC3=CC=CC=C3C4=CC=CC=C4)N
InChI: InChI=1S/C21H21NO4/c22-21(11-10-16-17(18(16)21)19(23)24)20(25)26-12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-9,16-18H,10-12,22H2,(H,23,24)/t16-,17-,18-,21-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@@H]3C(=NC4=C2C(=O)N(C(=O)N4C)C)CCCC3=O
InChI: InChI=1S/C22H25N3O3/c1-12(2)13-8-10-14(11-9-13)17-18-15(6-5-7-16(18)26)23-20-19(17)21(27)25(4)22(28)24(20)3/h8-12,17-18H,5-7H2,1-4H3/t17-,18+/m0/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)O)COC
InChI: InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26-,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C22H34N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h13-18H,1-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2/t13-,14+,15+,16-,17-,18-/m0/s1
SMILES: C1=C(O[C@H]([C@@H]([C@H]1N)NS(=O)(=O)C(F)(F)F)[C@@H]([C@@H](CO)O)O)C(=O)O
InChI: InChI=1S/C10H15F3N2O8S/c11-10(12,13)24(21,22)15-6-3(14)1-5(9(19)20)23-8(6)7(18)4(17)2-16/h1,3-4,6-8,15-18H,2,14H2,(H,19,20)/t3-,4+,6+,7+,8+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2C[C@@H](N([C@@H]2/C=C/CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C=C
InChI: InChI=1S/C29H47NO5SSi/c1-11-23-21-26(36(32,33)24-18-16-22(2)17-19-24)25(30(23)27(31)35-28(3,4)5)15-13-12-14-20-34-37(9,10)29(6,7)8/h11,13,15-19,23,25-26H,1,12,14,20-21H2,2-10H3/b15-13+/t23-,25+,26+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H](O[C@@H]1OC)COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C23H26Cl2O6/c1-15(26)29-13-20-22(30-12-17-5-9-19(25)10-6-17)21(31-23(20)27-2)14-28-11-16-3-7-18(24)8-4-16/h3-10,20-23H,11-14H2,1-2H3/t20-,21-,22+,23+/m1/s1
SMILES: COC(=O)C1=C2[C@@]3(CCN4[C@@H]3[C@H](C1)CCC4)C5=CC=CC=C5N2
InChI: InChI=1S/C19H22N2O2/c1-23-18(22)13-11-12-5-4-9-21-10-8-19(17(12)21)14-6-2-3-7-15(14)20-16(13)19/h2-3,6-7,12,17,20H,4-5,8-11H2,1H3/t12-,17+,19+/m0/s1
SMILES: C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN(C2=N)O)C(=O)N
InChI: InChI=1S/C12H15N5O6/c13-9-6-4(10(14)21)1-16(11(6)15-3-17(9)22)12-8(20)7(19)5(2-18)23-12/h1,3,5,7-8,12-13,18-20,22H,2H2,(H2,14,21)/t5-,7-,8-,12-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)S(=O)(=O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C17H23NO2S/c19-21(20,13-11-15-6-2-1-3-7-15)18-12-10-16-8-4-5-9-17(16)14-18/h1-3,6-7,11,13,16-17H,4-5,8-10,12,14H2/b13-11+/t16-,17-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C
InChI: InChI=1S/C44H37NO7/c1-3-52-36-16-10-15-32(41(36)49)39-30-21-22-31-38(43(51)45(42(31)50)29-19-17-26(18-20-29)25(2)46)34(30)23-35-40(48)33(27-11-6-4-7-12-27)24-37(47)44(35,39)28-13-8-5-9-14-28/h4-21,24,31,34-35,38-39,49H,3,22-23H2,1-2H3/t31-,34+,35-,38-,39+,44-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
SMILES: C1=CN=C(C2=C1N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C12H15N3O4/c13-11-6-2-4-15(7(6)1-3-14-11)12-10(18)9(17)8(5-16)19-12/h1-4,8-10,12,16-18H,5H2,(H2,13,14)/t8-,9-,10-,12-/m1/s1
SMILES: B(OC(=O)C1=CN(C2=C(C(=C(C(=C2C1=O)N)F)N3C[C@H]([C@@H](C3)NC(=O)OC(C)(C)C)C)C)C4CC4)(F)F
InChI: InChI=1S/C24H30BF3N4O5/c1-11-8-31(10-15(11)30-23(35)36-24(3,4)5)20-12(2)19-16(18(29)17(20)26)21(33)14(22(34)37-25(27)28)9-32(19)13-6-7-13/h9,11,13,15H,6-8,10,29H2,1-5H3,(H,30,35)/t11-,15-/m1/s1
SMILES: C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H12N2O7/c12-2-3-6(15)7(16)8(18-3)11-5(14)1-4(13)10-9(11)17/h3,6-8,12,15-16H,1-2H2,(H,10,13,17)/t3-,6-,7-,8-/m1/s1
SMILES: CCCCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C17H28N2O5/c1-2-3-4-5-6-7-8-12-10-19(17(23)18-16(12)22)15-9-13(21)14(11-20)24-15/h10,13-15,20-21H,2-9,11H2,1H3,(H,18,22,23)/t13-,14+,15+/m0/s1
SMILES: CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OCC2=CC=C(C=C2)OC)C)C)C
InChI: InChI=1S/C25H36O5/c1-7-23-16(2)8-13-22(26)17(3)14-18(4)24(19(5)25(27)30-23)29-15-20-9-11-21(28-6)12-10-20/h8-13,16-19,23-24H,7,14-15H2,1-6H3/b13-8+/t16-,17-,18+,19-,23-,24+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)CCCC(=O)OC)C)O)F)C
InChI: InChI=1S/C28H36ClFO7/c1-16-12-20-19-9-8-17-13-18(31)10-11-25(17,2)27(19,30)21(32)14-26(20,3)28(16,22(33)15-29)37-24(35)7-5-6-23(34)36-4/h10-11,13,16,19-21,32H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
SMILES: C[C@@H]1[C@H]([NH2+][C@@H](C[C@@]1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H27NO/c1-19-24(22-15-9-4-10-16-22)26-23(21-13-7-3-8-14-21)18-25(19,27)17-20-11-5-2-6-12-20/h2-16,19,23-24,26-27H,17-18H2,1H3/p+1/t19-,23+,24+,25-/m1/s1
SMILES: C[C@H]([C@H]1C[C@@H]2CC[C@H]1C2)NC(=O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C18H23NO/c1-13(17-12-15-7-9-16(17)11-15)19-18(20)10-8-14-5-3-2-4-6-14/h2-6,8,10,13,15-17H,7,9,11-12H2,1H3,(H,19,20)/b10-8+/t13-,15-,16+,17-/m1/s1
SMILES: C[C@H](CO)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C28H50O2Si/c1-19(18-29)23-11-12-24-22-10-9-20-17-21(30-31(7,8)26(2,3)4)13-15-27(20,5)25(22)14-16-28(23,24)6/h11,19-22,24-25,29H,9-10,12-18H2,1-8H3/t19-,20?,21+,22+,24+,25+,27+,28-/m1/s1
SMILES: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C
InChI: InChI=1S/C23H25FN2O2/c1-14(2)13-18-20(23(18,3)4)22(28)26-19-8-6-5-7-17(19)21(27)25-16-11-9-15(24)10-12-16/h5-13,18,20H,1-4H3,(H,25,27)(H,26,28)/t18-,20+/m1/s1
SMILES: C[C@H]1COC2(CC1OC(=O)/C=C/C3=CC=CC=C3)C4(CO4)[C@@H]5CC[C@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)OC(=O)C)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O
InChI: InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(31(45)33(21(3)51-38)52-22(4)41)55-37-32(46)34(53-23(5)42)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20+,21+,25+,26+,27-,28?,30+,31-,32+,33+,34-,35+,37+,38-,39?,40?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H42O2Si/c1-8-15-27(28)17-14-24-23-11-9-19-18-20(29-30(6,7)25(2,3)4)10-12-21(19)22(23)13-16-26(24,27)5/h8,10,12,18,22-24,28H,1,9,11,13-17H2,2-7H3/t22-,23-,24+,26+,27+/m1/s1
SMILES: CCOC1=CC(=CC(=C1[O-])/C=N/NC(=O)[C@H]2[C@@H](CNC2=O)C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H20N4O6/c1-2-30-16-9-14(24(28)29)8-13(18(16)25)10-22-23-20(27)17-15(11-21-19(17)26)12-6-4-3-5-7-12/h3-10,15,17,25H,2,11H2,1H3,(H,21,26)(H,23,27)/p-1/b22-10+/t15-,17-/m0/s1
SMILES: C[C@H]1CO[C@@]2(C[C@@H]1O)[C@H](C3C(O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(C[C@H]([C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)O)C)C
InChI: InChI=1S/C33H54O12/c1-14-13-42-33(10-19(14)35)15(2)25-21(45-33)8-18-16-7-24(37)32(41)9-20(36)22(11-31(32,4)17(16)5-6-30(18,25)3)43-29-28(40)27(39)26(38)23(12-34)44-29/h14-29,34-41H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20+,21?,22+,23+,24+,25?,26+,27-,28+,29+,30-,31+,32-,33+/m0/s1
SMILES: CC(=O)NC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)NC4=CC=CC=C4)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C24H31N3O4S/c1-14(29)25-22-27-21-16(11-20(31)26-15-7-5-4-6-8-15)23(2)10-9-19(30)24(3,13-28)18(23)12-17(21)32-22/h4-8,16,18-19,28,30H,9-13H2,1-3H3,(H,26,31)(H,25,27,29)/t16-,18+,19-,23+,24+/m1/s1
SMILES: C1[C@@H]2[C@H]1N(C(C2)C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N
InChI: InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13?,14+,15?,17?,18?/m1/s1
SMILES: C[C@@H]1C[C@H]([C@H](N(C1)C)[C@H](C)[C@H]2[C@@H]3C[C@H]4[C@@H]5C[C@H]([C@H]6C[C@H](CC[C@@]6([C@H]5C[C@@]4([C@]2(C)O)O3)C)O)O)O
InChI: InChI=1S/C28H47NO5/c1-14-8-22(32)25(29(5)13-14)15(2)24-23-11-18-17-10-21(31)19-9-16(30)6-7-26(19,3)20(17)12-28(18,34-23)27(24,4)33/h14-25,30-33H,6-13H2,1-5H3/t14-,15-,16+,17+,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28-/m1/s1
SMILES: CC(=O)O[C@H]1CCCC[C@H]2[C@]13[C@@]2([C@H]4C=C[C@@H]3O4)Cl
InChI: InChI=1S/C14H17ClO3/c1-8(16)17-10-5-3-2-4-9-13(10)11-6-7-12(18-11)14(9,13)15/h6-7,9-12H,2-5H2,1H3/t9-,10-,11-,12+,13-,14+/m0/s1
SMILES: COC(=O)[C@@H]1[C@@]2(C(=C([C@]([C@@]1(C(=O)O)Br)(C2(OC)OC)Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H11BrCl4O6/c1-21-7(18)4-9(13,8(19)20)11(17)6(15)5(14)10(4,16)12(11,22-2)23-3/h4H,1-3H3,(H,19,20)/t4-,9+,10-,11-/m0/s1
SMILES: COC1=CC=CC=C1/C=C/C(=O)N2C[C@H]3[C@@]4(CC[C@H]([C@]3(C2)C(=O)O)C5=CC=CC=C54)C6=CC=C(C=C6)Br
InChI: InChI=1S/C31H28BrNO4/c1-37-26-9-5-2-6-20(26)10-15-28(34)33-18-27-30(21-11-13-22(32)14-12-21)17-16-25(31(27,19-33)29(35)36)23-7-3-4-8-24(23)30/h2-15,25,27H,16-19H2,1H3,(H,35,36)/b15-10+/t25-,27-,30-,31-/m0/s1
SMILES: C1CCC2(CC1)O[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O2)OC5(O4)CCCCC5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C25H34O6/c26-18-19(27-16-17-10-4-1-5-11-17)21-23(31-25(29-21)14-8-3-9-15-25)22-20(18)28-24(30-22)12-6-2-7-13-24/h1,4-5,10-11,18-23,26H,2-3,6-9,12-16H2/t18-,19-,20+,21-,22-,23-/m0/s1
SMILES: C1C[C@H]2[C@H](N(N=C2/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C1)C4=NC(=CS4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C29H23N5O4S/c35-33(36)23-12-4-7-19(16-23)15-21-10-6-14-25-27(21)31-32(28(25)22-11-5-13-24(17-22)34(37)38)29-30-26(18-39-29)20-8-2-1-3-9-20/h1-5,7-9,11-13,15-18,25,28H,6,10,14H2/b21-15+/t25-,28-/m1/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]
InChI: InChI=1S/C21H21NO3/c23-20(18-13-7-8-14-19(18)21(24)25)22(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-12,18-19H,13-15H2,(H,24,25)/p-1/t18-,19-/m0/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)O)COS(=O)(=O)[O-])O)COS(=O)(=O)[O-])O)O.[Na+].[Na+]
InChI: InChI=1S/C14H25NO17S2.2Na/c1-4(16)15-7-10(19)8(17)5(2-28-33(22,23)24)31-14(7)32-12-9(18)6(3-29-34(25,26)27)30-13(21)11(12)20;;/h5-14,17-21H,2-3H2,1H3,(H,15,16)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/t5-,6-,7-,8-,9+,10-,11-,12+,13-,14+;;/m1../s1
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C3=C(O2)C=CC(=C3)/C=C/C(=O)CCCCN=C(N)N)C(=O)NCCCCN=C(N)N)O
InChI: InChI=1S/C28H37N7O4/c29-27(30)34-15-2-1-5-20(36)10-6-18-7-13-23-22(17-18)24(25(39-23)19-8-11-21(37)12-9-19)26(38)33-14-3-4-16-35-28(31)32/h6-13,17,24-25,37H,1-5,14-16H2,(H,33,38)(H4,29,30,34)(H4,31,32,35)/b10-6+/t24-,25+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](C2CCC1C2)N3CCC(CC3)CN4CCC(CC4)OC5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C27H38Cl2N2O3/c1-2-33-27(32)25-19-3-4-20(15-19)26(25)31-13-7-18(8-14-31)17-30-11-9-21(10-12-30)34-22-5-6-23(28)24(29)16-22/h5-6,16,18-21,25-26H,2-4,7-15,17H2,1H3/t19?,20?,25-,26+/m1/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)O)C(C4=CC5=CC=CC=C5C=C4)O)O
InChI: InChI=1S/C36H48N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,27-30,34,47-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22?,23-,27?,28-,29-,30+,34-/m1/s1
SMILES: CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)OC(=O)OCC(CO)O)CCC4=CC(=O)CC[C@H]34
InChI: InChI=1S/C25H34O6/c1-3-24-11-9-20-19-8-6-17(27)13-16(19)5-7-21(20)22(24)10-12-25(24,4-2)31-23(29)30-15-18(28)14-26/h2,13,18-22,26,28H,3,5-12,14-15H2,1H3/t18?,19-,20+,21+,22-,24?,25?/m0/s1
SMILES: C[C@]12CC(C(=O)[C@H]([C@]1(CC[C@@H]2C#N)O[Si](C)(C)C)CC[C@]34CCCC=C3COCO4)SC5=CC=CC=C5
InChI: InChI=1S/C30H41NO4SSi/c1-28-18-26(36-24-11-6-5-7-12-24)27(32)25(30(28,35-37(2,3)4)17-13-22(28)19-31)14-16-29-15-9-8-10-23(29)20-33-21-34-29/h5-7,10-12,22,25-26H,8-9,13-18,20-21H2,1-4H3/t22-,25-,26?,28-,29-,30+/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CC(=O)N
InChI: InChI=1S/C19H21ClN4O4/c1-2-3-7-24-16(26)13-11(8-12(21)25)23-19(14(13)17(24)27)9-5-4-6-10(20)15(9)22-18(19)28/h4-6,11,13-14,23H,2-3,7-8H2,1H3,(H2,21,25)(H,22,28)/t11-,13+,14-,19-/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)CNC(=O)C(Cl)(Cl)Cl)CN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C30H34Cl3N5O4/c1-20-25(18-37-13-15-38(16-14-37)29-34-11-2-12-35-29)41-27(42-26(20)23-7-5-22(19-39)6-8-23)24-9-3-21(4-10-24)17-36-28(40)30(31,32)33/h2-12,20,25-27,39H,13-19H2,1H3,(H,36,40)/t20-,25+,26+,27+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H](CC[C@H](O2)C)O)(C)O)C)CCCNCCNCC3=NC=CS3)C)O)(C)O
InChI: InChI=1S/C36H66N4O9S/c1-9-28-36(8,46)31(43)26(6)40(17-10-13-37-14-15-38-20-29-39-16-18-50-29)21-22(2)19-35(7,45)32(24(4)30(42)25(5)33(44)48-28)49-34-27(41)12-11-23(3)47-34/h16,18,22-28,30-32,34,37-38,41-43,45-46H,9-15,17,19-21H2,1-8H3/t22-,23-,24+,25-,26-,27-,28-,30+,31-,32-,34+,35-,36-/m1/s1
SMILES: COC1=C(C=CC(=C1)CN2CCC[C@H]3[C@@H]2CCCC3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H31NO2/c1-26-24-16-20(13-14-23(24)27-18-19-8-3-2-4-9-19)17-25-15-7-11-21-10-5-6-12-22(21)25/h2-4,8-9,13-14,16,21-22H,5-7,10-12,15,17-18H2,1H3/t21-,22-/m0/s1
SMILES: COC(=O)[C@@]12CO[C@@]3([C@@]1(CCN(C3)CC4=C2NC5=CC=CC=C45)O)C=C
InChI: InChI=1S/C20H22N2O4/c1-3-18-11-22-9-8-20(18,24)19(12-26-18,17(23)25-2)16-14(10-22)13-6-4-5-7-15(13)21-16/h3-7,21,24H,1,8-12H2,2H3/t18-,19-,20+/m0/s1
SMILES: CC(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=C(C=C5)F)Cl
InChI: InChI=1S/C22H16ClFN2O3/c1-11(27)19-17-18(20-14-5-3-2-4-12(14)8-9-25(19)20)22(29)26(21(17)28)13-6-7-16(24)15(23)10-13/h2-10,17-20H,1H3/t17-,18+,19+,20-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H](CC=C)[C@H]1COC(O[C@H]1CC=C)(C)C
InChI: InChI=1S/C22H42O3Si/c1-11-13-20-19(15-23-22(9,10)24-20)21(14-12-2)25-26(16(3)4,17(5)6)18(7)8/h11-12,16-21H,1-2,13-15H2,3-10H3/t19-,20-,21-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F
InChI: InChI=1S/C19H17F3N2O5/c20-12-5-6-13(17(22)16(12)21)23-14(25)9-29-15(26)7-8-24-18(27)10-3-1-2-4-11(10)19(24)28/h1-2,5-6,10-11H,3-4,7-9H2,(H,23,25)/t10-,11+
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCOC)C2=CC3=C(C=C2)OCO3)CCCO
InChI: InChI=1S/C21H29NO7/c1-3-26-21-15(5-4-9-23)16(12-19(29-21)20(24)22-8-10-25-2)14-6-7-17-18(11-14)28-13-27-17/h6-7,11-12,15-16,21,23H,3-5,8-10,13H2,1-2H3,(H,22,24)/t15-,16+,21+/m0/s1
SMILES: CC(=O)N[C@@H]1CCC2=CC(=C(C(=C2C3=C1[C@@H]4[C@H]3C=C(C4=O)OC)OC)OC)OC
InChI: InChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)/t12-,13+,18-/m0/s1
SMILES: CCC(C)CCCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)OC[C@@]2([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)CCCC(C)CC)O)COC(=O)C
InChI: InChI=1S/C34H56O16/c1-8-19(3)12-10-14-26(38)48-30-24(16-43-21(5)35)47-33(29(41)28(30)40)45-18-34(42)32(49-27(39)15-11-13-20(4)9-2)31(46-23(7)37)25(50-34)17-44-22(6)36/h19-20,24-25,28-33,40-42H,8-18H2,1-7H3/t19?,20?,24-,25-,28-,29-,30-,31-,32+,33+,34-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C
InChI: InChI=1S/C20H28N2O2/c1-13-5-4-6-18(14(13)2)21-19(23)12-22(3)20(24)11-17-10-15-7-8-16(17)9-15/h4-6,15-17H,7-12H2,1-3H3,(H,21,23)/t15-,16+,17-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3
InChI: InChI=1S/C18H25ClN2O3S/c1-13-6-2-3-7-16(13)20-18(22)14-8-9-15(19)17(12-14)25(23,24)21-10-4-5-11-21/h8-9,12-13,16H,2-7,10-11H2,1H3,(H,20,22)/t13-,16+/m1/s1
SMILES: C=C1[C@@H]([C@@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)C#N
InChI: InChI=1S/C14H9ClF3N3O2/c1-7-10(6-19)13(12(23)20-7,14(16,17)18)21-11(22)8-2-4-9(15)5-3-8/h2-5,10H,1H2,(H,20,23)(H,21,22)/t10-,13+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C(=C(C=C3[O-])Cl)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl3N2O3/c19-8-4-5-11(12(20)6-8)16-10-3-1-2-9(10)15-17(22-16)14(24)7-13(21)18(15)23(25)26/h1-2,4-7,9-10,16,22,24H,3H2/p-1/t9-,10-,16-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O)O
InChI: InChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2-,3-,4+,5-,6-/m1/s1