EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4F)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H16ClFN2O3/c24-15-12-10-14(11-13-15)20-19-21(30-27(20)16-6-2-1-3-7-16)23(29)26(22(19)28)18-9-5-4-8-17(18)25/h1-13,19-21H/t19-,20-,21+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24-,25-,26+,27-/m1/s1
SMILES: CC1(O[C@@H]2CN3CCC[C@@H]([C@@H]3[C@@H]2O1)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C17H33NO3Si/c1-16(2,3)22(6,7)21-12-9-8-10-18-11-13-15(14(12)18)20-17(4,5)19-13/h12-15H,8-11H2,1-7H3/t12-,13+,14+,15+/m0/s1
SMILES: CCOC1=CC=C(C=C1)CN2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2
InChI: InChI=1S/C19H17FN4O3/c1-2-27-15-9-3-12(4-10-15)11-23-17-16(21-22-23)18(25)24(19(17)26)14-7-5-13(20)6-8-14/h3-10,16-17H,2,11H2,1H3/t16-,17+/m0/s1
SMILES: CCO[C@]1(C[C@@H]1C(=O)N/N=C\C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C19H19N3O4/c1-2-26-19(15-6-4-3-5-7-15)12-17(19)18(23)21-20-13-14-8-10-16(11-9-14)22(24)25/h3-11,13,17H,2,12H2,1H3,(H,21,23)/b20-13-/t17-,19-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H](OC1OC)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C26H28O5/c1-28-24-23(27)22(31-25(24)29-2)18-30-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-25,27H,18H2,1-2H3/t22-,23+,24-,25?/m1/s1
SMILES: C1=COC(=C1)/C=N/NC2=NC3=C(N=CN=C3N2[C@@H]4[C@H]([C@H]([C@@H](O4)CO)O)O)N
InChI: InChI=1S/C15H17N7O5/c16-12-9-13(18-6-17-12)22(14-11(25)10(24)8(5-23)27-14)15(20-9)21-19-4-7-2-1-3-26-7/h1-4,6,8,10-11,14,23-25H,5H2,(H,20,21)(H2,16,17,18)/b19-4+/t8-,10-,11-,14-/m0/s1
SMILES: CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@H]2CC(=O)[C@@H]3C[C@H]2C3(C)C)OC
InChI: InChI=1S/C26H40O3/c1-8-9-10-11-12-25(2,3)17-13-22(28-6)24(23(14-17)29-7)18-15-21(27)20-16-19(18)26(20,4)5/h13-14,18-20H,8-12,15-16H2,1-7H3/t18-,19+,20-/m0/s1
SMILES: CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H31N3O2/c1-22-21(26)18-9-7-16(8-10-18)13-23(2)15-20(25)24-12-11-17-5-3-4-6-19(17)14-24/h7-10,17,19H,3-6,11-15H2,1-2H3,(H,22,26)/t17-,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2SC[C@@H]3CCCO3
InChI: InChI=1S/C21H29NO4S/c1-15-7-2-4-10-18(15)22-20(23)13-26-21(24)17-9-3-5-11-19(17)27-14-16-8-6-12-25-16/h3,5,9,11,15-16,18H,2,4,6-8,10,12-14H2,1H3,(H,22,23)/t15-,16+,18+/m1/s1
SMILES: CC(C)COC1=CC=C(C=C1)C(=O)O[C@H]2CC(OC[C@@H]2C[NH+](C)C)(C)C
InChI: InChI=1S/C21H33NO4/c1-15(2)13-24-18-9-7-16(8-10-18)20(23)26-19-11-21(3,4)25-14-17(19)12-22(5)6/h7-10,15,17,19H,11-14H2,1-6H3/p+1/t17-,19-/m0/s1
SMILES: CC(=O)O[C@H](C1=CC=CC=C1)C(=O)O[C@@H]2[C@@H]([C@H]3[C@H]([C@H]4[C@H]2O[C@@]([C@](O4)(C)OC)(C)OC)O[C@@]([C@](O3)(C)OC)(C)OC)O
InChI: InChI=1S/C28H40O13/c1-15(29)36-18(16-13-11-10-12-14-16)24(31)37-19-17(30)20-22(40-26(3,33-7)25(2,32-6)38-20)23-21(19)39-27(4,34-8)28(5,35-9)41-23/h10-14,17-23,30H,1-9H3/t17-,18+,19+,20-,21-,22+,23+,25+,26+,27+,28+/m0/s1
SMILES: CCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@@]3([C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]3[C@@H]1C2(C)C)O5)CO)O)O)C)O)C
InChI: InChI=1S/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21+,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N=C2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34CO
InChI: InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17+,18-,19+/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)N[C@H]([C@H]([C@@H]3OCCOC)OC(=O)CCCCO[N+](=O)[O-])C4=CC=CC=C4)C
InChI: InChI=1S/C26H32N4O7/c1-17-18(2)29-13-12-20-23(26(29)27-17)28-22(19-9-5-4-6-10-19)25(24(20)35-16-15-34-3)37-21(31)11-7-8-14-36-30(32)33/h4-6,9-10,12-13,22,24-25,28H,7-8,11,14-16H2,1-3H3/t22-,24+,25+/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)CCN(C)CCO)C)\C)C
InChI: InChI=1S/C34H60N2O8/c1-10-30-23(4)17-21(2)11-12-28(38)22(3)18-26(13-14-36(9)15-16-37)33(25(6)29(39)20-31(40)43-30)44-34-32(41)27(35(7)8)19-24(5)42-34/h11-12,17,22-27,29-30,32-34,37,39,41H,10,13-16,18-20H2,1-9H3/b12-11+,21-17+/t22-,23+,24-,25+,26+,27+,29?,30-,32-,33-,34+/m1/s1
SMILES: C=C1[C@H]([C@H](NC(=O)N1)C2=CC(=CC=C2)F)C(=O)OCCOC3=CC=CC=C3
InChI: InChI=1S/C20H19FN2O4/c1-13-17(19(24)27-11-10-26-16-8-3-2-4-9-16)18(23-20(25)22-13)14-6-5-7-15(21)12-14/h2-9,12,17-18H,1,10-11H2,(H2,22,23,25)/t17-,18-/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5)OC)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C35H31ClN2O6/c1-3-37-31(40)25-15-14-23-26(29(25)33(37)42)18-27-32(41)38(21-11-7-10-20(36)16-21)34(43)35(27,19-8-5-4-6-9-19)30(23)24-13-12-22(44-2)17-28(24)39/h4-14,16-17,25-27,29-30,39H,3,15,18H2,1-2H3/t25-,26+,27-,29-,30+,35+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=C6)Cl)Cl)C7=CC=C(C=C7)OC)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C42H31Cl2F6N3O6/c1-19-4-3-5-28(35(19)54)34-26-11-12-27-33(38(57)52(36(27)55)24-15-21(41(45,46)47)14-22(16-24)42(48,49)50)29(26)18-30-37(56)53(51-32-13-8-23(43)17-31(32)44)39(58)40(30,34)20-6-9-25(59-2)10-7-20/h3-11,13-17,27,29-30,33-34,51,54H,12,18H2,1-2H3/t27-,29+,30-,33-,34+,40+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C=C[C@@]1(C(=O)O2)C(=O)OC
InChI: InChI=1S/C15H24O5Si/c1-14(2,3)21(5,6)20-11-9-10-7-8-15(11,12(16)18-4)13(17)19-10/h7-8,10-11H,9H2,1-6H3/t10-,11+,15+/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC(=NN3C4=CC=C(C=C4)C)C
InChI: InChI=1S/C23H22N4O2/c1-14-4-6-18(7-5-14)27-22(11-16(3)26-27)25-23(28)17(13-24)12-19-8-9-21(29-19)20-10-15(20)2/h4-9,11-12,15,20H,10H2,1-3H3,(H,25,28)/b17-12+/t15-,20+/m0/s1
SMILES: CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI: InChI=1S/C29H23Br2NO4/c1-2-3-16-36-27(35)17-12-14-18(15-13-17)32-25(33)23-24(26(32)34)29(31)20-9-5-4-8-19(20)28(23,30)21-10-6-7-11-22(21)29/h4-15,23-24H,2-3,16H2,1H3/t23-,24-,28?,29?/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)Cl)N
InChI: InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4-,6-,9-/m1/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C24H23ClN2O3/c1-13-10-14(2)12-17(11-13)27-23(29)19-18-4-3-9-26(18)21(20(19)24(27)30)22(28)15-5-7-16(25)8-6-15/h5-8,10-12,18-21H,3-4,9H2,1-2H3/t18-,19+,20+,21+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)COCCNC(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])O)O)C
InChI: InChI=1S/C18H24N2O10/c1-18(2)29-14-12(28-17(26-3)15(14)30-18)8-27-5-4-19-16(23)10-6-9(20(24)25)7-11(21)13(10)22/h6-7,12,14-15,17,21-22H,4-5,8H2,1-3H3,(H,19,23)/t12-,14-,15-,17-/m1/s1
SMILES: C[C@H]1[C@@H](O1)[C@H]2[C@H](O2)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C12H14O4S/c1-7-3-5-9(6-4-7)17(13,14)12-11(16-12)10-8(2)15-10/h3-6,8,10-12H,1-2H3/t8-,10+,11-,12+/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@@H](C=O)OCC2=CC=CC=C2)/C=C\COCC3=CC=CC=C3)C
InChI: InChI=1S/C24H28O5/c1-24(2)28-21(14-9-15-26-17-19-10-5-3-6-11-19)23(29-24)22(16-25)27-18-20-12-7-4-8-13-20/h3-14,16,21-23H,15,17-18H2,1-2H3/b14-9-/t21-,22+,23-/m0/s1
SMILES: CC1[C@@H](C[C@@H]2[C@@]([C@H]1CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)(CCCC2(C)C)C)O
InChI: InChI=1S/C32H48O2Si/c1-24-27(32(7)21-14-20-31(5,6)29(32)23-28(24)33)19-22-34-35(30(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,24,27-29,33H,14,19-23H2,1-7H3/t24?,27-,28+,29-,32+/m0/s1
SMILES: COC1=CC=CC(=C1OC)[C@@H]2[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C=CC(=C5)C(=O)[O-]
InChI: InChI=1S/C23H25NO4/c1-27-18-5-3-4-15(22(18)28-2)21-20-13-7-6-12(10-13)19(20)16-11-14(23(25)26)8-9-17(16)24-21/h3-5,8-9,11-13,19-21,24H,6-7,10H2,1-2H3,(H,25,26)/p-1/t12-,13+,19+,20+,21+/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=C(C(=C(C=C3)O)OC)[N+](=O)[O-]
InChI: InChI=1S/C20H20N4O5S/c1-10-5-4-6-12(9-10)22-19(26)15-11(2)21-20(30)23-16(15)13-7-8-14(25)18(29-3)17(13)24(27)28/h4-9,15-16,25H,2H2,1,3H3,(H,22,26)(H2,21,23,30)/t15-,16+/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C38H41N3O7S/c1-24-34(23-49-32-19-17-30(18-20-32)39-25(2)43)47-37(48-35(24)28-11-9-27(22-42)10-12-28)29-13-15-31(16-14-29)40-38(45)41-33(36(44)46-3)21-26-7-5-4-6-8-26/h4-20,24,33-35,37,42H,21-23H2,1-3H3,(H,39,43)(H2,40,41,45)/t24-,33+,34+,35+,37+/m1/s1
SMILES: C[C@H]1CCC[C@H]2[C@@]1([C@@H](C3=C(C(=O)O[C@H]3C2)C)O)C
InChI: InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3/t8-,10+,11-,13+,15+/m0/s1
SMILES: C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)CC6=C7C=CC=CC7=CC8=CC=CC=C86.C1=CC=C(C=C1)[O-]
InChI: InChI=1S/C43H37F6N2O.C6H6O/c1-2-28-24-51(25-38-34-11-5-3-9-30(34)21-31-10-4-6-12-35(31)38)18-16-29(28)22-40(51)41(37-15-17-50-39-14-8-7-13-36(37)39)52-26-27-19-32(42(44,45)46)23-33(20-27)43(47,48)49;7-6-4-2-1-3-5-6/h2-15,17,19-21,23,28-29,40-41H,1,16,18,22,24-26H2;1-5,7H/q+1;/p-1/t28-,29-,40-,41+,51?;/m0./s1
SMILES: C1=C[C@]23[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)N(C3C#N)C4=CC=C(C=C4)Br
InChI: InChI=1S/C16H11BrN2O4/c17-8-1-3-9(4-2-8)19-11(7-18)16-6-5-10(23-16)12(15(21)22)13(16)14(19)20/h1-6,10-13H,(H,21,22)/t10-,11?,12-,13+,16-/m0/s1
SMILES: C[C@]12CCC(=CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)N5CCCCC5)C)N6CCCC6
InChI: InChI=1S/C28H42N2O/c1-27-12-10-21(29-14-6-7-15-29)18-20(27)8-9-22-23(27)11-13-28(2)24(22)19-25(26(28)31)30-16-4-3-5-17-30/h8,18,22-25H,3-7,9-17,19H2,1-2H3/t22-,23+,24+,25+,27+,28+/m1/s1
SMILES: C[C@H]1[C@H]([NH+]([C@@H](C[C@@]1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C26H29NO/c1-20-25(23-16-10-5-11-17-23)27(2)24(22-14-8-4-9-15-22)19-26(20,28)18-21-12-6-3-7-13-21/h3-17,20,24-25,28H,18-19H2,1-2H3/p+1/t20-,24-,25-,26+/m0/s1
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)C
InChI: InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22?,23+,24+,25-,27-,28+,29-,30-/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C=C4[C@@]3([C@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@@H]([C@H](C6)OC=O)Cl)C)O)C)C)OC1
InChI: InChI=1S/C28H41ClO5/c1-15-7-8-28(33-13-15)16(2)25-23(34-28)10-20-18-6-5-17-9-22(32-14-30)21(29)12-26(17,3)19(18)11-24(31)27(20,25)4/h10,14-19,21-25,31H,5-9,11-13H2,1-4H3/t15-,16-,17-,18+,19-,21-,22-,23-,24-,25-,26-,27+,28+/m0/s1
SMILES: C1[C@@H]2C=C([C@H]([C@H]1C(=O)O)[C@H]3[C@@H]2C(=O)OC3=O)C4=CC=CC=C4
InChI: InChI=1S/C17H14O5/c18-15(19)11-7-9-6-10(8-4-2-1-3-5-8)13(11)14-12(9)16(20)22-17(14)21/h1-6,9,11-14H,7H2,(H,18,19)/t9-,11-,12+,13+,14+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=NN=C([C@@H]3[C@H]2C3)C4=CC=C(C=C4)C
InChI: InChI=1S/C19H18N2/c1-12-3-7-14(8-4-12)18-16-11-17(16)19(21-20-18)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3/t16-,17+
SMILES: COC1=CC=C(C=C1)CCC(=O)C2=C(C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O
InChI: InChI=1S/C28H36O14/c1-38-14-8-5-13(6-9-14)7-10-16(32)20-15(31)3-2-4-17(20)39-27-25(37)23(35)26(19(12-30)41-27)42-28-24(36)22(34)21(33)18(11-29)40-28/h2-6,8-9,18-19,21-31,33-37H,7,10-12H2,1H3/t18-,19-,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1
SMILES: CC[NH+]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C22H23N5O2/c1-4-27-8-7-15-17(10-23)21(26)22(12-24,13-25)20(18(15)11-27)16-9-14(28-2)5-6-19(16)29-3/h5-7,9,17-18,20,26H,4,8,11H2,1-3H3/p+1/t17?,18-,20+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CCC(=O)[O-])Cl
InChI: InChI=1S/C16H17ClN2O5S2/c1-9-2-3-10(6-11(9)17)19-12-7-26(23,24)8-13(12)25-16(19)18-14(20)4-5-15(21)22/h2-3,6,12-13H,4-5,7-8H2,1H3,(H,21,22)/p-1/t12-,13-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](O[C@H](O2)[C@H]([C@@H]1OC(=O)C)OC(=O)C)SC3=CC=CC=C3
InChI: InChI=1S/C18H20O8S/c1-9(19)22-13-14(23-10(2)20)16-18(27-12-7-5-4-6-8-12)26-17(25-16)15(13)24-11(3)21/h4-8,13-18H,1-3H3/t13-,14-,15+,16+,17+,18+/m1/s1
SMILES: CCOC(=O)C1=C(NC(=O)N[C@@H]1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)C
InChI: InChI=1S/C19H28N2O8/c1-7-24-15(22)9-8(2)20-17(23)21-10(9)11-12-13(27-18(3,4)26-12)14-16(25-11)29-19(5,6)28-14/h10-14,16H,7H2,1-6H3,(H2,20,21,23)/t10-,11+,12-,13-,14+,16+/m0/s1
SMILES: COCNC(=O)[C@@H]1[C@H]2CCC(N2CCCN(CCS)CC(=O)NCCS)C[C@@H]1C3=CC=C(C=C3)F.[O-2].[Re]
InChI: InChI=1S/C25H39FN4O3S2.O.Re/c1-33-17-28-25(32)24-21(18-3-5-19(26)6-4-18)15-20-7-8-22(24)30(20)11-2-10-29(12-14-35)16-23(31)27-9-13-34;;/h3-6,20-22,24,34-35H,2,7-17H2,1H3,(H,27,31)(H,28,32);;/q;-2;/t20?,21-,22-,24+;;/m1../s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCCCCCCN)C)C
InChI: InChI=1S/C33H59NO/c1-24(2)11-10-12-25(3)29-15-16-30-28-14-13-26-23-27(35-22-9-7-6-8-21-34)17-19-32(26,4)31(28)18-20-33(29,30)5/h13,24-25,27-31H,6-12,14-23,34H2,1-5H3/t25-,27+,28+,29-,30+,31+,32+,33-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C21H30N2O4/c1-13-9-10-17(11-15(13)3)21(26)22-12-19(24)27-16(4)20(25)23-18-8-6-5-7-14(18)2/h9-11,14,16,18H,5-8,12H2,1-4H3,(H,22,26)(H,23,25)/t14-,16+,18-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C22H33N5O2S/c1-14(2)17-8-10-18(11-9-17)29-12-20-25-26-22(27(20)23)30-13-21(28)24-19-7-5-6-15(3)16(19)4/h8-11,14-16,19H,5-7,12-13,23H2,1-4H3,(H,24,28)/t15-,16+,19+/m0/s1
SMILES: CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C22H31NO4/c1-4-5-6-7-18-17(9-10-19(18)24)15-22(25)23-13-12-16-8-11-20(26-2)21(14-16)27-3/h5-6,8,11,14,17-18H,4,7,9-10,12-13,15H2,1-3H3,(H,23,25)/b6-5-/t17-,18-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C18H21ClN2O5/c19-16-6-5-14(21(24)25)9-15(16)18(23)26-11-17(22)20-8-7-12-3-1-2-4-13(12)10-20/h5-6,9,12-13H,1-4,7-8,10-11H2/t12-,13+/m1/s1
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C21H25NO4/c1-14-17-8-4-5-9-18(17)26-20(14)21(24)25-13-19(23)22-11-10-15-6-2-3-7-16(15)12-22/h4-5,8-9,15-16H,2-3,6-7,10-13H2,1H3/t15-,16+/m1/s1
SMILES: CC(=CCC1=C(C=CC2=C1OC[C@@H]3[C@H]2OC4=C(C5=C(C=C34)OCO5)[Si](C)(C)C)OCOC)C
InChI: InChI=1S/C26H32O6Si/c1-15(2)7-8-16-20(29-13-27-3)10-9-17-22(16)28-12-19-18-11-21-25(31-14-30-21)26(33(4,5)6)24(18)32-23(17)19/h7,9-11,19,23H,8,12-14H2,1-6H3/t19-,23-/m0/s1
SMILES: CC(C)(C)COC(=O)N(C)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=C(C=C6)SC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C46H64N2O9S/c1-7-25-54-46-40(48(5)44(51)53-30-45(2,3)4)29-38(47-57-41-16-10-13-26-52-41)36-27-31(14-8-11-23-49)35(15-9-12-24-50)42(43(36)46)37-28-33(19-22-39(37)56-46)55-32-17-20-34(58-6)21-18-32/h7,17-22,27-28,31,35,40-43,49-50H,1,8-16,23-26,29-30H2,2-6H3/t31-,35+,40-,41?,42+,43+,46+/m0/s1
SMILES: CCC1=NN(N=N1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)N5CC[C@@H](C5)NC(=O)NCC6=CC=CC=N6)NCC(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C38H43N13O3/c1-2-31-46-48-51(47-31)30-19-29(33(52)34(30)53)50-23-42-32-35(40-21-28(24-11-5-3-6-12-24)25-13-7-4-8-14-25)44-37(45-36(32)50)49-18-16-27(22-49)43-38(54)41-20-26-15-9-10-17-39-26/h3-15,17,23,27-30,33-34,52-53H,2,16,18-22H2,1H3,(H,40,44,45)(H2,41,43,54)/t27-,29+,30-,33-,34+/m0/s1
SMILES: C[C@H]1[C@H](N(C1=[N+](C)C)C2=CC=C(C=C2)OC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C19H23N2O.ClHO4/c1-14-18(15-8-6-5-7-9-15)21(19(14)20(2)3)16-10-12-17(22-4)13-11-16;2-1(3,4)5/h5-14,18H,1-4H3;(H,2,3,4,5)/q+1;/p-1/t14-,18-;/m0./s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)CNC(=O)CCCC(=O)NC5=CC=CC=C5N)C6=CC=C(C=C6)CO
InChI: InChI=1S/C44H59N5O6/c1-44(2,3)48-42(53)38-24-23-31-9-4-7-12-37(31)49(38)27-34-25-39(32-19-17-30(28-50)18-20-32)55-43(54-34)33-21-15-29(16-22-33)26-46-40(51)13-8-14-41(52)47-36-11-6-5-10-35(36)45/h5-6,10-11,15-22,31,34,37-39,43,50H,4,7-9,12-14,23-28,45H2,1-3H3,(H,46,51)(H,47,52)(H,48,53)/t31-,34+,37-,38-,39-,43-/m1/s1
SMILES: C[C@@H]1[C@@H]2CC[C@@]3([C@@]([C@H]2CC4=C1C=CO4)(CCC[C@]3(C)C(=O)OC)C)O
InChI: InChI=1S/C21H30O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11,13-14,16,23H,5-6,8-10,12H2,1-4H3/t13-,14+,16+,19-,20-,21+/m1/s1
SMILES: COCOC[C@@H]1[C@@H](CC[C@@H](N1C(=O)OC)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H41NO6/c1-40-28-42-27-34-35(43-25-29-15-7-3-8-16-29)24-23-33(38(34)36(39)41-2)26-44-37(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-22,33-35H,23-28H2,1-2H3/t33-,34-,35-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C)C4=CN=CC=C4
InChI: InChI=1S/C23H27N5OS/c1-16-9-11-19(12-10-16)25-21(29)15-30-23-27-26-22(18-7-5-13-24-14-18)28(23)20-8-4-3-6-17(20)2/h5,7,9-14,17,20H,3-4,6,8,15H2,1-2H3,(H,25,29)/t17-,20-/m1/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C[C@H](O1)OC)C=O
InChI: InChI=1S/C15H30O4Si/c1-11(2)15(3,4)20(6,7)18-10-13-12(9-16)8-14(17-5)19-13/h9,11-14H,8,10H2,1-7H3/t12-,13+,14-/m0/s1
SMILES: C1CC2=C(C=CC(=C2)F)[C@@H]3[C@@H]1C4=C(CC3)C=C(C=C4)F
InChI: InChI=1S/C18H16F2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-18H,1-2,5-6H2/t17-,18+
SMILES: CC[C@H]1CC(=O)[C@@H](C(=O)[C@@H]([C@H]([C@@](C[C@H](/C(=N\OCC)/[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC/C=C/C2=CC3=CC=CC=C3N=C2)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C
InChI: InChI=1S/C44H67N3O9/c1-12-33-23-36(48)28(5)38(49)30(7)41(56-42-39(50)35(47(10)11)21-27(4)55-42)43(8,24-26(3)37(46-54-13-2)29(6)40(51)44(33,9)52)53-20-16-17-31-22-32-18-14-15-19-34(32)45-25-31/h14-19,22,25-30,33,35,39-42,50-52H,12-13,20-21,23-24H2,1-11H3/b17-16+,46-37+/t26-,27-,28+,29+,30+,33+,35+,39-,40-,41-,42+,43+,44-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H26N2O3S/c22-19(14-17-13-15-6-7-16(17)12-15)20-8-10-21(11-9-20)25(23,24)18-4-2-1-3-5-18/h1-5,15-17H,6-14H2/t15-,16-,17+/m0/s1
SMILES: C/C(=N/NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)/[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H26N2O4/c1-11(15-8-12-5-6-13(15)7-12)20-21-19(22)14-9-16(23-2)18(25-4)17(10-14)24-3/h9-10,12-13,15H,5-8H2,1-4H3,(H,21,22)/b20-11-/t12-,13+,15-/m0/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)CCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C38H66N2O5Si3/c1-10-30-29-40-25-23-31(30)27-36(40)38(33-22-24-39-35-21-20-32(42-2)28-34(33)35)43-37(41)19-17-15-13-11-12-14-16-18-26-48(9,44-46(3,4)5)45-47(6,7)8/h20-22,24,28,30-31,36,38H,10-19,23,25-27,29H2,1-9H3/t30-,31-,36+,38-/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@H]3CCCC[C@@]3(CCN2CC4=CC=CC=C4F)O
InChI: InChI=1S/C26H35FN2O/c1-3-28(4-2)22-14-12-20(13-15-22)25-23-10-7-8-16-26(23,30)17-18-29(25)19-21-9-5-6-11-24(21)27/h5-6,9,11-15,23,25,30H,3-4,7-8,10,16-19H2,1-2H3/t23-,25-,26+/m1/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C3=C2CCC3)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H34OSi/c1-18(2,3)21(6,7)20-16-12-11-15-13-9-8-10-14(13)17(16)19(15,4)5/h15-17H,8-12H2,1-7H3/t15-,16+,17-/m0/s1
SMILES: CC[C@@H]1[C@@](C2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CC=CC=C4)/CO2)C)C)C)(C)O
InChI: InChI=1S/C41H63N3O11/c1-12-32-41(9,49)37-25(4)33(42-28(7)45)23(2)19-40(8,51-22-30(21-50-37)43-52-20-29-16-14-13-15-17-29)36(26(5)34(46)27(6)38(48)54-32)55-39-35(47)31(44(10)11)18-24(3)53-39/h13-17,23-27,31-32,35-37,39,47,49H,12,18-22H2,1-11H3/b42-33?,43-30+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37?,39+,40-,41-/m1/s1
SMILES: CCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C27H20BrNO4/c1-2-33-26(32)15-8-7-9-16(14-15)29-24(30)22-21-17-10-3-5-12-19(17)27(28,23(22)25(29)31)20-13-6-4-11-18(20)21/h3-14,21-23H,2H2,1H3/t21?,22-,23+,27?/m1/s1
SMILES: C[C@@]12CC[C@@H](C[C@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]4(C)O)C)O
InChI: InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19+,20-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)C2CCC(CC2)C(=O)O[C@@H]3C[C@@H](CC[C@@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C28H48O4/c1-17(2)23-13-7-19(5)15-25(23)31-27(29)21-9-11-22(12-10-21)28(30)32-26-16-20(6)8-14-24(26)18(3)4/h17-26H,7-16H2,1-6H3/t19-,20-,21?,22?,23-,24-,25-,26-/m1/s1
SMILES: CCCCCC1=CC(=C(S1)C(=O)NC(C)(C)C)[C@@H]2[C@H](CCC3=CC(=C(C=C23)OC)OC)N
InChI: InChI=1S/C26H38N2O3S/c1-7-8-9-10-17-14-19(24(32-17)25(29)28-26(2,3)4)23-18-15-22(31-6)21(30-5)13-16(18)11-12-20(23)27/h13-15,20,23H,7-12,27H2,1-6H3,(H,28,29)/t20-,23+/m0/s1
SMILES: C[C@@]12CC[C@@H](C([C@H]1CCCC2=C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H38OSi/c1-15-11-10-12-16-19(5,6)17(13-14-20(15,16)7)21-22(8,9)18(2,3)4/h16-17H,1,10-14H2,2-9H3/t16-,17+,20+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](C3(F)F)CO)CO)N
InChI: InChI=1S/C11H13F2N5O2/c12-11(13)6(2-20)5(1-19)8(11)18-4-17-7-9(14)15-3-16-10(7)18/h3-6,8,19-20H,1-2H2,(H2,14,15,16)/t5-,6-,8+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H22ClN3O2S/c1-11-5-3-4-6-15(11)20-16(23)12(2)25-18-22-21-17(24-18)13-7-9-14(19)10-8-13/h7-12,15H,3-6H2,1-2H3,(H,20,23)/t11-,12-,15+/m1/s1
SMILES: CC(CCC(C(=C)C)O)[C@H]1CCC2([C@@]1(CC[C@]34[C@H]2CCC5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI: InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20?,21-,22?,23?,24+,25+,27-,28?,29-,30+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)[O-]
InChI: InChI=1S/C22H18N2O5/c25-19(23-18-8-4-3-7-17(18)22(28)29)13-9-11-14(12-10-13)24-20(26)15-5-1-2-6-16(15)21(24)27/h1-4,7-12,15-16H,5-6H2,(H,23,25)(H,28,29)/p-1/t15-,16-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
InChI: InChI=1S/C18H24N2O5/c1-11-7-4-5-9-15(11)19-17(21)13(3)25-18(22)14-8-6-10-16(12(14)2)20(23)24/h6,8,10-11,13,15H,4-5,7,9H2,1-3H3,(H,19,21)/t11-,13-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H21N3O4S/c1-28-14-8-6-13(7-9-14)17-12-29-21(22-17)23-18(25)10-11-24-19(26)15-4-2-3-5-16(15)20(24)27/h2-3,6-9,12,15-16H,4-5,10-11H2,1H3,(H,22,23,25)/t15-,16+
SMILES: C[C@@H]1C[C@H]1C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H13N3O5/c1-8-6-11(8)14(18)21-7-12-15-16-13(22-12)9-2-4-10(5-3-9)17(19)20/h2-5,8,11H,6-7H2,1H3/t8-,11-/m1/s1
SMILES: CS(=O)(=O)OCC1([C@H]2[C@H](O2)[C@@H](O1)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COS(=O)(=O)C
InChI: InChI=1S/C20H21N5O9S2/c1-35(27,28)31-8-20(9-32-36(2,29)30)15-14(33-15)19(34-20)25-11-23-13-16(21-10-22-17(13)25)24-18(26)12-6-4-3-5-7-12/h3-7,10-11,14-15,19H,8-9H2,1-2H3,(H,21,22,24,26)/t14-,15+,19+/m0/s1
SMILES: C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@@]([C@@]2(C(=O)C(CC(=O)O)O)O)(CC(=O)O)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)F)O
InChI: InChI=1S/C25H30F2O10/c1-21-4-3-11(28)5-13(21)15(26)6-12-14-8-23(36,10-19(33)34)25(37,20(35)16(29)7-18(31)32)22(14,2)9-17(30)24(12,21)27/h3-5,12,14-17,29-30,36-37H,6-10H2,1-2H3,(H,31,32)(H,33,34)/t12-,14-,15+,16?,17-,21-,22-,23-,24?,25-/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CC3)C(=O)C(=O)N)CCC24CC4)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C
InChI: InChI=1S/C35H57N5O7S/c1-32(2,3)27(38-31(45)39-35(13-8-7-9-14-35)20-48(46,47)33(4,5)6)30(44)40-19-23-22(12-15-34(23)16-17-34)25(40)29(43)37-24(18-21-10-11-21)26(41)28(36)42/h21-25,27H,7-20H2,1-6H3,(H2,36,42)(H,37,43)(H2,38,39,45)/t22-,23-,24?,25-,27+/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)C2[C@@H]3[C@@H]2CC/C=C\CC/C=C\CC3
InChI: InChI=1S/C21H27NO/c1-16-11-10-12-17(15-16)22-21(23)20-18-13-8-6-4-2-3-5-7-9-14-19(18)20/h4-7,10-12,15,18-20H,2-3,8-9,13-14H2,1H3,(H,22,23)/b6-4-,7-5-/t18-,19-/m0/s1