EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C19H24N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h8-9,11,14-15H,2-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2CC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C23H33N3O3S/c27-23(19-25-13-6-10-21-9-4-5-11-22(21)25)24-14-16-26(17-15-24)30(28,29)18-12-20-7-2-1-3-8-20/h1-3,7-8,12,18,21-22H,4-6,9-11,13-17,19H2/b18-12+/t21-,22-/m0/s1
SMILES: CC1(OC[C@@]2(O1)[C@@H]([C@H](C=C2I)OC3=C(N=C(C=C3)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)Cl)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C28H42ClIN2O8Si/c1-25(2,3)38-24(35)32-17(13-21(33)34)16-11-12-18(23(29)31-16)37-19-14-20(30)28(15-36-27(7,8)40-28)22(19)39-41(9,10)26(4,5)6/h11-12,14,17,19,22H,13,15H2,1-10H3,(H,32,35)(H,33,34)/t17-,19+,22-,28+/m1/s1
SMILES: C[C@@H]1[C@H](CC[C@]2([C@H]1[C@H]([C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4CC(=O)O3)(OC5)C(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C)O)C)O
InChI: InChI=1S/C27H46O9Si2/c1-14-15(28)10-11-25(2)18(14)19(30)22-26-13-33-27(24(31)32-3,16(26)12-17(29)34-22)23(36-38(7,8)9)20(21(25)26)35-37(4,5)6/h14-16,18-23,28,30H,10-13H2,1-9H3/t14-,15+,16-,18-,19-,20-,21-,22-,23+,25+,26+,27+/m1/s1
SMILES: COC(=O)N1CC[C@H]2[C@@H]1C3=C(N=C(C=C3[C@@H](C2)SC4=CC=CC=C4)Cl)Cl
InChI: InChI=1S/C19H18Cl2N2O2S/c1-25-19(24)23-8-7-11-9-14(26-12-5-3-2-4-6-12)13-10-15(20)22-18(21)16(13)17(11)23/h2-6,10-11,14,17H,7-9H2,1H3/t11-,14-,17-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NC)N3C=NC4=C(N=CN=C43)NCC5=CC(=CC=C5)S(=O)(=O)O)C
InChI: InChI=1S/C21H24N6O7S/c1-21(2)33-14-15(19(28)22-3)32-20(16(14)34-21)27-10-26-13-17(24-9-25-18(13)27)23-8-11-5-4-6-12(7-11)35(29,30)31/h4-7,9-10,14-16,20H,8H2,1-3H3,(H,22,28)(H,23,24,25)(H,29,30,31)/t14-,15+,16-,20-/m1/s1
SMILES: CC1=CC(=C(N1CCCC(=O)OC)C)C2=CSC3=N[C@H]4CCCC[C@@H]4N23
InChI: InChI=1S/C20H27N3O2S/c1-13-11-15(14(2)22(13)10-6-9-19(24)25-3)18-12-26-20-21-16-7-4-5-8-17(16)23(18)20/h11-12,16-17H,4-10H2,1-3H3/t16-,17-/m0/s1
SMILES: C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)NC(=O)CSC3=CC=CC=C3C(=O)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC
InChI: InChI=1S/C31H32N2O4S/c1-18(23-14-19-11-12-20(23)13-19)32-30(34)17-38-29-10-6-4-8-22(29)31(35)33-25-16-27-24(15-28(25)36-2)21-7-3-5-9-26(21)37-27/h3-10,15-16,18-20,23H,11-14,17H2,1-2H3,(H,32,34)(H,33,35)/t18-,19-,20-,23-/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7CCN(CC7)CC8=CC=CC=C8)I)O
InChI: InChI=1S/C39H35Cl2FIN3O6/c1-52-30-18-22(17-29(43)33(30)47)32-26-11-12-27-31(35(49)45(34(27)48)25-13-15-44(16-14-25)20-21-5-3-2-4-6-21)28(26)19-38(40)36(50)46(37(51)39(32,38)41)24-9-7-23(42)8-10-24/h2-11,17-18,25,27-28,31-32,47H,12-16,19-20H2,1H3/t27-,28+,31-,32-,38+,39-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C18H20N2O5S/c1-10-6-12(10)17(22)25-8-16(21)20-18-19-14(9-26-18)13-7-11(23-2)4-5-15(13)24-3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,19,20,21)/t10-,12+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H](C2=O)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H22O3/c1-17(2)14-9-10-18(17,3)15(19)13(14)11-21-16(20)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14-,18+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H]([C@H]4O)O)OS(=O)(=O)O)C)O)O)C)C(CC(C)C(C)C)O
InChI: InChI=1S/C28H50O9S/c1-13(2)14(3)11-19(29)15(4)16-7-8-17-21-18(9-10-27(16,17)5)28(6)12-20(37-38(34,35)36)23(30)25(32)22(28)26(33)24(21)31/h13-26,29-33H,7-12H2,1-6H3,(H,34,35,36)/t14?,15-,16+,17+,18-,19?,20-,21-,22+,23+,24+,25-,26+,27+,28+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C4=CC=C(C=C4)F)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(S6)C)C
InChI: InChI=1S/C38H47FN2O3S/c1-26-5-4-17-37(3)34(16-18-38(37,44)25-40-19-21-41(22-20-40)30-11-9-29(39)10-12-30)32-14-8-28(23-31(42)13-6-26)24-33(32)36(43)35-15-7-27(2)45-35/h5,7-12,14-15,24,31,34,42,44H,4,6,13,16-23,25H2,1-3H3/t31-,34-,37-,38+/m0/s1
SMILES: C[C@@]1(CC[C@@H](C[C@@H]1CCO)O)C2CC[C@@]3(C([C@H]2O)CCC3=C)C
InChI: InChI=1S/C20H34O3/c1-13-4-5-16-18(23)17(7-10-19(13,16)2)20(3)9-6-15(22)12-14(20)8-11-21/h14-18,21-23H,1,4-12H2,2-3H3/t14-,15-,16?,17?,18+,19-,20-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)/[N+](=C/C4=CCCC4)/[O-])C
InChI: InChI=1S/C18H27NO6/c1-17(2)21-10-12(23-17)14-13(19(20)9-11-7-5-6-8-11)15-16(22-14)25-18(3,4)24-15/h7,9,12-16H,5-6,8,10H2,1-4H3/b19-9-/t12-,13-,14-,15-,16-/m1/s1
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2]
InChI: InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51+;/m0./s1
SMILES: COC1=CC=CC=C1[C@H]2CN3[C@@H]([C@H]2CC(=O)OC)COC3=O
InChI: InChI=1S/C16H19NO5/c1-20-14-6-4-3-5-10(14)12-8-17-13(9-22-16(17)19)11(12)7-15(18)21-2/h3-6,11-13H,7-9H2,1-2H3/t11-,12+,13+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)Cl
InChI: InChI=1S/C30H22Cl2F6N2O6/c1-39-25(44)27(31)11-18-16(22(28(27,32)26(39)45)12-3-6-19(41)20(7-12)46-2)4-5-17-21(18)24(43)40(23(17)42)15-9-13(29(33,34)35)8-14(10-15)30(36,37)38/h3-4,6-10,17-18,21-22,41H,5,11H2,1-2H3/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)OC)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O4/c1-16-11-13-17(14-12-16)22-21-23(31-27(22)18-7-4-3-5-8-18)25(29)26(24(21)28)19-9-6-10-20(15-19)30-2/h3-15,21-23H,1-2H3/t21-,22-,23-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2CC[C@@H]([C@@H]1CC(C3=CC(=CC=C3)C(=O)OC)OC(=O)C)O2
InChI: InChI=1S/C21H26O7/c1-12(22)26-11-17-16(18-7-8-19(17)28-18)10-20(27-13(2)23)14-5-4-6-15(9-14)21(24)25-3/h4-6,9,16-20H,7-8,10-11H2,1-3H3/t16-,17+,18+,19-,20?/m1/s1
SMILES: CCCC=C=C1[C@@H]([C@H](CO[Si]1(C(C)(C)C)C(C)(C)C)O)CCC
InChI: InChI=1S/C20H38O2Si/c1-9-11-12-14-18-16(13-10-2)17(21)15-22-23(18,19(3,4)5)20(6,7)8/h12,16-17,21H,9-11,13,15H2,1-8H3/t14?,16-,17+/m1/s1
SMILES: C1CCN2[C@@H](C1)[C@](CC3=C2C=CC(=C3)[N+](=O)[O-])(C#N)C(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H18ClN3O3/c22-16-6-4-14(5-7-16)20(26)21(13-23)12-15-11-17(25(27)28)8-9-18(15)24-10-2-1-3-19(21)24/h4-9,11,19H,1-3,10,12H2/t19-,21-/m0/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)C[N+]4=CC=CC=C4)C(=O)[O-].CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI: InChI=1S/C22H22N6O7S2.C18H20FN5O4/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b26-13-;22-14+/t14-,18-;/m1./s1
SMILES: CC(C)(C)C(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N[C@H](CCCO)C(=O)NC(C)(C)C
InChI: InChI=1S/C29H52N2O9/c1-26(2,3)23(34)38-18-16-37-22(30-17(14-13-15-32)21(33)31-29(10,11)12)20(40-25(36)28(7,8)9)19(18)39-24(35)27(4,5)6/h17-20,22,30,32H,13-16H2,1-12H3,(H,31,33)/t17-,18+,19-,20+,22+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](OC(O1)(C)C)[C@@H](C(=O)N2CCCCC2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H37NO5/c1-21-24(31-19-22-13-7-4-8-14-22)25(34-28(2,3)33-21)26(27(30)29-17-11-6-12-18-29)32-20-23-15-9-5-10-16-23/h4-5,7-10,13-16,21,24-26H,6,11-12,17-20H2,1-3H3/t21-,24+,25-,26-/m0/s1
SMILES: CC(=O)OCN1C2=CC=CC=C2C3=C(C1=O)[C@@H]4[C@H](CC[C@@]5([C@H]4O5)C)C(O3)(C)C
InChI: InChI=1S/C22H25NO5/c1-12(24)26-11-23-15-8-6-5-7-13(15)18-17(20(23)25)16-14(21(2,3)27-18)9-10-22(4)19(16)28-22/h5-8,14,16,19H,9-11H2,1-4H3/t14-,16-,19-,22+/m0/s1
SMILES: CCOC1=CC=CC(=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCSCC
InChI: InChI=1S/C18H24N2O4S/c1-4-23-14-8-6-7-13(11-14)16-15(12(3)19-18(22)20-16)17(21)24-9-10-25-5-2/h6-8,11,15-16H,3-5,9-10H2,1-2H3,(H2,19,20,22)/t15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C20H27N5OS/c1-14-8-10-16(11-9-14)19-22-23-20(25(19)21)27-13-18(26)24-12-4-6-15-5-2-3-7-17(15)24/h8-11,15,17H,2-7,12-13,21H2,1H3/t15-,17-/m1/s1
SMILES: CC(C)[C@@H]1C[C@H]2[C@H](CCC(=O)N2[C@H]1C3=CC=CC=C3)O
InChI: InChI=1S/C17H23NO2/c1-11(2)13-10-14-15(19)8-9-16(20)18(14)17(13)12-6-4-3-5-7-12/h3-7,11,13-15,17,19H,8-10H2,1-2H3/t13-,14-,15-,17-/m0/s1
SMILES: C[C@H]1[C@H](CC2CC1C2(C)C)NC(=O)[C@@H]3[C@@H]([C@@H](ON3CC4=CC(=CC=C4)C5=CC(=CC=C5)C(=O)N[C@H](CC(C)C)CN(C)C)CO)[C@H](C)O
InChI: InChI=1S/C39H58N4O5/c1-23(2)15-31(21-42(7)8)40-37(46)29-14-10-13-28(17-29)27-12-9-11-26(16-27)20-43-36(35(25(4)45)34(22-44)48-43)38(47)41-33-19-30-18-32(24(33)3)39(30,5)6/h9-14,16-17,23-25,30-36,44-45H,15,18-22H2,1-8H3,(H,40,46)(H,41,47)/t24-,25+,30?,31-,32?,33+,34+,35-,36+/m1/s1
SMILES: CC(=O)CC[C@@H]1[C@H](OC2=C1C(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)OC
InChI: InChI=1S/C21H18O8/c1-8(22)3-4-10-16-14(29-21(10)28-2)7-12-17(20(16)27)19(26)15-11(18(12)25)5-9(23)6-13(15)24/h5-7,10,21,23-24,27H,3-4H2,1-2H3/t10-,21-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)C(=O)C4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI: InChI=1S/C29H27ClN4O/c1-19-8-13-26-23(16-19)24-17-32(2)15-14-27(24)34(26)29(35)25-18-33(22-6-4-3-5-7-22)31-28(25)20-9-11-21(30)12-10-20/h3-13,16,18,24,27H,14-15,17H2,1-2H3/t24-,27+/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O
InChI: InChI=1S/C9H16N3O13P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H2,10,11,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C33H31N5O5S/c1-21-29(20-44-33-35-36-37-38(33)27-14-16-28(40)17-15-27)42-32(43-30(21)23-12-10-22(19-39)11-13-23)25-8-5-9-26(18-25)34-31(41)24-6-3-2-4-7-24/h2-18,21,29-30,32,39-40H,19-20H2,1H3,(H,34,41)/t21-,29+,30+,32+/m1/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H]1O[C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C27H28O4/c1-4-10-20(11-5-1)17-28-25-23-16-24(26(25)29-18-21-12-6-2-7-13-21)31-27(23)30-19-22-14-8-3-9-15-22/h1-15,23-27H,16-19H2/t23-,24+,25+,26+,27-/m0/s1
SMILES: C[C@]12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)[C@@H]1CCC2=O
InChI: InChI=1S/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14?,16-,18-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@@H](C(=C(N2C1=O)C(=O)O)CSC3=NN=CS3)CO)O
InChI: InChI=1S/C13H15N3O5S2/c1-5(18)8-9-6(2-17)7(3-22-13-15-14-4-23-13)10(12(20)21)16(9)11(8)19/h4-6,8-9,17-18H,2-3H2,1H3,(H,20,21)/t5-,6-,8-,9-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)OC(=O)CO[N+](=O)[O-]
InChI: InChI=1S/C19H20N2O7.C17H19NO3/c1-20-7-6-19-11-3-5-14(27-15(23)9-26-21(24)25)18(19)28-17-13(22)4-2-10(16(17)19)8-12(11)20;1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,11-12,14,18,22H,6-9H2,1H3;2-5,10-11,13,16,19-20H,6-8H2,1H3/t11-,12+,14-,18-,19-;10-,11+,13-,16-,17-/m00/s1
SMILES: CCSP(=O)(O[C@H]1C[C@@H](O[C@@H]1COC2(C3=CC=CC=C3OC4=CC=CC=C42)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)C)OC7=CC=CC=C7Cl
InChI: InChI=1S/C37H34ClN2O8PS/c1-3-50-49(43,47-31-20-12-9-17-28(31)38)48-32-21-34(40-22-24(2)35(41)39-36(40)42)46-33(32)23-44-37(25-13-5-4-6-14-25)26-15-7-10-18-29(26)45-30-19-11-8-16-27(30)37/h4-20,22,32-34H,3,21,23H2,1-2H3,(H,39,41,42)/t32-,33+,34+,49?/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NC6=CC=CC7=C6NC8=C7C[C@]9([C@H]1CC2=C3[C@]9([C@H]8OC3=C(C=C2)O)CCN1CC1CC1)O
InChI: InChI=1S/C58H71N7O12/c1-64-22-18-55-47-33-12-14-39(66)51(47)76-53(55)38(16-17-57(55,72)41(64)24-33)62-46(71)31-75-29-44(69)60-21-6-4-2-3-5-20-59-43(68)28-74-30-45(70)61-37-9-7-8-35-36-26-58(73)42-25-34-13-15-40(67)52-48(34)56(58,19-23-65(42)27-32-10-11-32)54(77-52)50(36)63-49(35)37/h7-9,12-15,32,38,41-42,53-54,63,66-67,72-73H,2-6,10-11,16-31H2,1H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71)/t38-,41+,42+,53-,54-,55-,56-,57+,58+/m0/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22Cl2N2O2/c1-12(2)10-17-18-19(20(25-17)13-8-9-15(23)16(24)11-13)22(28)26(21(18)27)14-6-4-3-5-7-14/h3-9,11-12,17-20,25H,10H2,1-2H3/p+1/t17-,18-,19+,20+/m1/s1
SMILES: CCC(C)C1C(=O)C2([C@@H]([C@@]([C@H]3C=C[C@H]4C[C@H](C[C@H]([C@H]4[C@@H]3C2=O)C)C)(C)O)C)C(=O)N1C
InChI: InChI=1S/C26H39NO4/c1-8-14(3)21-23(29)26(24(30)27(21)7)16(5)25(6,31)18-10-9-17-12-13(2)11-15(4)19(17)20(18)22(26)28/h9-10,13-21,31H,8,11-12H2,1-7H3/t13-,14?,15+,16+,17-,18-,19+,20+,21?,25+,26?/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C
InChI: InChI=1S/C27H34FN5O2/c1-26-11-10-17-15(6-9-21-27(17,2)13-19(28)25(35)33(21)3)16(26)7-8-18(26)24(34)30-14-22-31-20-5-4-12-29-23(20)32-22/h4-5,12-13,15-18,21H,6-11,14H2,1-3H3,(H,30,34)(H,29,31,32)/t15?,16-,17?,18+,21+,26-,27+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N(C=O)[C@H](CCCCC(=O)OC)C(=O)NC2=CC=CC=C2CO[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C55H76N2O14Si/c1-52(2,3)48(61)66-34-41-43(69-49(62)53(4,5)6)44(70-50(63)54(7,8)9)45(71-51(64)55(10,11)12)47(68-41)57(35-58)40(31-23-24-32-42(59)65-13)46(60)56-39-30-22-21-25-36(39)33-67-72(14,37-26-17-15-18-27-37)38-28-19-16-20-29-38/h15-22,25-30,35,40-41,43-45,47H,23-24,31-34H2,1-14H3,(H,56,60)/t40-,41-,43+,44+,45-,47-/m1/s1
SMILES: CCOC(=O)C1=C(C2[C@H]3[C@@H](C1([C@H]4[C@@H]2C(=O)N(C4=O)CC5=CC=CC=C5)C)C(=O)N(C3=O)CC6=CC=CC=C6)C
InChI: InChI=1S/C31H30N2O6/c1-4-39-30(38)23-17(2)20-21-24(28(36)32(26(21)34)15-18-11-7-5-8-12-18)31(23,3)25-22(20)27(35)33(29(25)37)16-19-13-9-6-10-14-19/h5-14,20-22,24-25H,4,15-16H2,1-3H3/t20?,21-,22+,24+,25-,31?
SMILES: C[C@@H]1C[C@H]2[C@@H](C[C@@H]([C@@]1(C2=O)C(=O)OC(C)(C)C)C)O
InChI: InChI=1S/C15H24O4/c1-8-6-10-11(16)7-9(2)15(8,12(10)17)13(18)19-14(3,4)5/h8-11,16H,6-7H2,1-5H3/t8-,9+,10+,11-,15+/m1/s1
SMILES: CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4C)CCN)C(=O)O
InChI: InChI=1S/C22H27N9O7S2/c1-22(2,20(36)37)38-27-12(15-26-21(24)40-28-15)16(32)25-13-17(33)31-14(19(34)35)10(9-39-18(13)31)8-30-7-5-11(4-6-23)29(30)3/h5,7,13,18H,4,6,8-9,23H2,1-3H3,(H4-,24,25,26,28,32,34,35,36,37)/p+1/b27-12-/t13-,18-/m1/s1
SMILES: CC(CCCC(C)C(=O)O)[C@H]1C(=O)CC2[C@@]1(CCC3C2CCC4=CC(=O)C=C[C@]34C)C
InChI: InChI=1S/C27H38O4/c1-16(6-5-7-17(2)25(30)31)24-23(29)15-22-20-9-8-18-14-19(28)10-12-26(18,3)21(20)11-13-27(22,24)4/h10,12,14,16-17,20-22,24H,5-9,11,13,15H2,1-4H3,(H,30,31)/t16?,17?,20?,21?,22?,24-,26-,27-/m0/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)COS(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C32H44O8S/c1-6-32(4,5)31(35)40-28-16-22(19-38-41(36,37)26-12-7-20(2)8-13-26)15-23-10-9-21(3)27(30(23)28)14-11-25-17-24(33)18-29(34)39-25/h7-10,12-13,15,21-22,24-25,27-28,30,33H,6,11,14,16-19H2,1-5H3/t21-,22+,24+,25+,27-,28-,30-/m0/s1
SMILES: CC1=CC(=C2C(=C1)[C@@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)[O-])C
InChI: InChI=1S/C21H21NO2/c1-12-10-13(2)19-18(11-12)16-4-3-5-17(16)20(22-19)14-6-8-15(9-7-14)21(23)24/h3-4,6-11,16-17,20,22H,5H2,1-2H3,(H,23,24)/p-1/t16-,17-,20+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C16H21N3O5/c1-11-6-2-3-7-12(11)17-16(21)18-15(20)10-24-14-9-5-4-8-13(14)19(22)23/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H2,17,18,20,21)/t11-,12+/m0/s1
SMILES: C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)NN=NCCC3=CC=CC=C3)CO)O
InChI: InChI=1S/C17H21N5O5/c23-10-14-13(24)8-15(27-14)22-9-12(16(25)19-17(22)26)20-21-18-7-6-11-4-2-1-3-5-11/h1-5,9,13-15,23-24H,6-8,10H2,(H,18,20)(H,19,25,26)/t13-,14+,15+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CC[C@@]3(CCCC[C@@H]3C2)O
InChI: InChI=1S/C19H32N2O4/c1-18(2,3)25-17(23)21-11-6-8-15(21)16(22)20-12-10-19(24)9-5-4-7-14(19)13-20/h14-15,24H,4-13H2,1-3H3/t14-,15+,19-/m1/s1
SMILES: C[C@@]12CC[C@@]([C@H]1Br)(C2(C)C)C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C17H22BrNO/c1-15(2)16(3)9-10-17(15,13(16)18)14(20)19-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,20)/t13-,16+,17-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI: InChI=1S/C17H18Cl2N2O6/c1-9-5-14(22)10(11(9)7-21(25)26)6-16(24)27-8-15(23)20-13-4-2-3-12(18)17(13)19/h2-4,9-11H,5-8H2,1H3,(H,20,23)/t9-,10-,11-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CC=C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C13H17N5O4/c1-3-4-17-12(20)8(2)6-18(13(17)21)11-5-9(15-16-14)10(7-19)22-11/h3,6,9-11,19H,1,4-5,7H2,2H3/t9-,10+,11+/m0/s1
SMILES: COC(=O)N(CCOCCO)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C38H56N2O11/c1-3-19-49-38-33(40(37(45)46-2)15-21-47-22-18-43)25-31(39-51-34-12-6-9-20-48-34)29-23-26(10-4-7-16-41)28(11-5-8-17-42)35(36(29)38)30-24-27(44)13-14-32(30)50-38/h3,13-14,23-24,26,28,33-36,41-44H,1,4-12,15-22,25H2,2H3/t26-,28+,33-,34?,35+,36+,38+/m0/s1
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O
InChI: InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25?,29+,30-,31+,32+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C28H40O12/c1-12-17(33)10-27(25(6,7)35)20(12)21(34)23(38-14(3)30)26(8)18(37-13(2)29)9-19-28(11-36-19,40-16(5)32)22(26)24(27)39-15(4)31/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22?,23-,24-,26+,27-,28-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CSC5=CC=CC=C5
InChI: InChI=1S/C40H46N2O5S/c1-28-37(27-48-36-15-5-3-6-16-36)46-40(47-39(28)32-20-18-30(26-43)19-21-32)35-14-10-13-34(24-35)33-12-9-11-31(23-33)25-42-38(45)17-7-4-8-22-41-29(2)44/h3,5-6,9-16,18-21,23-24,28,37,39-40,43H,4,7-8,17,22,25-27H2,1-2H3,(H,41,44)(H,42,45)/t28-,37+,39+,40+/m1/s1
SMILES: CC(=O)OC[C@]1([C@H]([C@@H](C=C1[N+](=O)[O-])OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C12H15NO9/c1-6(14)20-5-12(17)10(13(18)19)4-9(21-7(2)15)11(12)22-8(3)16/h4,9,11,17H,5H2,1-3H3/t9-,11+,12+/m1/s1
SMILES: COC1=C(C=C(C2=C1OC(=O)[C@]23[C@H](OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)/C=C/C6=CC(=CC(=C6)O)O)O
InChI: InChI=1S/C30H22O10/c1-38-26-22(36)10-16(3-2-14-8-18(32)11-19(33)9-14)24-27(26)40-29(37)30(24)25-21(35)12-20(34)13-23(25)39-28(30)15-4-6-17(31)7-5-15/h2-13,28,31-36H,1H3/b3-2+/t28-,30-/m1/s1
SMILES: COC1=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=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C41H31Cl2F3N4O6/c1-3-20-4-11-25(12-5-20)49-36(52)27-14-13-26-28(33(27)38(49)54)18-29-37(53)50(48-35-30(43)17-23(19-47-35)41(44,45)46)39(55)40(29,22-7-9-24(42)10-8-22)34(26)21-6-15-31(51)32(16-21)56-2/h3-13,15-17,19,27-29,33-34,51H,1,14,18H2,2H3,(H,47,48)/t27-,28+,29-,33-,34-,40+/m0/s1
SMILES: [11CH3]NC1=CC=CC2=C1C[C@H]([C@@H](C2)O)N3CCC(CC3)C4=CC=CC=C4
InChI: InChI=1S/C22H28N2O/c1-23-20-9-5-8-18-14-22(25)21(15-19(18)20)24-12-10-17(11-13-24)16-6-3-2-4-7-16/h2-9,17,21-23,25H,10-15H2,1H3/t21-,22-/m1/s1/i1-1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=C(C=C34)F)O
InChI: InChI=1S/C20H23FO2/c1-3-20(23)9-7-16-14-5-4-12-10-18(22)17(21)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,22-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1
SMILES: C[C@]1\2CCC[C@@H]([C@@H]1CC/C2=C/CCCC(C)(C)OCOC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H48O3Si/c1-23(2,3)29(8,9)28-22-14-12-18-25(6)20(15-16-21(22)25)13-10-11-17-24(4,5)27-19-26-7/h13,21-22H,10-12,14-19H2,1-9H3/b20-13-/t21-,22-,25+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)Br)Cl)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O
InChI: InChI=1S/C18H18BrClN2O3/c1-8(16(23)21-11-4-5-12(19)13(20)7-11)22-17(24)14-9-2-3-10(6-9)15(14)18(22)25/h4-5,7-10,14-15H,2-3,6H2,1H3,(H,21,23)/t8-,9-,10+,14+,15-/m0/s1
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)N4CCC[C@H]4C(=O)OCC5=CC=CC=C5)C=C3)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C33H36N2O6/c36-30(34-17-7-13-26(34)32(38)40-20-22-9-3-1-4-10-22)28-24-15-16-25(19-24)29(28)31(37)35-18-8-14-27(35)33(39)41-21-23-11-5-2-6-12-23/h1-6,9-12,15-16,24-29H,7-8,13-14,17-21H2/t24-,25+,26-,27-,28+,29+/m0/s1
SMILES: CCOC(=O)C1=C(C=CC(=C1)[C@@H]2C=CC[C@H]([C@H]2O)O)O
InChI: InChI=1S/C15H18O5/c1-2-20-15(19)11-8-9(6-7-12(11)16)10-4-3-5-13(17)14(10)18/h3-4,6-8,10,13-14,16-18H,2,5H2,1H3/t10-,13+,14-/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+,18+,19-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[NH+]1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H17ClN2O4/c1-29-22(28)19-17-16(18-15-5-3-2-4-12(15)10-11-24(18)19)20(26)25(21(17)27)14-8-6-13(23)7-9-14/h2-11,16-19H,1H3/p+1/t16-,17+,18+,19-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5)O)OC)C(=O)N(C4=O)CCC(=O)O)Cl
InChI: InChI=1S/C25H24Cl2N2O8/c1-28-22(35)24(26)10-15-12(5-6-14-18(15)21(34)29(20(14)33)8-7-17(31)32)19(25(24,27)23(28)36)13-4-3-11(30)9-16(13)37-2/h3-5,9,14-15,18-19,30H,6-8,10H2,1-2H3,(H,31,32)/t14-,15+,18-,19+,24+,25-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C20H28N2O4/c1-13-7-9-16(10-8-13)20(25)21-11-19(24)26-12-18(23)22-17-6-4-5-14(2)15(17)3/h7-10,14-15,17H,4-6,11-12H2,1-3H3,(H,21,25)(H,22,23)/t14-,15+,17+/m0/s1
SMILES: C[C@H]1C[C@H]2C3CC=C4C=C(C=C[C@@]4([C@]35[C@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H34O7/c1-18-14-24-23-11-10-21-15-22(37-27(34)20-8-6-5-7-9-20)12-13-28(21,3)31(23)26(38-31)16-29(24,4)30(18,35)25(33)17-36-19(2)32/h5-10,12-13,15,18,23-24,26,35H,11,14,16-17H2,1-4H3/t18-,23?,24-,26+,28-,29-,30-,31+/m0/s1
SMILES: C1C[C@H](OC1)CN2C(=O)[C@H]3[C@@H]([NH2+][C@@]4([C@H]3C2=O)C5=CC=CC=C5NC4=O)CC(=O)N
InChI: InChI=1S/C20H22N4O5/c21-14(25)8-13-15-16(18(27)24(17(15)26)9-10-4-3-7-29-10)20(23-13)11-5-1-2-6-12(11)22-19(20)28/h1-2,5-6,10,13,15-16,23H,3-4,7-9H2,(H2,21,25)(H,22,28)/p+1/t10-,13-,15-,16+,20+/m0/s1
SMILES: CCN(CC)CCCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C28H35NO9/c1-3-29(4-2)12-5-13-36-17-8-6-16(7-9-17)19-15-37-27-18(23(19)32)10-11-20(31)22(27)28-26(35)25(34)24(33)21(14-30)38-28/h6-11,15,21,24-26,28,30-31,33-35H,3-5,12-14H2,1-2H3/t21-,24-,25+,26-,28+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C[C@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@H]2OC5=CC=CC=C5
InChI: InChI=1S/C26H24O6S/c1-18-12-14-21(15-13-18)33(27,28)24-16-22-23(32-26(24)30-20-10-6-3-7-11-20)17-29-25(31-22)19-8-4-2-5-9-19/h2-16,22-23,25-26H,17H2,1H3/t22-,23+,25?,26+/m0/s1
SMILES: CC1=CC2=C(C=C1)OC(=O)[C@@H]3[C@H]2C4=C(NC(=O)S4)S[C@H]3C(=O)O
InChI: InChI=1S/C15H11NO5S2/c1-5-2-3-7-6(4-5)8-9(14(19)21-7)11(13(17)18)22-12-10(8)23-15(20)16-12/h2-4,8-9,11H,1H3,(H,16,20)(H,17,18)/t8-,9+,11+/m0/s1
SMILES: CS(=O)(=O)OCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C1=O)O3
InChI: InChI=1S/C12H15NO6S/c1-20(16,17)18-6-2-5-13-11(14)9-7-3-4-8(19-7)10(9)12(13)15/h3-4,7-10H,2,5-6H2,1H3/t7-,8+,9+,10-
SMILES: CC1=C([C@H](C2=C(N1)C[C@H]([C@H](C2=O)C(=O)OC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl)C(=O)OC
InChI: InChI=1S/C27H26ClNO6/c1-14-21(26(31)34-3)22(16-5-9-17(28)10-6-16)24-20(29-14)13-19(23(25(24)30)27(32)35-4)15-7-11-18(33-2)12-8-15/h5-12,19,22-23,29H,13H2,1-4H3/t19-,22+,23+/m0/s1
SMILES: C[C@H](/C=C/[C@H]([C@@]1(CO1)C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C27H40O4/c1-17(7-12-25(30)27(4)16-31-27)22-10-11-23-19(6-5-13-26(22,23)3)8-9-20-14-21(28)15-24(29)18(20)2/h7-9,12,17,21-25,28-30H,2,5-6,10-11,13-16H2,1,3-4H3/b12-7+,19-8+,20-9-/t17-,21-,22-,23+,24+,25-,26-,27+/m1/s1