EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)NN=CC3=CC(=CC=C3)F
InChI: InChI=1S/C21H23FN2O/c1-21(2,3)16-9-7-15(8-10-16)18-12-19(18)20(25)24-23-13-14-5-4-6-17(22)11-14/h4-11,13,18-19H,12H2,1-3H3,(H,24,25)/t18-,19+/m0/s1
SMILES: CC1=C(C(=NN1C2CCOC2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CC=C(C=C4)C5=CN=CC=C5
InChI: InChI=1S/C26H31N3O7/c1-15-20(11-16-4-6-17(7-5-16)18-3-2-9-27-12-18)25(28-29(15)19-8-10-34-14-19)36-26-24(33)23(32)22(31)21(13-30)35-26/h2-7,9,12,19,21-24,26,30-33H,8,10-11,13-14H2,1H3/t19?,21-,22-,23+,24-,26+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O5/c1-12-7-6-8-13(2)18(12)22-19(25)14(3)28-17(24)11-23-20(26)15-9-4-5-10-16(15)21(23)27/h4-8,14-16H,9-11H2,1-3H3,(H,22,25)/t14-,15-,16-/m0/s1
SMILES: CC(C)[C@H]1C=C(C2=CCC[C@@H](C[C@]12C)OCC3=CC=CC=C3)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C30H48O2Si/c1-21(2)28-18-29(32-33(22(3)4,23(5)6)24(7)8)27-17-13-16-26(19-30(27,28)9)31-20-25-14-11-10-12-15-25/h10-12,14-15,17-18,21-24,26,28H,13,16,19-20H2,1-9H3/t26-,28+,30-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=NC=C5
InChI: InChI=1S/C23H19N3O4/c1-29-18-9-7-16(8-10-18)25-22(27)19-20(15-11-13-24-14-12-15)26(30-21(19)23(25)28)17-5-3-2-4-6-17/h2-14,19-21H,1H3/t19-,20-,21-/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C(C=C)O)[C@H](C=C(C=C)C=C)OCOC)C
InChI: InChI=1S/C17H26O5/c1-7-12(8-2)10-14(20-11-19-6)16-15(13(18)9-3)21-17(4,5)22-16/h7-10,13-16,18H,1-3,11H2,4-6H3/t13?,14-,15-,16+/m0/s1
SMILES: C1CC(=O)[C@H]2[C@@H](N3C(=NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])NC2=C1)C5=CC=CO5
InChI: InChI=1S/C20H17N5O4S/c26-15-4-1-3-14-17(15)18(16-5-2-10-29-16)24-19(21-14)22-20(23-24)30-11-12-6-8-13(9-7-12)25(27)28/h2-3,5-10,17-18H,1,4,11H2,(H,21,22,23)/t17-,18-/m0/s1
SMILES: CCC(C)C(=O)O[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C
InChI: InChI=1S/C26H40O3/c1-6-16(2)24(28)29-17(3)19-10-11-20-18-15-23(27)22-9-7-8-13-25(22,4)21(18)12-14-26(19,20)5/h7-8,16-22H,6,9-15H2,1-5H3/t16?,17-,18+,19-,20+,21+,22-,25-,26-/m1/s1
SMILES: CCCCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)C3CCCC3
InChI: InChI=1S/C29H43IN2O7/c1-3-4-5-8-12-32(29(37)20-9-6-7-10-20)23-16-21(28(36)31-11-13-33)17-24(26(23)35)39-27-22(30)14-19(18-34)15-25(27)38-2/h14-15,17,20,23-24,26,33-35H,3-13,16,18H2,1-2H3,(H,31,36)/t23-,24+,26+/m1/s1
SMILES: CC(C)(C)OC(=O)CN(C[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]2N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChI: InChI=1S/C45H74N4O12/c1-41(2,3)57-36(50)26-46(27-37(51)58-42(4,5)6)33(24-31-20-22-32(23-21-31)49(55)56)25-47(28-38(52)59-43(7,8)9)34-18-16-17-19-35(34)48(29-39(53)60-44(10,11)12)30-40(54)61-45(13,14)15/h20-23,33-35H,16-19,24-30H2,1-15H3/t33-,34+,35+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C)[C@@](N2)(CCSC)C(=O)OC
InChI: InChI=1S/C19H24N2O4S/c1-11-5-7-12(8-6-11)15-13-14(17(23)21(2)16(13)22)19(20-15,9-10-26-4)18(24)25-3/h5-8,13-15,20H,9-10H2,1-4H3/t13-,14+,15-,19+/m1/s1
SMILES: C[C@@H]1[C@H](OC(=O)N1C(=O)NC2CCCCC2C)C3=CC=C(C=C3)C
InChI: InChI=1S/C19H26N2O3/c1-12-8-10-15(11-9-12)17-14(3)21(19(23)24-17)18(22)20-16-7-5-4-6-13(16)2/h8-11,13-14,16-17H,4-7H2,1-3H3,(H,20,22)/t13?,14-,16?,17+/m1/s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C5CCCC5
InChI: InChI=1S/C24H34N4O/c1-3-27(4-2)24(29)26-17-13-20-19-10-7-11-21-23(19)16(14-25-21)12-22(20)28(15-17)18-8-5-6-9-18/h7,10-11,14,17-18,20,22,25H,3-6,8-9,12-13,15H2,1-2H3,(H,26,29)/t17-,20+,22+/m0/s1
SMILES: C/C=C/C=C/C(=O)C1(S(=O)[C@H]2N(C(=C1C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[C@H]2NC(=O)COC5=CC=CC=C5)C(=O)/C=C/C=C/C
InChI: InChI=1S/C41H38N2O8S/c1-4-6-11-25-32(44)41(33(45)26-12-7-5-2)28(3)36(40(48)51-37(29-19-13-8-14-20-29)30-21-15-9-16-22-30)43-38(47)35(39(43)52(41)49)42-34(46)27-50-31-23-17-10-18-24-31/h4-26,35,37,39H,27H2,1-3H3,(H,42,46)/b6-4+,7-5+,25-11+,26-12+/t35-,39-,52?/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@]3([C@H](CN=N3)C4=CC=CC=C4O2)[N+](=O)[O-]
InChI: InChI=1S/C17H15N3O3/c1-11-6-8-12(9-7-11)16-17(20(21)22)14(10-18-19-17)13-4-2-3-5-15(13)23-16/h2-9,14,16H,10H2,1H3/t14-,16+,17+/m1/s1
SMILES: C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H23ClN2O5/c1-12(18(25)22-16-9-5-4-8-15(16)21)28-17(24)10-11-23-19(26)13-6-2-3-7-14(13)20(23)27/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,22,25)/t12-,13+,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=O)C4)CC#N
InChI: InChI=1S/C20H25NO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,15-17H,3-10,12H2,1H3/t15-,16-,17-,19-,20+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)[C@@H]2CN3CCC4=CC(=C(C=C4[C@H]3C[C@H]2N)OC)OS(=O)(=O)C.Cl
InChI: InChI=1S/C23H30N2O4S.ClH/c1-14-5-6-15(2)17(9-14)19-13-25-8-7-16-10-23(29-30(4,26)27)22(28-3)11-18(16)21(25)12-20(19)24;/h5-6,9-11,19-21H,7-8,12-13,24H2,1-4H3;1H/t19-,20+,21+;/m0./s1
SMILES: C[C@@H]1C(=O)[C@H]2[C@@H]3[C@]2([C@]1(CC3)CCCO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H34O2Si/c1-13-16(20)15-14-9-11-19(13,18(14,15)5)10-8-12-21-22(6,7)17(2,3)4/h13-15H,8-12H2,1-7H3/t13-,14-,15-,18-,19+/m1/s1
SMILES: C[C@@H]1C(=O)O[C@@H]2C=C[C@@]3(C(=O)O[C@@H]4[C@]35[C@]2([C@@]1(C[C@@](O4)(O5)C6=COC=C6)O)C)C
InChI: InChI=1S/C20H20O8/c1-10-13(21)25-12-4-6-16(2)14(22)26-15-20(16)17(12,3)18(10,23)9-19(27-15,28-20)11-5-7-24-8-11/h4-8,10,12,15,23H,9H2,1-3H3/t10-,12-,15+,16-,17-,18+,19-,20-/m1/s1
SMILES: CCCCCCCCCCCCCCOCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)[O-])O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])O)O)NC(=O)C)O)OCCCCCCCCCCCCCC.[Na+].[Na+]
InChI: InChI=1S/C45H87NO19S2.2Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-58-30-35(59-29-27-25-23-21-19-17-15-13-11-9-7-5-2)31-60-45-42(51)43(40(49)37(64-45)33-62-67(55,56)57)65-44-38(46-34(3)47)41(50)39(48)36(63-44)32-61-66(52,53)54;;/h35-45,48-51H,4-33H2,1-3H3,(H,46,47)(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2/t35?,36-,37-,38-,39-,40+,41-,42-,43+,44-,45-;;/m1../s1
SMILES: C[C@H]1[C@@H](N(C(=O)O1)C)[C@H](CC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H18N2O6/c1-4-5-13(14-10(2)23-16(20)17(14)3)24-15(19)11-6-8-12(9-7-11)18(21)22/h4,6-10,13-14H,1,5H2,2-3H3/t10-,13-,14+/m0/s1
SMILES: C1[C@H]([C@@H](C(=O)C[C@@]1(C(=O)OCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C14H16O6/c15-10-6-14(19,7-11(16)12(10)17)13(18)20-8-9-4-2-1-3-5-9/h1-5,10,12,15,17,19H,6-8H2/t10-,12+,14+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@](C(=O)N2C(=O)C3=CC=CC=C3)(S(=O)(=O)C4=CC=CC=C4)Cl
InChI: InChI=1S/C22H16ClNO4S/c23-22(29(27,28)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)24(21(22)26)20(25)17-12-6-2-7-13-17/h1-15,19H/t19-,22+/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C3([C@@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)F
InChI: InChI=1S/C35H24FNO5/c1-20(38)42-25-17-12-23(13-18-25)32(39)31-30(22-10-15-24(36)16-11-22)35(33(40)26-7-3-4-8-27(26)34(35)41)29-19-14-21-6-2-5-9-28(21)37(29)31/h2-19,29-31H,1H3/t29-,30-,31+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)[NH2+][C@@H](C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C17H21N3O4/c21-16(18-10-5-6-14-15(7-10)24-9-23-14)8-13-17(22)20-12-4-2-1-3-11(12)19-13/h5-7,11-13,19H,1-4,8-9H2,(H,18,21)(H,20,22)/p+1/t11-,12-,13+/m0/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(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C=C4)O)O)O
InChI: InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25?,29-/m1/s1
SMILES: C[C@]12CC(=O)[C@H]3C[C@]1(O[C@H]([C@H]3CSCCCC4=CC=CC=C4)O2)O
InChI: InChI=1S/C19H24O4S/c1-18-11-16(20)14-10-19(18,21)23-17(22-18)15(14)12-24-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-15,17,21H,5,8-12H2,1H3/t14-,15-,17+,18-,19+/m0/s1
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)[C@H]3CC(=CC[C@H]3C(=O)[O-])Cl)C#N
InChI: InChI=1S/C17H17ClN2O3S/c18-9-5-6-11(17(22)23)12(7-9)15(21)20-16-13(8-19)10-3-1-2-4-14(10)24-16/h5,11-12H,1-4,6-7H2,(H,20,21)(H,22,23)/p-1/t11-,12+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N2C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4
InChI: InChI=1S/C22H16N2OS/c25-22(16-11-5-2-6-12-16)24-19(15-9-3-1-4-10-15)20(24)21-23-17-13-7-8-14-18(17)26-21/h1-14,19-20H/t19-,20+,24?/m1/s1
SMILES: CCOC(=O)N(CC1=C(C=C(C=C1)OC)OC)C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6)O)C)C)O
InChI: InChI=1S/C47H55NO7/c1-6-55-45(51)48(30-37-20-22-39(53-4)29-43(37)54-5)31-47(52)26-24-42-40-23-15-33(27-38(49)21-14-32(2)11-10-25-46(42,47)3)28-41(40)44(50)36-18-16-35(17-19-36)34-12-8-7-9-13-34/h7-9,11-13,15-20,22-23,28-29,38,42,49,52H,6,10,14,21,24-27,30-31H2,1-5H3/t38-,42-,46-,47+/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)CN)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C27H29NO5S/c1-17-24(16-34-23-12-10-21(11-13-23)26(30)31)32-27(22-8-2-18(14-28)3-9-22)33-25(17)20-6-4-19(15-29)5-7-20/h2-13,17,24-25,27,29H,14-16,28H2,1H3,(H,30,31)/t17-,24+,25+,27+/m0/s1
SMILES: CC(=O)N[C@H]1CCN(C1)C(=O)C[C@@H]2[C@@H](CC[C@@H]3[C@]2(CC[C@H]([C@@]3(C)CO)OC(=O)NC4=CC=C(C=C4)OC)C)O
InChI: InChI=1S/C29H43N3O7/c1-18(34)30-20-12-14-32(16-20)26(36)15-22-23(35)9-10-24-28(22,2)13-11-25(29(24,3)17-33)39-27(37)31-19-5-7-21(38-4)8-6-19/h5-8,20,22-25,33,35H,9-17H2,1-4H3,(H,30,34)(H,31,37)/t20-,22+,23+,24+,25+,28-,29-/m0/s1
SMILES: C=CCN1C(=O)C2=C(N=C1S[C@H]3CS(=O)(=O)C[C@H]3O)SC4=C2CCCC4
InChI: InChI=1S/C17H20N2O4S3/c1-2-7-19-16(21)14-10-5-3-4-6-12(10)24-15(14)18-17(19)25-13-9-26(22,23)8-11(13)20/h2,11,13,20H,1,3-9H2/t11-,13+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCCC(=O)NCCC3=CC=CC=C3
InChI: InChI=1S/C20H24N2O3/c23-18(21-13-12-15-7-2-1-3-8-15)11-6-14-22-19(24)16-9-4-5-10-17(16)20(22)25/h1-5,7-8,16-17H,6,9-14H2,(H,21,23)/t16-,17-/m0/s1
SMILES: C1CCCCC[C@@]2([C@@H](CCCC1)[C@@]3(C(=N2)C(CC3(C#N)C#N)C=O)C#N)O
InChI: InChI=1S/C21H26N4O2/c22-13-19(14-23)11-16(12-26)18-20(19,15-24)17-9-7-5-3-1-2-4-6-8-10-21(17,27)25-18/h12,16-17,27H,1-11H2/t16?,17-,20+,21-/m0/s1
SMILES: CC(C)(C)[Si]1([C@H]([C@H]2[C@@H](CC[C@H]2O1)CO)C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C21H34O2Si/c1-20(2,3)24(21(4,5)6)19(15-10-8-7-9-11-15)18-16(14-22)12-13-17(18)23-24/h7-11,16-19,22H,12-14H2,1-6H3/t16-,17+,18-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=C(C=C2)OCC#N)/C#N
InChI: InChI=1S/C19H21N3O2/c1-14-4-2-3-5-18(14)22-19(23)16(13-21)12-15-6-8-17(9-7-15)24-11-10-20/h6-9,12,14,18H,2-5,11H2,1H3,(H,22,23)/b16-12+/t14-,18+/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@@H]3CCCC[C@]3(CCN2C(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C26H34N2O2/c1-3-27(4-2)22-15-13-20(14-16-22)24-23-12-8-9-17-26(23,30)18-19-28(24)25(29)21-10-6-5-7-11-21/h5-7,10-11,13-16,23-24,30H,3-4,8-9,12,17-19H2,1-2H3/t23-,24+,26+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4
InChI: InChI=1S/C24H19NO6/c26-20-11-15(22-16-6-2-1-5-14(16)9-10-19(22)31-20)13-30-21(27)12-25-23(28)17-7-3-4-8-18(17)24(25)29/h1-6,9-11,17-18H,7-8,12-13H2/t17-,18+
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@H]2CC[C@]4([C@@H]3C/C(=C\C5=CC=CS5)/C4=O)C
InChI: InChI=1S/C24H32OS/c1-23-11-4-3-6-17(23)8-9-19-20(23)10-12-24(2)21(19)15-16(22(24)25)14-18-7-5-13-26-18/h5,7,13-14,17,19-21H,3-4,6,8-12,15H2,1-2H3/b16-14+/t17-,19-,20-,21-,23+,24+/m1/s1
SMILES: C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@H]([C@H](N2[C@H]([C@@]13C4=CC=CC=C4N(C3=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C46H40N4O10/c1-2-24-47-42(52)37-39-43(53)60-40(31-14-7-4-8-15-31)38(30-12-5-3-6-13-30)49(39)41(32-16-11-17-34(27-32)58-26-25-51)46(37)35-18-9-10-19-36(35)48(44(46)54)45(55)59-28-29-20-22-33(23-21-29)50(56)57/h2-23,27,37-41,51H,1,24-26,28H2,(H,47,52)/t37-,38-,39-,40+,41+,46-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11+,12+,13?,14+/m1/s1
SMILES: COC1=CC=C(C=C1)OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C17H22N2O6/c1-24-11-6-8-12(9-7-11)25-10-15(20)18-19-16(21)13-4-2-3-5-14(13)17(22)23/h6-9,13-14H,2-5,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t13-,14+/m0/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)C[C@H](CC2=O)C3=CC=CS3)C4=CC=CS4)C(=O)OC[C@@H]5CCCO5
InChI: InChI=1S/C24H25NO4S2/c1-14-21(24(27)29-13-16-5-2-8-28-16)23(20-7-4-10-31-20)22-17(25-14)11-15(12-18(22)26)19-6-3-9-30-19/h3-4,6-7,9-10,15-16,22-23H,2,5,8,11-13H2,1H3/t15-,16+,22+,23-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)CCOCCOCCO
InChI: InChI=1S/C36H46N4O8/c1-5-47-36-28(14-17-45-19-20-46-18-16-41)30(33-24(2)39(3)40(35(33)43)26-9-7-6-8-10-26)22-32(48-36)34(42)37-15-13-25-23-38-31-12-11-27(44-4)21-29(25)31/h6-12,21-23,28,30,36,38,41H,5,13-20H2,1-4H3,(H,37,42)/t28-,30+,36-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3
InChI: InChI=1S/C18H24N2O5S/c1-12-11-16(12)18(22)25-13(2)17(21)19-14-5-7-15(8-6-14)26(23,24)20-9-3-4-10-20/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,19,21)/t12-,13-,16-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C24H26N2O5/c1-14-4-10-18-19(12-14)24(29)26(23(18)28)16-7-5-15(6-8-16)22(27)25-20-11-9-17(30-2)13-21(20)31-3/h5-9,11,13-14,18-19H,4,10,12H2,1-3H3,(H,25,27)/t14-,18-,19+/m0/s1
SMILES: C[C@]12C[C@H]([C@H]3[C@H]1C(=O)N(C3=O)C4=CC=CC=C4)C5(C2)OCCO5
InChI: InChI=1S/C18H19NO4/c1-17-9-12(18(10-17)22-7-8-23-18)13-14(17)16(21)19(15(13)20)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+,17-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)OC
InChI: InChI=1S/C18H20N2O5/c1-24-11-7-8-14(15(9-11)25-2)19-16(21)10-20-17(22)12-5-3-4-6-13(12)18(20)23/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,19,21)/t12-,13-/m0/s1
SMILES: C[C@@H]1CCCN([C@H]1C)S(=O)(=O)C2=C(C=C3C(=C2)OC(=O)N3C)Cl
InChI: InChI=1S/C15H19ClN2O4S/c1-9-5-4-6-18(10(9)2)23(20,21)14-8-13-12(7-11(14)16)17(3)15(19)22-13/h7-10H,4-6H2,1-3H3/t9-,10+/m1/s1
SMILES: C1[C@@H]([C@@H]1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H12ClF4NO/c18-11-4-1-9(2-5-11)12-8-13(12)16(24)23-15-7-10(17(20,21)22)3-6-14(15)19/h1-7,12-13H,8H2,(H,23,24)/t12-,13-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)O)C5=C(C=CC(=C5)C#CCN6C7=CC=CC=C7N=N6)NC4=O)C8=CC=C(C=C8)O)C9=CC=CC=C9
InChI: InChI=1S/C42H31N5O6/c48-29-20-18-28(19-21-29)38-42(30-24-25(17-22-31(30)43-41(42)52)10-9-23-46-33-16-8-7-15-32(33)44-45-46)34(39(49)50)36-40(51)53-37(27-13-5-2-6-14-27)35(47(36)38)26-11-3-1-4-12-26/h1-8,11-22,24,34-38,48H,23H2,(H,43,52)(H,49,50)/t34-,35-,36-,37+,38+,42-/m0/s1
SMILES: C1=CC(=CN=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H12Cl2F3N3O3/c18-9-3-4-10(11(19)6-9)13-12(14(26)8-2-1-5-23-7-8)16(28,17(20,21)22)25-15(27)24-13/h1-7,12-13,28H,(H2,24,25,27)/t12-,13+,16-/m0/s1
SMILES: CC1=C(C(=CN1C2CCOC2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CC=C(C=C4)C(C)C
InChI: InChI=1S/C25H35NO7/c1-14(2)17-6-4-16(5-7-17)10-19-15(3)26(18-8-9-31-13-18)11-20(19)32-25-24(30)23(29)22(28)21(12-27)33-25/h4-7,11,14,18,21-25,27-30H,8-10,12-13H2,1-3H3/t18?,21-,22-,23+,24-,25-/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(C(=O)C3)C5=CC=CC=C5N4C(=C2)C(=O)OC
InChI: InChI=1S/C21H22N2O3/c1-3-21-9-6-10-22-12-16(24)17-13-7-4-5-8-14(13)23(18(17)19(21)22)15(11-21)20(25)26-2/h4-5,7-8,11,19H,3,6,9-10,12H2,1-2H3/t19-,21+/m1/s1
SMILES: C[C@]1([C@H]2C[Si](O[C@H]2[C@@H]([C@H]1OCC3=CC=CC=C3)OC)(C)C)CC=C
InChI: InChI=1S/C20H30O3Si/c1-6-12-20(2)16-14-24(4,5)23-17(16)18(21-3)19(20)22-13-15-10-8-7-9-11-15/h6-11,16-19H,1,12-14H2,2-5H3/t16-,17+,18-,19+,20+/m0/s1
SMILES: CC1=C(C=CO1)C(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C17H21N3O5/c1-10-11(7-9-25-10)15(22)19-18-14(21)6-8-20-16(23)12-4-2-3-5-13(12)17(20)24/h7,9,12-13H,2-6,8H2,1H3,(H,18,21)(H,19,22)/t12-,13+
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](O[C@@]2([C@]1(OC2)C#C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=CC(=O)NC6=O
InChI: InChI=1S/C42H47N4O9P/c1-8-41-37(55-56(53-26-12-24-43)46(29(2)3)30(4)5)38(45-25-23-36(47)44-39(45)48)54-40(41,27-51-41)28-52-42(31-13-10-9-11-14-31,32-15-19-34(49-6)20-16-32)33-17-21-35(50-7)22-18-33/h1,9-11,13-23,25,29-30,37-38H,12,26-28H2,2-7H3,(H,44,47,48)/t37-,38+,40+,41-,56?/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)C4=CC=CC(=C4)CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C46H55N3O8/c1-30-40(28-49-24-10-15-39(49)43(52)57-46(2,3)4)55-44(56-41(30)35-18-16-32(29-50)17-19-35)36-22-20-34(21-23-36)37-14-9-13-33(25-37)27-47-45(53)48-38(42(51)54-5)26-31-11-7-6-8-12-31/h6-9,11-14,16-23,25,30,38-41,44,50H,10,15,24,26-29H2,1-5H3,(H2,47,48,53)/t30-,38+,39+,40+,41+,44+/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C(C)C
InChI: InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-32H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,21+,23-,24+,25+,26-,27-,28-,29+/m1/s1
SMILES: CC1=C(C=C(C=C1)F)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C16H16FNO3/c1-8-2-5-11(17)7-12(8)18-15(19)13-9-3-4-10(6-9)14(13)16(20)21/h2-5,7,9-10,13-14H,6H2,1H3,(H,18,19)(H,20,21)/p-1/t9-,10+,13-,14+/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)CC[C@@H](CCC3=CC=CC=C3)O)O
InChI: InChI=1S/C18H24O4/c19-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)22-17(15)11-16(14)20/h1-5,13-17,19-20H,6-11H2/t13-,14-,15-,16-,17+/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=C(C=C5)C=CCC6=CC=CC=C6O)OC7(O4)CC8=CC=CC=C8C7)O
InChI: InChI=1S/C47H55N3O12/c1-27(52)37(42(55)48-33(26-51)20-21-36(54)59-45(2,3)4)49-44(57)47-24-35-38-39(61-46(60-38)22-31-12-5-6-13-32(31)23-46)41(47)62-50(40(47)43(56)58-35)25-29-18-16-28(17-19-29)10-9-14-30-11-7-8-15-34(30)53/h5-13,15-19,27,33,35,37-41,51-53H,14,20-26H2,1-4H3,(H,48,55)(H,49,57)/t27-,33-,35+,37+,38-,39-,40-,41+,47-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=C(C=C(C=C6)OC)O
InChI: InChI=1S/C32H23F6NO6/c1-13-7-23(40)22-12-21-18(25(27(22)28(13)42)19-4-3-17(45-2)11-24(19)41)5-6-20-26(21)30(44)39(29(20)43)16-9-14(31(33,34)35)8-15(10-16)32(36,37)38/h3-5,7-11,20-21,25-26,41H,6,12H2,1-2H3/t20-,21+,25+,26-/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C16H17NO3/c1-10-4-3-5-13-14(10)16(19)17(15(13)18)11-6-8-12(20-2)9-7-11/h3-4,6-10,13-14H,5H2,1-2H3/t10-,13-,14+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(C[C@H](C(=O)[C@H]4O5)C#N)C
InChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h11-15,17,22H,3-9H2,1-2H3/t11-,12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C(=O)OC7=CC8=CC=CC=C8C=C7)O)C(=C5)C(=O)C9=CC1=CC=CC=C1S9)O)C
InChI: InChI=1S/C49H49NO5S/c1-45-21-18-36(51)28-47(45)24-25-49(38(29-47)43(52)40-27-35-14-8-9-15-39(35)56-40)41(45)19-22-46(2)42(49)20-23-48(46,54)31-50(30-32-10-4-3-5-11-32)44(53)55-37-17-16-33-12-6-7-13-34(33)26-37/h3-17,24-27,29,36,41-42,51,54H,18-23,28,30-31H2,1-2H3/t36?,41-,42-,45-,46+,47+,48-,49-/m1/s1
SMILES: CC(=CCC1=C2C3=C([C@]4(C(C3)CC[C@@]5([C@@]4(CC=C6C57C(O7)C8C(O6)C(OC(O8)C9C(O9)(C)C)(C)C)C)O)C)NC2=CC=C1)C
InChI: InChI=1S/C37H47NO6/c1-19(2)12-13-20-10-9-11-23-25(20)22-18-21-14-17-36(39)34(7,35(21,8)27(22)38-23)16-15-24-37(36)29(43-37)26-28(40-24)32(3,4)44-31(41-26)30-33(5,6)42-30/h9-12,15,21,26,28-31,38-39H,13-14,16-18H2,1-8H3/t21?,26?,28?,29?,30?,31?,34-,35-,36+,37?/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C
InChI: InChI=1S/C21H28O3/c1-13(22)24-20-9-8-19-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18+,19+,20+,21-/m0/s1
SMILES: C[C@@]12CC[NH+]([C@@H]1[NH+](C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)[O-])[O-]
InChI: InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=CC=C4)C)C(C)C
InChI: InChI=1S/C26H33N2O2/c1-18(2)21-15-14-19(3)16-24(21)30-25(29)17-28-23-13-9-8-12-22(23)27(4)26(28)20-10-6-5-7-11-20/h5-13,18-19,21,24H,14-17H2,1-4H3/q+1/t19-,21-,24-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)C(=O)CC6=CC(=C(C=C6)OC)OC)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC9=CC=CC=C9S8)C
InChI: InChI=1S/C52H63NO6S/c1-33-8-7-18-50(2)43(41-15-12-34(23-40(54)14-11-33)24-42(41)49(56)47-27-39-9-5-6-10-46(39)60-47)17-19-52(50,57)32-53(31-51-28-36-20-37(29-51)22-38(21-36)30-51)48(55)26-35-13-16-44(58-3)45(25-35)59-4/h5-6,8-10,12-13,15-16,24-25,27,36-38,40,43,54,57H,7,11,14,17-23,26,28-32H2,1-4H3/t36?,37?,38?,40-,43-,50-,51?,52+/m0/s1
SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@@H]4C[C@H]4C5=CC=CC=C5
InChI: InChI=1S/C27H28N2O/c30-27(25-20-24(25)21-10-4-1-5-11-21)29-18-16-28(17-19-29)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)CN4CCCC5=CC=CC=C54)CO)C
InChI: InChI=1S/C22H27N3O6/c1-22(2)30-17-16(12-26)29-20(18(17)31-22)25-11-14(19(27)23-21(25)28)10-24-9-5-7-13-6-3-4-8-15(13)24/h3-4,6,8,11,16-18,20,26H,5,7,9-10,12H2,1-2H3,(H,23,27,28)/t16-,17-,18-,20-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1[C@H](C(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@]46CC[C@](C5(C)C)(OC6)O)C)C)C(=O)O)(C)C)O
InChI: InChI=1S/C35H52O7/c1-9-20(2)27(37)42-26-25(36)29(3,4)18-22-21-10-11-24-32(8,31(21,7)14-16-34(22,26)28(38)39)13-12-23-30(5,6)35(40)17-15-33(23,24)19-41-35/h9-10,22-26,36,40H,11-19H2,1-8H3,(H,38,39)/b20-9-/t22-,23-,24-,25+,26+,31+,32+,33+,34-,35+/m0/s1
SMILES: COC(=O)C1=CC(=CC(=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2)C(=O)OC
InChI: InChI=1S/C20H25N3O6/c1-28-19(26)11-7-12(20(27)29-2)9-13(8-11)21-17(24)10-16-18(25)23-15-6-4-3-5-14(15)22-16/h7-9,14-16,22H,3-6,10H2,1-2H3,(H,21,24)(H,23,25)/t14-,15-,16-/m0/s1
SMILES: C[C@H]1[C@H]2C[C@@H]([C@]1(C)NC(=O)C)[C@H](C2(C)C)C
InChI: InChI=1S/C14H25NO/c1-8-12-7-11(13(8,4)5)9(2)14(12,6)15-10(3)16/h8-9,11-12H,7H2,1-6H3,(H,15,16)/t8-,9+,11-,12-,14-/m1/s1
SMILES: CC1=C(C=C(C=C1)OCC(=O)N/N=C\2/C[C@H]3[C@H]2CC=C3)C
InChI: InChI=1S/C17H20N2O2/c1-11-6-7-14(8-12(11)2)21-10-17(20)19-18-16-9-13-4-3-5-15(13)16/h3-4,6-8,13,15H,5,9-10H2,1-2H3,(H,19,20)/b18-16-/t13-,15+/m0/s1
SMILES: CC[C@H]1CO[C@@H]1[C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CSC=N3)NC(=O)[C@@H](CC4=CC=CC=C4)CS(=O)(=O)N5CCN(CC5)C)O
InChI: InChI=1S/C35H53N5O6S2/c1-3-27-21-46-33(27)32(41)30(19-26-12-8-5-9-13-26)37-35(43)31(20-29-22-47-24-36-29)38-34(42)28(18-25-10-6-4-7-11-25)23-48(44,45)40-16-14-39(2)15-17-40/h4,6-7,10-11,22,24,26-28,30-33,41H,3,5,8-9,12-21,23H2,1-2H3,(H,37,43)(H,38,42)/t27-,28-,30-,31-,32-,33-/m0/s1
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OC3=CC=CC(=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N
InChI: InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C4=CC(N(C4(C)C)O)(C)C)CCC5=CC(=O)CC[C@]35C
InChI: InChI=1S/C30H43NO5/c1-27(2)16-24(28(3,4)31(27)35)26(34)36-17-25(33)23-10-9-21-20-8-7-18-15-19(32)11-13-29(18,5)22(20)12-14-30(21,23)6/h15-16,20-23,35H,7-14,17H2,1-6H3/t20-,21-,22-,23+,29-,30-/m0/s1
SMILES: C[C@@H]1CS(=O)(=O)C[C@H]1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI: InChI=1S/C11H13NO7S2/c1-8-6-20(15,16)7-11(8)19-21(17,18)10-4-2-3-9(5-10)12(13)14/h2-5,8,11H,6-7H2,1H3/t8-,11-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCN6CC6)CCCCO)CCCCO)N(CCOCCO)C(=O)C7=CC=C(C=C7)C#N
InChI: InChI=1S/C50H61N5O11/c1-2-26-64-50-46(54(22-27-62-29-25-58)49(59)37-13-9-35(33-51)10-14-37)32-44(52-65-34-36-11-15-39(16-12-36)55(60)61)42-30-38(7-3-5-23-56)41(8-4-6-24-57)47(48(42)50)43-31-40(17-18-45(43)66-50)63-28-21-53-19-20-53/h2,9-18,30-31,38,41,46-48,56-58H,1,3-8,19-29,32,34H2/t38-,41+,46-,47+,48+,50+/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)CC5=C6C=CC=CC6=CC7=CC=CC=C75)O
InChI: InChI=1S/C35H35N2O2/c1-3-23-21-37(22-32-28-10-6-4-8-25(28)18-26-9-5-7-11-29(26)32)17-15-24(23)19-34(37)35(38)30-14-16-36-33-13-12-27(39-2)20-31(30)33/h3-14,16,18,20,23-24,34-35,38H,1,15,17,19,21-22H2,2H3/q+1/t23-,24-,34+,35-,37-/m0/s1