EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)N[C@H](C)C5=CC=CC=C5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC8=CC=CC=C8S7)C
InChI: InChI=1S/C51H54N2O4S/c1-34-13-12-27-50(3)45(43-25-23-36(29-41(54)24-22-34)30-44(43)48(55)47-31-39-17-8-10-21-46(39)58-47)26-28-51(50,57)33-53(49(56)52-35(2)37-14-5-4-6-15-37)32-40-19-11-18-38-16-7-9-20-42(38)40/h4-11,13-21,23,25,30-31,35,41,45,54,57H,12,22,24,26-29,32-33H2,1-3H3,(H,52,56)/t35-,41+,45+,50+,51-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](C)C3=CC4=CC=CC=C4O3
InChI: InChI=1S/C21H25N3O4/c1-13-7-5-6-10-21(13)19(26)24(20(27)23-21)12-18(25)22-14(2)17-11-15-8-3-4-9-16(15)28-17/h3-4,8-9,11,13-14H,5-7,10,12H2,1-2H3,(H,22,25)(H,23,27)/t13-,14-,21+/m0/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@]23[C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=CC(=CC(=C6)C)C
InChI: InChI=1S/C25H25N3O3/c1-13-6-7-18-17(12-13)25(24(31)26-18)21-20(19-5-4-8-27(19)25)22(29)28(23(21)30)16-10-14(2)9-15(3)11-16/h6-7,9-12,19-21H,4-5,8H2,1-3H3,(H,26,31)/p+1/t19-,20+,21-,25+/m0/s1
SMILES: C1CC(=O)C[C@@H]2[C@H]1CN3CCC4=CC5=C(C=C4[C@@H]3C2)OCO5
InChI: InChI=1S/C18H21NO3/c20-14-2-1-12-9-19-4-3-11-7-17-18(22-10-21-17)8-15(11)16(19)6-13(12)5-14/h7-8,12-13,16H,1-6,9-10H2/t12-,13+,16+/m1/s1
SMILES: CC([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CC4CCC3C4)C(=O)OC)C)O
InChI: InChI=1S/C23H33NO5/c1-14(25)23(2)13-24(22(26)28-4)12-18(23)16-7-8-19(27-3)21(11-16)29-20-10-15-5-6-17(20)9-15/h7-8,11,14-15,17-18,20,25H,5-6,9-10,12-13H2,1-4H3/t14?,15?,17?,18-,20?,23-/m0/s1
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=CC=CC4=CC5=CC=CC=C53)O
InChI: InChI=1S/C24H25NO/c1-2-16-15-25-12-11-17(16)14-22(25)24(26)23-20-9-5-3-7-18(20)13-19-8-4-6-10-21(19)23/h2-10,13,16-17,22,24,26H,1,11-12,14-15H2/t16-,17-,22+,24+/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)[C@H]2[C@@H](C=C[C@@H]([C@@H]2C(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C28H27NO3/c1-18-10-9-15-24(19(18)2)29-27(30)25-22(20-11-5-3-6-12-20)16-17-23(26(25)28(31)32)21-13-7-4-8-14-21/h3-17,22-23,25-26H,1-2H3,(H,29,30)(H,31,32)/p-1/t22-,23+,25-,26-/m0/s1
SMILES: C[C@]1(CC[C@@H]2[C@H](O1)C3=CC=CC=C3OC2(C)C)C#CCN4CCCC4
InChI: InChI=1S/C22H29NO2/c1-21(2)18-11-13-22(3,12-8-16-23-14-6-7-15-23)25-20(18)17-9-4-5-10-19(17)24-21/h4-5,9-10,18,20H,6-7,11,13-16H2,1-3H3/t18-,20-,22-/m1/s1
SMILES: C1=CC=C(C=C1)/C=C/[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H17Cl2NO5/c29-18-11-6-12-19(23(18)30)31-26(34)21-20(14-13-15-7-2-1-3-8-15)36-28(22(21)27(31)35)24(32)16-9-4-5-10-17(16)25(28)33/h1-14,20-22H/b14-13+/t20-,21-,22+/m0/s1
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=CC=CC=C6N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C51H45N7O10/c59-30-31-66-40-19-10-7-16-37(40)45-51(38-17-8-9-18-39(38)56(48(51)62)50(63)67-32-33-20-22-36(23-21-33)58(64)65)41(46(60)54-26-28-55(29-27-54)49-52-24-11-25-53-49)43-47(61)68-44(35-14-5-2-6-15-35)42(57(43)45)34-12-3-1-4-13-34/h1-25,41-45,59H,26-32H2/t41-,42-,43-,44+,45+,51-/m1/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)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])Cl
InChI: InChI=1S/C30H27Cl2N5O10/c1-33(2)24-19(36(43)44)9-13(10-20(24)37(45)46)35-25(39)17-8-7-15-18(22(17)26(35)40)12-29(31)27(41)34(3)28(42)30(29,32)23(15)16-6-5-14(38)11-21(16)47-4/h5-7,9-11,17-18,22-23,38H,8,12H2,1-4H3/t17-,18+,22-,23+,29+,30-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](O1)C(=O)N(CC(=O)OC(C)(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C39H59N5O14/c1-11-54-36(52)31-30(56-31)35(51)44(20-28(47)58-39(8,9)10)43-34(50)29(23(4)45)42-32(48)25(17-18-27(46)57-38(5,6)7)40-33(49)26(19-22(2)3)41-37(53)55-21-24-15-13-12-14-16-24/h12-16,22-23,25-26,29-31,45H,11,17-21H2,1-10H3,(H,40,49)(H,41,53)(H,42,48)(H,43,50)/t23-,25+,26+,29+,30-,31-/m1/s1
SMILES: C[C@@H]1[C@@H]([NH+]([C@@H]([C@@H](C1(C#CC2=CC=CC=C2)O)C)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3/p+1/t21-,22+,26-,27+,28?
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]([C@@H]([C@@H]1N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)[C@H](C(SC2=CC=CC=C2)SC3=CC=CC=C3)O
InChI: InChI=1S/C31H49N3O4S2Si2/c1-30(2,3)41(7,8)37-24-21-36-28(27(25(24)33-34-32)38-42(9,10)31(4,5)6)26(35)29(39-22-17-13-11-14-18-22)40-23-19-15-12-16-20-23/h11-20,24-29,35H,21H2,1-10H3/t24-,25-,26-,27-,28+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H](CO[C@H]([C@@H]2O)SCC3=CC=CC=C3)O)CO)O)O
InChI: InChI=1S/C18H26O8S/c19-7-13-15(22)11(20)6-14(25-13)26-17-12(21)8-24-18(16(17)23)27-9-10-4-2-1-3-5-10/h1-5,11-23H,6-9H2/t11-,12-,13-,14+,15+,16-,17+,18+/m1/s1
SMILES: C1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCC3=CC=NC=C3)O
InChI: InChI=1S/C19H22N2O8/c22-9-13-15(24)16(25)17(26)19(29-13)28-12-3-1-2-11(23)14(12)18(27)21-8-10-4-6-20-7-5-10/h1-7,13,15-17,19,22-26H,8-9H2,(H,21,27)/t13-,15-,16+,17-,19-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC3=CC(=O)N4C=CSC4=N3
InChI: InChI=1S/C17H17N3O5S/c21-13-7-10(18-17-19(13)5-6-26-17)9-25-14(22)8-20-15(23)11-3-1-2-4-12(11)16(20)24/h5-7,11-12H,1-4,8-9H2/t11-,12+
SMILES: CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=C(C=C3)F)[C@]4(N1)C5=C(C=CC(=C5)Cl)NC4=O
InChI: InChI=1S/C23H21ClFN3O3/c1-11(2)19-17-18(21(30)28(20(17)29)10-12-3-6-14(25)7-4-12)23(27-19)15-9-13(24)5-8-16(15)26-22(23)31/h3-9,11,17-19,27H,10H2,1-2H3,(H,26,31)/t17-,18+,19+,23+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](C=C[C@H]([C@H]2O1)OC(=O)C3=CC=CC=C3)O)C
InChI: InChI=1S/C16H18O5/c1-16(2)20-13-11(17)8-9-12(14(13)21-16)19-15(18)10-6-4-3-5-7-10/h3-9,11-14,17H,1-2H3/t11-,12-,13+,14-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OC)O)O
InChI: InChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-14-17-18(20(26-2)15-19(17)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,16-20,22-23H,3-4,6-7,9-12,15H2,1-2H3,(H,24,25)/b8-5-,14-13+/t16-,17+,18+,19+,20-/m0/s1
SMILES: C1CCC(CC1)/C=N\NC2=NC3C(C(=N2)N)N=CN3C4[C@@H]([C@@H](C(O4)CO)O)O
InChI: InChI=1S/C17H27N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-13,15-16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6-/t10?,11?,12-,13-,15?,16?/m1/s1
SMILES: CC1=CC(=C(C=C1CN2CCN(CC2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)OC)OC
InChI: InChI=1S/C23H31N3O4/c1-16-12-20(29-2)21(30-3)13-17(16)14-24-8-10-25(11-9-24)15-26-22(27)18-6-4-5-7-19(18)23(26)28/h4-5,12-13,18-19H,6-11,14-15H2,1-3H3/t18-,19-/m0/s1
SMILES: CC(C)[Si]1(O[C@H]2CCCC23[C@H]([C@H](C[S@@]3=O)OC(=O)C4=CC=C(C=C4)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C28H46O7SSi2/c1-18(2)37(19(3)4)33-25-11-10-16-28(25)26(34-38(35-37,20(5)6)21(7)8)24(17-36(28)30)32-27(29)22-12-14-23(31-9)15-13-22/h12-15,18-21,24-26H,10-11,16-17H2,1-9H3/t24-,25-,26-,28?,36-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H](N(C2=CC=CC=C21)CC3=CC=CC=C3)CC4(OCCO4)C)CC#N
InChI: InChI=1S/C25H28N2O4/c1-3-29-23(28)25(13-14-26)20-11-7-8-12-21(20)27(18-19-9-5-4-6-10-19)22(25)17-24(2)30-15-16-31-24/h4-12,22H,3,13,15-18H2,1-2H3/t22-,25+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CC/C=C/CC=C)I)C=O)C
InChI: InChI=1S/C18H27IO4/c1-4-5-6-7-8-9-13(19)14-10-11-15(21-14)17-16(12-20)22-18(2,3)23-17/h4,6-7,12-17H,1,5,8-11H2,2-3H3/b7-6+/t13-,14-,15-,16+,17-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]3[C@@H](CCO2)[C@@H]([C@@H](OCC3=O)O)OC(=O)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H38O17/c1-14(32)41-13-22-25(43-15(2)33)26(44-16(3)34)27(45-17(4)35)31(46-22)48-30-23-20(10-11-40-30)24(29(38)42-12-21(23)36)47-28(37)18-6-8-19(39-5)9-7-18/h6-9,20,22-27,29-31,38H,10-13H2,1-5H3/t20-,22-,23-,24+,25-,26+,27-,29-,30-,31+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C3C(C(C(=O)NC4=C3C2=NC=N4)Br)OC)CO)O)O
InChI: InChI=1S/C16H19BrN4O6/c1-16(25)11(23)7(4-22)27-15(16)21-3-6-8-12(18-5-19-13(8)21)20-14(24)9(17)10(6)26-2/h3,5,7,9-11,15,22-23,25H,4H2,1-2H3,(H,18,19,20,24)/t7-,9?,10?,11-,15-,16-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SN1C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C28H24N4O6S/c1-18-25(28(35)38-17-20-12-14-22(15-13-20)32(36)37)30-26(34)24(29-23(33)16-19-8-4-2-5-9-19)27(30)39-31(18)21-10-6-3-7-11-21/h2-15,24,27H,16-17H2,1H3,(H,29,33)/t24-,27-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2CCCCl)C(=O)[O-]
InChI: InChI=1S/C20H20ClNO4/c1-26-14-9-7-13(8-10-14)18-17(20(24)25)15-5-2-3-6-16(15)19(23)22(18)12-4-11-21/h2-3,5-10,17-18H,4,11-12H2,1H3,(H,24,25)/p-1/t17-,18+/m0/s1
SMILES: CCOP(=O)(OCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI: InChI=1S/C14H22N5O7P/c1-4-23-27(22,24-5-2)25-8-11-10(17-18-15)6-12(26-11)19-7-9(3)13(20)16-14(19)21/h7,10-12H,4-6,8H2,1-3H3,(H,16,20,21)/t10-,11+,12+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CF)OC(=O)C
InChI: InChI=1S/C14H17FN2O7/c1-7(18)22-6-11-10(23-8(2)19)3-12(24-11)17-5-9(4-15)13(20)16-14(17)21/h5,10-12H,3-4,6H2,1-2H3,(H,16,20,21)/t10-,11+,12+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=CC=CC=C2)OC(=O)C(=O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C22H22O3/c23-20(16-15-17-9-3-1-4-10-17)22(24)25-21-14-8-7-13-19(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19,21H,7-8,13-14H2/b16-15+/t19-,21+/m0/s1
SMILES: COCCN1C(=O)[C@]2(CC3=C(C=CC=C3Cl)N4[C@@H]2CCC4)C(=O)NC1=O
InChI: InChI=1S/C18H20ClN3O4/c1-26-9-8-22-16(24)18(15(23)20-17(22)25)10-11-12(19)4-2-5-13(11)21-7-3-6-14(18)21/h2,4-5,14H,3,6-10H2,1H3,(H,20,23,25)/t14-,18+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]3C4=C(COO3)[C@H](C[C@@H](C4)O)O)C
InChI: InChI=1S/C27H44O4/c1-17(2)7-5-8-18(3)23-10-11-24-19(9-6-12-27(23,24)4)13-26-21-14-20(28)15-25(29)22(21)16-30-31-26/h13,17-18,20,23-26,28-29H,5-12,14-16H2,1-4H3/b19-13+/t18-,20-,23-,24+,25+,26+,27-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)NCCNC3=NC(=C(C(=C3F)N=[N+]=[N-])F)F)NC(=O)N2
InChI: InChI=1S/C18H23F3N8O2S/c19-12-15(28-29-22)13(20)17(27-16(12)21)24-7-6-23-11(30)5-3-1-2-4-10-14-9(8-32-10)25-18(31)26-14/h9-10,14H,1-8H2,(H,23,30)(H,24,27)(H2,25,26,31)/t9-,10-,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](N(C(=O)[C@@H]2O1)C(=O)C3=CC=C(C=C3)OC)COC)C
InChI: InChI=1S/C17H21NO6/c1-17(2)23-13-12(9-21-3)18(16(20)14(13)24-17)15(19)10-5-7-11(22-4)8-6-10/h5-8,12-14H,9H2,1-4H3/t12-,13-,14-/m1/s1
SMILES: CCOC(=O)CC(=O)CSC1=C([C@@H]([C@@H](C(=O)N1)C(=O)OCC)C2=CC=CC=C2F)C#N
InChI: InChI=1S/C21H21FN2O6S/c1-3-29-16(26)9-12(25)11-31-20-14(10-23)17(13-7-5-6-8-15(13)22)18(19(27)24-20)21(28)30-4-2/h5-8,17-18H,3-4,9,11H2,1-2H3,(H,24,27)/t17-,18-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@@H]3C[C@@H](NC3)C4=CC=C(C=C4)CNC)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C22H29N3O4S/c1-11-18-17(12(2)26)21(27)25(18)19(22(28)29)20(11)30-15-8-16(24-10-15)14-6-4-13(5-7-14)9-23-3/h4-7,11-12,15-18,23-24,26H,8-10H2,1-3H3,(H,28,29)/t11-,12-,15-,16-,17-,18-/m1/s1
SMILES: C1=CC=C2[C@H]3[C@H]4[C@@H]([C@@H](N3N=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C26H18ClFN4O3/c27-15-5-9-17(10-6-15)30-24(33)23-21-20(22-19-4-2-1-3-14(19)13-29-32(22)23)25(34)31(26(21)35)18-11-7-16(28)8-12-18/h1-13,20-23H,(H,30,33)/t20-,21+,22+,23-/m1/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCC4=C(C=C(C=C4F)C(=O)O)F)C
InChI: InChI=1S/C38H56F4N6O8S/c1-37(2,3)27(19-47(6)57(7,55)56)45-36(54)46-30(20-11-9-8-10-12-20)34(51)48-18-23-29(38(23,4)5)31(48)33(50)44-26(17-28(41)42)32(49)43-14-13-22-24(39)15-21(35(52)53)16-25(22)40/h15-16,20,23,26-31H,8-14,17-19H2,1-7H3,(H,43,49)(H,44,50)(H,52,53)(H2,45,46,54)/t23-,26-,27+,29-,30-,31-/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C21H27NO8/c1-12(2)17-6-5-13(3)7-18(17)30-19(23)11-29-21(25)15-8-14(20(24)28-4)9-16(10-15)22(26)27/h8-10,12-13,17-18H,5-7,11H2,1-4H3/t13-,17-,18+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C(=O)C(=C(O3)C4=CC=CC=C4)OC)(C)C)OC(=O)C
InChI: InChI=1S/C25H24O8/c1-13(26)30-22-18-17(33-25(3,4)24(22)31-14(2)27)12-11-16-19(28)23(29-5)20(32-21(16)18)15-9-7-6-8-10-15/h6-12,22,24H,1-5H3/t22-,24-/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NN([C@@H]([C@@H]31)C4=CC=CS4)C5=CC=CC=C5
InChI: InChI=1S/C21H18N2S/c1-2-8-16(9-3-1)23-21(19-11-6-14-24-19)18-13-12-15-7-4-5-10-17(15)20(18)22-23/h1-11,14,18,21H,12-13H2/t18-,21+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7
InChI: InChI=1S/C40H32N2O8/c1-20-16-30(43)34-25(13-8-21-17-32(48-2)37(45)33(18-21)49-3)24-14-15-26-35(27(24)19-28(34)36(20)44)40(47)42(39(26)46)23-11-9-22(10-12-23)38-41-29-6-4-5-7-31(29)50-38/h4-14,16-18,25-27,35,45H,15,19H2,1-3H3/t25-,26-,27+,35-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC=C2[C@@H]3[C@](O3)(C4=CC=CC=N4)C(=O)N
InChI: InChI=1S/C18H14N2O2/c19-17(21)18(15-10-3-4-11-20-15)16(22-18)14-9-5-7-12-6-1-2-8-13(12)14/h1-11,16H,(H2,19,21)/t16-,18-/m1/s1
SMILES: CCCCCCCCCCC[C@H](C[C@@H]1[C@](C(=O)O1)(CCCCCC)[Si](C)(C)C)O
InChI: InChI=1S/C25H50O3Si/c1-6-8-10-12-13-14-15-16-17-19-22(26)21-23-25(24(27)28-23,29(3,4)5)20-18-11-9-7-2/h22-23,26H,6-21H2,1-5H3/t22-,23-,25+/m1/s1
SMILES: CC1=NSC(=C1)NC(=O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)N5)C)C
InChI: InChI=1S/C23H33N3O2S/c1-13-12-20(29-26-13)25-21(28)17-6-5-15-14-4-7-18-23(3,11-9-19(27)24-18)16(14)8-10-22(15,17)2/h12,14-18H,4-11H2,1-3H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)NC(=O)CCC3=CC=CC=C3
InChI: InChI=1S/C17H20N2O3/c20-15(11-10-12-6-2-1-3-7-12)18-19-16(21)13-8-4-5-9-14(13)17(19)22/h1-3,6-7,13-14H,4-5,8-11H2,(H,18,20)/t13-,14+
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)O[C@H](C)C(=O)NC3=C(C=C(C=C3C)C)C
InChI: InChI=1S/C23H31N3O5/c1-13-10-14(2)19(15(3)11-13)24-20(28)17(5)31-18(27)12-26-21(29)23(25-22(26)30)9-7-6-8-16(23)4/h10-11,16-17H,6-9,12H2,1-5H3,(H,24,28)(H,25,30)/t16-,17+,23+/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)[C@@H]3[C@@H]4C[C@@H]5[C@H]3C(=O)O[C@H]5C4)C
InChI: InChI=1S/C24H24N2O4/c1-12-6-7-18(13(2)8-12)26-22(27)14-4-3-5-16(9-14)25-23(28)20-15-10-17-19(11-15)30-24(29)21(17)20/h3-9,15,17,19-21H,10-11H2,1-2H3,(H,25,28)(H,26,27)/t15-,17+,19+,20-,21-/m1/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@@H]([C@@H]([C@@H]1CC=C[C@H]([C@H]1[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H31NO14/c1-11(25)33-10-19(35-13(3)27)22(37-15(5)29)23(38-16(6)30)21(36-14(4)28)17-8-7-9-18(34-12(2)26)20(17)24(31)32/h7,9,17-23H,8,10H2,1-6H3/t17-,18-,19-,20+,21-,22-,23-/m1/s1
SMILES: CC(C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O)O
InChI: InChI=1S/C20H34N4O12/c1-7(26)13(19(33)23-10(17(21)31)4-5-12(28)29)24-18(32)8(2)35-16-14(22-9(3)27)20(34)36-11(6-25)15(16)30/h7-8,10-11,13-16,20,25-26,30,34H,4-6H2,1-3H3,(H2,21,31)(H,22,27)(H,23,33)(H,24,32)(H,28,29)/t7?,8?,10?,11-,13?,14-,15-,16-,20?/m1/s1
SMILES: C[C@H]1C[C@@]([C@@H](C[NH+]1C(C)C)C)(C2=CC=CC=C2)O
InChI: InChI=1S/C16H25NO/c1-12(2)17-11-13(3)16(18,10-14(17)4)15-8-6-5-7-9-15/h5-9,12-14,18H,10-11H2,1-4H3/p+1/t13-,14+,16-/m1/s1
SMILES: CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H](C[C@@](O1)(C(=O)CCl)C(=O)OC)OC(=O)CCl)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)[C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H44Cl2O22/c1-14(37)48-12-22(50-16(3)39)27-29(52-18(5)41)30(53-19(6)42)31(54-20(7)43)32(57-27)56-26-21(55-25(45)11-36)9-34(24(44)10-35,33(46)47-8)58-28(26)23(51-17(4)40)13-49-15(2)38/h21-23,26-32H,9-13H2,1-8H3/t21-,22+,23-,26-,27-,28-,29-,30+,31+,32+,34-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C24H38O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h5,14,16-20,22,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,16+,17+,18-,19+,20-,22-,23+,24-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)C(=O)N)O
InChI: InChI=1S/C24H24N4O8/c1-2-36-15-7-9(3-6-14(15)29)16-10-4-5-11-17(21(32)27(19(11)30)23(25)34)12(10)8-13-18(16)22(33)28(20(13)31)24(26)35/h3-4,6-7,11-13,16-18,29H,2,5,8H2,1H3,(H2,25,34)(H2,26,35)/t11-,12+,13+,16-,17-,18+/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@@H](CCC(=C3[C@H]2OC1=O)C)O)C
InChI: InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-11,13,16H,4-7H2,1-3H3/t9-,10-,11+,13-,15-/m0/s1
SMILES: CC(=O)O[C@H]1C=CCN2[C@H]1[C@@H]([C@@H](C2)OCC3=CC=CC=C3)OC(=O)C
InChI: InChI=1S/C19H23NO5/c1-13(21)24-16-9-6-10-20-11-17(19(18(16)20)25-14(2)22)23-12-15-7-4-3-5-8-15/h3-9,16-19H,10-12H2,1-2H3/t16-,17+,18+,19+/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3I)C(=O)NCCO)CCCCC
InChI: InChI=1S/C27H38INO6/c1-3-5-9-13-27(14-10-6-4-2)34-23-18-19(25(31)29-15-16-30)17-22(24(23)35-27)33-26(32)20-11-7-8-12-21(20)28/h7-8,11-12,18,22-24,30H,3-6,9-10,13-17H2,1-2H3,(H,29,31)/t22-,23-,24+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@H]2[C@@H](N3C4=CC=CC=C4N=C3NC2=C)C5=CC=CS5
InChI: InChI=1S/C23H20N4OS/c1-14-8-3-4-9-16(14)25-22(28)20-15(2)24-23-26-17-10-5-6-11-18(17)27(23)21(20)19-12-7-13-29-19/h3-13,20-21H,2H2,1H3,(H,24,26)(H,25,28)/t20-,21+/m1/s1
SMILES: CCC1=CC=CC=C1N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)OC
InChI: InChI=1S/C18H19NO4/c1-3-11-6-4-5-7-12(11)19-10-18-9-8-13(23-18)14(17(21)22-2)15(18)16(19)20/h4-9,13-15H,3,10H2,1-2H3/t13-,14-,15+,18-/m1/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=C4CNC(=O)OCC=C)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C41H46N2O7/c1-5-20-48-41(45)42-23-33-8-6-7-9-35(33)29-14-16-31(17-15-29)40-49-38(27(2)39(50-40)30-12-10-28(26-44)11-13-30)25-43-19-18-32-21-36(46-3)37(47-4)22-34(32)24-43/h5-17,21-22,27,38-40,44H,1,18-20,23-26H2,2-4H3,(H,42,45)/t27-,38+,39+,40+/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C45H60N4O7/c1-29-39(27-49-37-14-10-9-13-33(37)23-24-38(49)41(51)48-45(2,3)4)55-43(56-40(29)34-19-17-32(28-50)18-20-34)35-21-15-31(16-22-35)26-46-44(53)47-36(42(52)54-5)25-30-11-7-6-8-12-30/h6-8,11-12,15-22,29,33,36-40,43,50H,9-10,13-14,23-28H2,1-5H3,(H,48,51)(H2,46,47,53)/t29-,33+,36-,37+,38+,39+,40+,43+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@@H]2[C@H](C([C@H](O2)CO)(F)F)O
InChI: InChI=1S/C9H11F2N3O4/c10-9(11)4(3-15)18-7(6(9)16)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[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)N9CCOCC9
InChI: InChI=1S/C48H44N2O8/c1-56-40-25-29(26-41(57-2)45(40)53)13-20-38-34-18-19-35-43(47(55)50(46(35)54)33-16-14-32(15-17-33)49-21-23-58-24-22-49)37(34)27-39-44(52)36(30-9-5-3-6-10-30)28-42(51)48(38,39)31-11-7-4-8-12-31/h3-18,20,25-26,28,35,37-39,43,53H,19,21-24,27H2,1-2H3/t35-,37+,38-,39-,43-,48-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H22N4O4S/c24-17(22-10-4-7-13-5-1-2-9-16(13)22)12-28-19-21-20-18(27-19)14-6-3-8-15(11-14)23(25)26/h3,6,8,11,13,16H,1-2,4-5,7,9-10,12H2/t13-,16+/m0/s1
SMILES: C1=CC=C(C(=C1)NC(=O)CN2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2)F
InChI: InChI=1S/C18H13F2N5O3/c19-10-5-7-11(8-6-10)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-13-4-2-1-3-12(13)20/h1-8,15-16H,9H2,(H,21,26)/t15-,16-/m1/s1
SMILES: C1=C(C(=NC=[N+]1[C@H]2[C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)N)F
InChI: InChI=1S/C9H13FN3O7P/c10-4-1-13(3-12-8(4)11)9-6(15)7(5(2-14)19-9)20-21(16,17)18/h1,3,5-7,9,11,14-15H,2H2,(H2,16,17,18)/p+1/t5-,6+,7-,9-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)C2=CC=CS2)C3=CC=CO3
InChI: InChI=1S/C17H16O4S/c1-2-20-17(19)16-12(14-5-3-7-21-14)9-11(10-13(16)18)15-6-4-8-22-15/h3-8,10,12,16H,2,9H2,1H3/t12-,16-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6
InChI: InChI=1S/C28H25N3O7S/c32-28(30-19-11-13-21(14-12-19)37-20-8-2-1-3-9-20)38-23-17-36-26-22(16-35-27(23)26)31-39(33,34)24-10-4-6-18-7-5-15-29-25(18)24/h1-15,22-23,26-27,31H,16-17H2,(H,30,32)/t22-,23+,26+,27+/m0/s1
SMILES: C[C@]12CC[C@](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)(CCC5=CN(C6=CC=CC=C65)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C34H45NO4/c1-31(2,3)39-30(37)35-21-22(24-8-6-7-9-28(24)35)14-17-34(38)19-18-32(4)23(20-34)10-11-25-26-12-13-29(36)33(26,5)16-15-27(25)32/h6-9,20-21,25-27,38H,10-19H2,1-5H3/t25-,26-,27-,32-,33-,34-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2C(=O)NN(C4=CC=CC=C4)C5=CC=CC=C5)CC[C@@H]6[C@@]3(CCC(=O)N6)C
InChI: InChI=1S/C31H39N3O2/c1-30-19-17-25-23(13-16-27-31(25,2)20-18-28(35)32-27)24(30)14-15-26(30)29(36)33-34(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23-27H,13-20H2,1-2H3,(H,32,35)(H,33,36)/t23?,24?,25?,26-,27-,30+,31-/m1/s1
SMILES: CC1([C@@H]2CCCC[C@@]23CC[C@]([C@]3(O1)O)(C#N)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C20H35NO3Si/c1-16(2,3)25(6,7)24-19(14-21)13-12-18-11-9-8-10-15(18)17(4,5)23-20(18,19)22/h15,22H,8-13H2,1-7H3/t15-,18+,19+,20-/m0/s1
SMILES: CCO[C@H]1[C@@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3OC
InChI: InChI=1S/C24H33N3O7/c1-5-33-24-16(13-19(28)34-24)25-22(30)17-10-8-12-27(17)23(31)20(14(2)3)26-21(29)15-9-6-7-11-18(15)32-4/h6-7,9,11,14,16-17,20,24H,5,8,10,12-13H2,1-4H3,(H,25,30)(H,26,29)/t16-,17+,20+,24-/m1/s1
SMILES: CCCC[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO/c1-2-3-10-18-15-19(18)20(16-11-6-4-7-12-16)22-21(23)17-13-8-5-9-14-17/h4-9,11-14,18-20H,2-3,10,15H2,1H3,(H,22,23)/t18-,19-,20+/m1/s1
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)C(=O)C4=C3C=C(C=C4)O)CC5CC5
InChI: InChI=1S/C20H25NO2/c22-14-6-7-15-17(11-14)20-8-2-1-3-16(20)18(19(15)23)21(10-9-20)12-13-4-5-13/h6-7,11,13,16,18,22H,1-5,8-10,12H2/t16-,18-,20+/m0/s1
SMILES: C[C@]12CC[C@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)F)C)O
InChI: InChI=1S/C19H29FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h3,12-17,21-22H,4-10H2,1-2H3/t12-,13-,14+,15+,16-,17+,18+,19+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C4O[C@@H]([C@H]([C@@H](O4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C52H55N3O8S/c1-35-14-24-44(25-15-35)64(58,59)54-45(28-36-10-6-4-7-11-36)51(57)53-31-37-16-22-41(23-17-37)52-62-48(33-55-27-26-42-29-46(60-2)47(61-3)30-43(42)32-55)49(39-12-8-5-9-13-39)50(63-52)40-20-18-38(34-56)19-21-40/h4-25,29-30,45,48-50,52,54,56H,26-28,31-34H2,1-3H3,(H,53,57)/t45-,48-,49-,50+,52?/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]24C(=O)CO4)CCC5=CC6=C(C[C@]35C)C=NN6C7=CC=C(C=C7)F)O
InChI: InChI=1S/C28H31FN2O3/c1-26-12-16-14-30-31(19-6-4-18(29)5-7-19)22(16)11-17(26)3-8-20-21-9-10-28(24(33)15-34-28)27(21,2)13-23(32)25(20)26/h4-7,11,14,20-21,23,25,32H,3,8-10,12-13,15H2,1-2H3/t20-,21-,23-,25+,26-,27-,28-/m0/s1
SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@H](C)O)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=CC=C4)OC
InChI: InChI=1S/C29H32O10/c1-15-11-20(36-3)24(27-23(15)19(32)13-18(37-27)12-16(2)31)28-29(26(35)25(34)21(14-30)38-28)39-22(33)10-9-17-7-5-4-6-8-17/h4-11,13,16,21,25-26,28-31,34-35H,12,14H2,1-3H3/b10-9+/t16-,21+,25-,26-,28-,29+/m0/s1
SMILES: C1[C@H]([C@@H]1C(=O)C2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H16NO3/c23-21(17-7-5-15(6-8-17)14-3-1-2-4-14)20-13-19(20)16-9-11-18(12-10-16)22(24)25/h1-12,19-20H,13H2/t19-,20+/m0/s1
SMILES: CC1=C[C@@H]2[C@]([C@H]3[C@@H]1O3)([C@]4([C@@H](C[C@H](C45CO5)O2)O)C)C
InChI: InChI=1S/C15H20O4/c1-7-4-9-13(2,12-11(7)19-12)14(3)8(16)5-10(18-9)15(14)6-17-15/h4,8-12,16H,5-6H2,1-3H3/t8-,9-,10-,11-,12-,13-,14-,15?/m1/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)CSCC(=O)O)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4
InChI: InChI=1S/C20H19N3O6S/c24-16(9-30-10-17(25)26)21-14-5-6-23-18(14)19(27)22-13-4-3-11(8-12(13)20(23)28)15-2-1-7-29-15/h1-4,7-8,14,18H,5-6,9-10H2,(H,21,24)(H,22,27)(H,25,26)/t14-,18-/m0/s1
SMILES: COC(=O)C([C@H]1[C@@H](CCN1C(=O)OCC2=CC=CC=C2)I)C(=O)OC
InChI: InChI=1S/C17H20INO6/c1-23-15(20)13(16(21)24-2)14-12(18)8-9-19(14)17(22)25-10-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,14-/m1/s1
SMILES: CC(=O)N([C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)C
InChI: InChI=1S/C18H25NO11/c1-8(20)19(9(2)21)15-17(28-12(5)24)16(27-11(4)23)14(7-26-10(3)22)30-18(15)29-13(6)25/h14-18H,7H2,1-6H3/t14-,15-,16-,17-,18-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C24H17FN2O5/c25-14-10-12-15(13-11-14)26-22(28)19-20(17-8-4-5-9-18(17)24(30)31)27(32-21(19)23(26)29)16-6-2-1-3-7-16/h1-13,19-21H,(H,30,31)/t19-,20-,21+/m1/s1