EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=C(C=C1)CO[C@@H]2C=C([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C35H36O5/c1-36-32-19-17-30(18-20-32)23-38-33-21-31(26-37-22-27-11-5-2-6-12-27)34(39-24-28-13-7-3-8-14-28)35(33)40-25-29-15-9-4-10-16-29/h2-21,33-35H,22-26H2,1H3/t33-,34-,35-/m1/s1
SMILES: CC(C)(C)N1C(=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=CC(=C5)Cl)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C36H30Cl3F3N4O5/c1-34(2,3)45-30(48)21-10-9-20-22(27(21)32(45)50)14-24-31(49)46(44-29-25(39)12-17(15-43-29)36(40,41)42)33(51)35(24,16-4-6-18(37)7-5-16)28(20)23-13-19(38)8-11-26(23)47/h4-9,11-13,15,21-22,24,27-28,47H,10,14H2,1-3H3,(H,43,44)/t21-,22+,24-,27-,28+,35+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)[NH2+][C@@H](C(=O)N2)CC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H20ClN3O2/c17-10-5-7-11(8-6-10)18-15(21)9-14-16(22)20-13-4-2-1-3-12(13)19-14/h5-8,12-14,19H,1-4,9H2,(H,18,21)(H,20,22)/p+1/t12-,13+,14-/m1/s1
SMILES: C1CNC[C@H]([C@@H]1N)C(=O)N[C@H](CC(=O)N[C@@H](CCCN)CC(=O)N[C@@H]2CCNC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)CO
InChI: InChI=1S/C38H61N9O10/c39-12-4-7-24(43-33(50)18-27(22-48)46-37(56)28-20-41-13-10-30(28)40)16-34(51)47-31-11-14-42-21-29(31)38(57)45-26(15-23-5-2-1-3-6-23)17-32(49)44-25(19-36(54)55)8-9-35(52)53/h1-3,5-6,24-31,41-42,48H,4,7-22,39-40H2,(H,43,50)(H,44,49)(H,45,57)(H,46,56)(H,47,51)(H,52,53)(H,54,55)/t24-,25-,26-,27+,28+,29+,30+,31+/m0/s1
SMILES: C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)NCC3[C@H]4[C@@H]3CN(C4)CC5=CC=CC=C5)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C26H32N2O2.C4H6O6/c29-25(26(30,21-13-7-8-14-21)20-11-5-2-6-12-20)27-15-22-23-17-28(18-24(22)23)16-19-9-3-1-4-10-19;5-1(3(7)8)2(6)4(9)10/h1-6,9-12,21-24,30H,7-8,13-18H2,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t22?,23-,24+,26-;1-,2-/m01/s1
SMILES: CC(=O)O[C@H]1[C@H](N(C1=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4C5=CC=CC=C53
InChI: InChI=1S/C25H19NO3/c1-16(27)29-24-23(26(25(24)28)18-10-3-2-4-11-18)22-15-17-9-5-6-12-19(17)20-13-7-8-14-21(20)22/h2-15,23-24H,1H3/t23-,24+/m1/s1
SMILES: C[C@H]1[C@@H](N[C@@H]([C@@H](C1=O)C)C2=C(C=C(C=C2)OC)OC)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C23H29NO5/c1-13-21(17-9-7-15(26-3)11-19(17)28-5)24-22(14(2)23(13)25)18-10-8-16(27-4)12-20(18)29-6/h7-14,21-22,24H,1-6H3/t13-,14-,21-,22+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=O)[C@@](NC3=O)(C)C4=CC=CC=C4
InChI: InChI=1S/C19H19N3O3/c1-12-10-15(12)16-9-8-14(25-16)11-20-22-17(23)19(2,21-18(22)24)13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,21,24)/b20-11-/t12-,15+,19-/m1/s1
SMILES: CC(=C(C(=O)C)S[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2CCC3=C(C2=O)C(=C4C(=C3)C=CC=C4O)O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)C
InChI: InChI=1S/C47H48O9S/c1-29(2)45(30(3)48)57-46-44(54-27-33-18-11-6-12-19-33)43(53-26-32-16-9-5-10-17-32)38(28-52-25-31-14-7-4-8-15-31)56-47(46)55-37-23-22-35-24-34-20-13-21-36(49)39(34)42(51)40(35)41(37)50/h4-21,24,37-38,43-44,46-47,49,51H,22-23,25-28H2,1-3H3/t37?,38-,43-,44+,46-,47-/m1/s1
SMILES: C1COCCN1[C@@H]2[C@H]([C@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\CCC(=O)O
InChI: InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1
SMILES: CC1=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)C7=CC=CC(=C7)C(=O)O)O
InChI: InChI=1S/C34H25Cl2FN2O7/c1-16-13-17(5-12-25(16)40)27-22-10-11-23-26(29(42)38(28(23)41)21-4-2-3-18(14-21)30(43)44)24(22)15-33(35)31(45)39(32(46)34(27,33)36)20-8-6-19(37)7-9-20/h2-10,12-14,23-24,26-27,40H,11,15H2,1H3,(H,43,44)/t23-,24+,26-,27-,33+,34-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)N)O
InChI: InChI=1S/C23H21N3O7/c1-12(27)19-18-10-17(14-4-6-15(7-5-14)21(24)28)20(25(18)22(19)29)23(30)33-11-13-2-8-16(9-3-13)26(31)32/h2-9,12,18-19,27H,10-11H2,1H3,(H2,24,28)/t12-,18-,19-/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)NC(=O)NC45CC6CC(C4)CC(C6)C5)CN(C)[C@H](C)[C@H](C7=CC=CC=C7)O
InChI: InChI=1S/C40H51N3O5/c1-25-35(23-43(3)26(2)36(45)31-7-5-4-6-8-31)47-38(48-37(25)32-11-9-27(24-44)10-12-32)33-13-15-34(16-14-33)41-39(46)42-40-20-28-17-29(21-40)19-30(18-28)22-40/h4-16,25-26,28-30,35-38,44-45H,17-24H2,1-3H3,(H2,41,42,46)/t25-,26-,28?,29?,30?,35+,36-,37+,38+,40?/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H26N4O5/c1-12-5-4-6-16(13(12)2)21-17(25)11-23-18(26)20(3,22-19(23)27)14-7-9-15(10-8-14)24(28)29/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,21,25)(H,22,27)/t12-,13-,16-,20-/m1/s1
SMILES: CC1=NN(C2=C1[C@H]3[C@H](CS2)C(OC4=C3C(=NN4C5=CC=CC=C5)C(F)(F)F)(C)C)C6=CC=CC=C6
InChI: InChI=1S/C26H23F3N4OS/c1-15-19-20-18(14-35-24(19)33(30-15)17-12-8-5-9-13-17)25(2,3)34-23-21(20)22(26(27,28)29)31-32(23)16-10-6-4-7-11-16/h4-13,18,20H,14H2,1-3H3/t18-,20+/m0/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)C(=O)C
InChI: InChI=1S/C35H31NO8/c1-17-13-27(38)30-23(10-5-19-14-28(43-3)33(40)29(15-19)44-4)22-11-12-24-31(25(22)16-26(30)32(17)39)35(42)36(34(24)41)21-8-6-20(7-9-21)18(2)37/h5-11,13-15,23-25,31,40H,12,16H2,1-4H3/t23-,24-,25+,31-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)NS(=O)(=O)CCOCCOCCNC(=O)OCC3=CC=CC=C3)C(=O)O)C
InChI: InChI=1S/C22H31N3O11S2/c1-22(2)17(20(27)28)25-18(26)16(19(25)38(22,32)33)24-37(30,31)13-12-35-11-10-34-9-8-23-21(29)36-14-15-6-4-3-5-7-15/h3-7,16-17,19,24H,8-14H2,1-2H3,(H,23,29)(H,27,28)/t16-,17+,19-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)OC(F)(F)F)O)C(=O)N(C5=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C44H39F3N4O7/c1-25-7-9-27(10-8-25)48-51-40(54)35-24-33-31(16-17-32-37(33)41(55)50(39(32)53)29-13-11-28(12-14-29)49-19-21-57-22-20-49)38(43(35,42(51)56)26-5-3-2-4-6-26)34-23-30(15-18-36(34)52)58-44(45,46)47/h2-16,18,23,32-33,35,37-38,48,52H,17,19-22,24H2,1H3/t32-,33+,35-,37-,38+,43+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC
InChI: InChI=1S/C16H24N2O4/c1-11-6-4-5-7-13(11)17-10-12-8-15(21-2)16(22-3)9-14(12)18(19)20/h8-9,11,13,17H,4-7,10H2,1-3H3/t11-,13+/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H]([C@@H]3[C@](O3)(CC/C=C(/[C@@H]1OC(=O)C)\C(=O)OC)C)OC(=O)C2=C
InChI: InChI=1S/C23H28O9/c1-7-11(2)20(25)30-17-15-12(3)21(26)31-18(15)19-23(5,32-19)10-8-9-14(22(27)28-6)16(17)29-13(4)24/h7,9,15-19H,3,8,10H2,1-2,4-6H3/b11-7-,14-9-/t15-,16+,17+,18+,19-,23-/m1/s1
SMILES: CCOC(=O)C1=C(C(=C(S1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)N)C
InChI: InChI=1S/C17H22N2O6S/c1-3-25-17(24)12-8(2)11(13(18)20)15(26-12)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/p-1/t9-,10+/m0/s1
SMILES: CC(C)COC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3C(=O)OC
InChI: InChI=1S/C24H27N3O4S/c1-14(2)13-31-19-12-8-6-10-17(19)21-20(15(3)25-24(32)27-21)22(28)26-18-11-7-5-9-16(18)23(29)30-4/h5-12,14,20-21H,3,13H2,1-2,4H3,(H,26,28)(H2,25,27,32)/t20-,21+/m0/s1
SMILES: CCC[C@@H]1CC2=CC=CC=C2[C@@H]3[C@@H]1[C@@H]4C[C@H]5CCCC[C@@]5([C@]4(CC3)C)O
InChI: InChI=1S/C25H36O/c1-3-8-18-15-17-9-4-5-11-20(17)21-12-14-24(2)22(23(18)21)16-19-10-6-7-13-25(19,24)26/h4-5,9,11,18-19,21-23,26H,3,6-8,10,12-16H2,1-2H3/t18-,19-,21-,22+,23-,24+,25-/m1/s1
SMILES: CCC(=O)N1CCC2=C(C1)N=C(N2C3C[C@@H]4CC[C@@H](C3)N4C[C@H]5CN(C[C@@H]5C6=CC=CC=C6)C(=O)C)C
InChI: InChI=1S/C30H41N5O2/c1-4-30(37)32-13-12-29-28(19-32)31-20(2)35(29)26-14-24-10-11-25(15-26)34(24)17-23-16-33(21(3)36)18-27(23)22-8-6-5-7-9-22/h5-9,23-27H,4,10-19H2,1-3H3/t23-,24+,25+,27-/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@H]1[C@@H]([C@@H]2Br)Br)C(=O)N(C3=O)C4=NC=CC=N4
InChI: InChI=1S/C13H11Br2N3O2/c14-9-5-4-6(10(9)15)8-7(5)11(19)18(12(8)20)13-16-2-1-3-17-13/h1-3,5-10H,4H2/t5-,6+,7-,8-,9-,10+/m0/s1
SMILES: C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCN2CCOCC2)O)O)O
InChI: InChI=1S/C40H68N2O9/c1-10-11-13-27(4)38(51-40(48)41-16-12-17-42-18-20-49-21-19-42)31(8)36(45)29(6)23-25(2)22-28(5)35(44)26(3)14-15-33(43)24-34-30(7)37(46)32(9)39(47)50-34/h10-11,13-15,22,26-38,43-46H,1,12,16-21,23-24H2,2-9H3,(H,41,48)/b13-11-,15-14-,25-22-/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-/m0/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)N(C(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCCC8=CC=CC=N8)C(=O)OCCOC)CC9=CC=CC=C9
InChI: InChI=1S/C57H55N5O9/c1-60(38-40-16-6-3-7-17-40)31-15-18-39-26-27-47-46(36-39)57(55(66)61(47)56(67)70-35-34-68-2)48(53(64)59-30-28-44-24-12-13-29-58-44)50-54(65)71-51(42-21-10-5-11-22-42)49(41-19-8-4-9-20-41)62(50)52(57)43-23-14-25-45(37-43)69-33-32-63/h3-14,16-17,19-27,29,36-37,48-52,63H,28,30-35,38H2,1-2H3,(H,59,64)/t48-,49-,50-,51+,52+,57-/m0/s1
SMILES: CCN(CC)C(=O)[C@@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H20N4O4/c1-4-19(5-2)15(21)13-10(3)17-16(22)18-14(13)11-7-6-8-12(9-11)20(23)24/h6-9,13-14H,3-5H2,1-2H3,(H2,17,18,22)/t13-,14-/m0/s1
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)COC(=O)CC(=O)[O-])O)C6=CC=C(C=C6)O)O)O)O)O
InChI: InChI=1S/C39H38O20/c40-19-6-1-17(2-7-19)3-10-29(45)54-16-27-32(48)33(49)35(51)39(58-27)57-26-13-22-24(55-36(26)18-4-8-20(41)9-5-18)11-21(42)12-25(22)56-38-23(15-53-30(46)14-28(43)44)31(47)34(50)37(52)59-38/h1-13,23,27,31-35,37-39,47-52H,14-16H2,(H3-,40,41,42,43,44,45)/t23-,27-,31-,32-,33+,34+,35-,37+,38+,39-/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OCCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])O[C@]4([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)O)COCC7=CC=CC=C7)O[C@@H](O1)C8=CC=CC=C8
InChI: InChI=1S/C48H50N4O12/c49-51-50-41-44(42-39(31-60-46(62-42)37-19-11-4-12-20-37)61-47(41)58-26-25-33-21-23-38(24-22-33)52(54)55)64-48(32-57-28-35-15-7-2-8-16-35)45(53)43(59-29-36-17-9-3-10-18-36)40(63-48)30-56-27-34-13-5-1-6-14-34/h1-24,39-47,53H,25-32H2/t39-,40-,41+,42-,43-,44-,45+,46-,47-,48+/m1/s1
SMILES: CC1=CC=CC=C1N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)C6=CC=CO6
InChI: InChI=1S/C25H21N3O4S/c1-14-7-2-4-9-17(14)28-21(18-10-6-12-31-18)20-22(32-28)24(30)27(23(20)29)25-16(13-26)15-8-3-5-11-19(15)33-25/h2,4,6-7,9-10,12,20-22H,3,5,8,11H2,1H3/t20-,21-,22+/m0/s1
SMILES: CC(=O)C1=C[C@]2(P3C=C(P2[C@]4([C@@]3(P14)C(C)(C)C)C(C)(C)C)C(=O)C)C(C)(C)C
InChI: InChI=1S/C23H35O2P3/c1-14(24)16-12-21(18(3,4)5)26-13-17(15(2)25)27(21)23(20(9,10)11)22(26,28(16)23)19(6,7)8/h12-13H,1-11H3/t21-,22+,23-,26?,27?,28?/m1/s1
SMILES: C[C@@]1([C@@]2(C1(C)C)CC[C@@H]2C(=O)NCC3=CC=CO3)C(=O)[O-]
InChI: InChI=1S/C16H21NO4/c1-14(2)15(3,13(19)20)16(14)7-6-11(16)12(18)17-9-10-5-4-8-21-10/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,18)(H,19,20)/p-1/t11-,15-,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CC(CC(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)C(C)(C)C)C[C@@H]([C@@H]5[C@@]3(CC[C@@H](C5)OC(=O)CC(CC(=O)NCCS(=O)(=O)O)C6=CC=C(C=C6)C(C)(C)C)C)O
InChI: InChI=1S/C53H78N2O13S2/c1-50(2,3)37-13-9-33(10-14-37)35(27-46(57)54-23-25-69(61,62)63)29-48(59)67-39-19-21-52(7)42-20-22-53(8)41(40(42)32-44(56)43(52)31-39)17-18-45(53)68-49(60)30-36(28-47(58)55-24-26-70(64,65)66)34-11-15-38(16-12-34)51(4,5)6/h9-16,35-36,39-45,56H,17-32H2,1-8H3,(H,54,57)(H,55,58)(H,61,62,63)(H,64,65,66)/t35?,36?,39-,40-,41-,42-,43+,44-,45-,52+,53-/m0/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN(CC(=O)NC5=CC=CC=C5)CC(=O)O
InChI: InChI=1S/C26H30N4O3/c1-29-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)29)14-30(16-25(32)33)15-24(31)28-19-6-3-2-4-7-19/h2-9,12,17,21,23,27H,10-11,13-16H2,1H3,(H,28,31)(H,32,33)/t17-,21-,23-/m1/s1
SMILES: C[C@@H]1[C@H](C2C1C(=O)C=CC2=O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C17H18O4/c1-9-15(17-12(19)6-5-11(18)16(9)17)10-4-7-13(20-2)14(8-10)21-3/h4-9,15-17H,1-3H3/t9-,15+,16?,17?/m1/s1
SMILES: CC(C)OC(=O)N[C@H]1[C@@H](N(C(=O)N1C)C)NC(=O)OC(C)C
InChI: InChI=1S/C13H24N4O5/c1-7(2)21-11(18)14-9-10(15-12(19)22-8(3)4)17(6)13(20)16(9)5/h7-10H,1-6H3,(H,14,18)(H,15,19)/t9-,10-/m1/s1
SMILES: C1=CC(=C(C=C1N[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)[N+](=O)[O-])Cl
InChI: InChI=1S/C12H15ClN2O7/c13-6-2-1-5(3-7(6)15(20)21)14-12-11(19)10(18)9(17)8(4-16)22-12/h1-3,8-12,14,16-19H,4H2/t8-,9-,10+,11+,12+/m0/s1
SMILES: CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C23H40O2/c1-5-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-22(15,3)20(17)13-21(25)23(18,19)4/h14-21,24-25H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21+,22+,23-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCCCOC
InChI: InChI=1S/C17H27N3O6/c1-12-6-3-4-7-17(12)15(23)20(16(24)19-17)10-14(22)26-11-13(21)18-8-5-9-25-2/h12H,3-11H2,1-2H3,(H,18,21)(H,19,24)/t12-,17+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@]1([C@H](C[C@@H](O[C@@H]1CC=C)COC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C35H52O6Si/c1-10-14-32-35(8,24-40-42(25(2)3,26(4)5)27(6)7)33(38-22-28-17-19-30(37-9)20-18-28)21-31(41-32)23-39-34(36)29-15-12-11-13-16-29/h10-13,15-20,25-27,31-33H,1,14,21-24H2,2-9H3/t31-,32-,33+,35-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChI: InChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)25-17-15-24-19-16(21)14-23-20(17)19/h16-17,19-21H,2-15H2,1H3/t16-,17+,19+,20+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H](C(O1)C2=C(OC3=C(C2=O)C(=C(C(=C3)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O
InChI: InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)14-10(29)5-12-15(19(14)33)20(34)16(25-22(36)17(31)11(30)7-38-25)24(39-12)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-33,35-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25?,26+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@]1([C@H]([C@@H](C(=C2)C)OC(=O)C)OC(=O)[C@@H]3C[C@@]4([C@H](N3)ON(C5=C4C=CC=C5Cl)C)O)O)C(=C)C
InChI: InChI=1S/C29H37ClN2O7/c1-14(2)18-11-10-16(4)29(36)20(18)12-15(3)24(37-17(5)33)25(29)38-26(34)22-13-28(35)19-8-7-9-21(30)23(19)32(6)39-27(28)31-22/h7-9,12,16,18,20,22,24-25,27,31,35-36H,1,10-11,13H2,2-6H3/t16-,18+,20-,22+,24-,25+,27-,28-,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)C[NH+](C)CC3=C(C=CC=C3Cl)F
InChI: InChI=1S/C18H23ClFN3O2/c1-12-6-3-4-9-18(12)16(24)23(17(25)21-18)11-22(2)10-13-14(19)7-5-8-15(13)20/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,21,25)/p+1/t12-,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H29N5O3S/c1-14-6-4-5-7-17(14)23-19(27)13-30-21-25-24-18(26(21)2)12-22-20(28)15-8-10-16(29-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,22,28)(H,23,27)/t14-,17-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(OC1=O)(C)C)[C@@H](C)C(=O)C2=CC=C(C=C2)Br
InChI: InChI=1S/C18H21BrO5/c1-5-23-16(21)13-14(18(3,4)24-17(13)22)10(2)15(20)11-6-8-12(19)9-7-11/h6-10,13-14H,5H2,1-4H3/t10-,13+,14-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@H](C)SC2=NN=C(S2)NC3=CC=CC(=C3)C
InChI: InChI=1S/C20H28N4OS2/c1-12-7-5-9-16(11-12)21-19-23-24-20(27-19)26-15(4)18(25)22-17-10-6-8-13(2)14(17)3/h5,7,9,11,13-15,17H,6,8,10H2,1-4H3,(H,21,23)(H,22,25)/t13-,14-,15-,17+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=NOC=C5)C)O)F)C)F
InChI: InChI=1S/C26H28F3NO6S/c1-13-8-15-16-10-18(28)17-9-14(31)4-6-23(17,2)25(16,29)20(32)11-24(15,3)26(13,22(34)37-12-27)36-21(33)19-5-7-35-30-19/h4-7,9,13,15-16,18,20,32H,8,10-12H2,1-3H3/t13-,15+,16+,18+,20+,23+,24+,25+,26+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C2C([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15?,19+,20?,23+,25-,26+,28+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)CC(C=C3NC4=NC(=NN24)C)(C)C
InChI: InChI=1S/C20H24N4O2/c1-5-26-14-8-6-13(7-9-14)18-17-15(10-20(3,4)11-16(17)25)22-19-21-12(2)23-24(18)19/h6-10,17-18H,5,11H2,1-4H3,(H,21,22,23)/t17-,18-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=S)N[C@H]2CCCC[C@@H]2NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H27N3OS/c1-16(17-10-4-2-5-11-17)23-22(27)25-20-15-9-8-14-19(20)24-21(26)18-12-6-3-7-13-18/h2-7,10-13,16,19-20H,8-9,14-15H2,1H3,(H,24,26)(H2,23,25,27)/t16-,19-,20-/m0/s1
SMILES: C[C@H]1[C@@H]([NH2+][C@@H]([C@@H](C1=O)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H19F2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3/p+1/t11-,12-,17-,18+/m0/s1
SMILES: C[C@H](CC(=O)OC)[C@](C)(C#N)N(C)[C@H]1COC(O[C@H]1C2=CC=CC=C2)(C)C
InChI: InChI=1S/C21H30N2O4/c1-15(12-18(24)25-6)21(4,14-22)23(5)17-13-26-20(2,3)27-19(17)16-10-8-7-9-11-16/h7-11,15,17,19H,12-13H2,1-6H3/t15-,17+,19+,21+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C
InChI: InChI=1S/C21H32O11/c1-8-4-5-11-9(2)17(28-18-14(24)12(22)13(23)15(27-18)16(25)26)29-19-21(11)10(8)6-7-20(3,30-19)31-32-21/h8-15,17-19,22-24H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12+,13+,14-,15+,17+,18+,19-,20+,21-/m1/s1
SMILES: COC(=O)C1=CO[C@@]2([C@@H]3[C@H]1C[C@H]4[C@]3(O4)CO2)O
InChI: InChI=1S/C11H12O6/c1-14-9(12)6-3-15-11(13)8-5(6)2-7-10(8,17-7)4-16-11/h3,5,7-8,13H,2,4H2,1H3/t5-,7-,8+,10+,11+/m0/s1
SMILES: CCCCCCCC1=C(C(=CC(=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC3=CC(=C(C(=C3)O)C(=O)O)CCCCCCC
InChI: InChI=1S/C34H48O12/c1-3-5-7-9-11-13-20-15-22(36)17-25(45-34-31(40)30(39)29(38)26(19-35)46-34)28(20)33(43)44-23-16-21(14-12-10-8-6-4-2)27(32(41)42)24(37)18-23/h15-18,26,29-31,34-40H,3-14,19H2,1-2H3,(H,41,42)/t26-,29-,30+,31-,34-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=C(C=C(C=C2)OC)OC)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)O)C)C)O)C(C)C
InChI: InChI=1S/C55H69NO7/c1-36(2)44-25-20-38(4)30-51(44)63-53(59)56(34-41-22-24-43(61-6)33-50(41)62-7)35-55(60)29-27-49-46-26-21-39(31-42(57)23-19-37(3)14-13-28-54(49,55)5)32-48(46)52(58)47-18-12-11-17-45(47)40-15-9-8-10-16-40/h8-12,14-18,21-22,24,26,32-33,36,38,42,44,49,51,57,60H,13,19-20,23,25,27-31,34-35H2,1-7H3/t38-,42-,44+,49-,51-,54-,55+/m0/s1
SMILES: CC1N([C@@H]2C[C@@H](O[C@@H]2CO1)N3C=C(C(=O)NC3=O)C)O
InChI: InChI=1S/C12H17N3O5/c1-6-4-14(12(17)13-11(6)16)10-3-8-9(20-10)5-19-7(2)15(8)18/h4,7-10,18H,3,5H2,1-2H3,(H,13,16,17)/t7?,8-,9-,10-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@H]4C=CO[C@H]4O3)C[C@H](C[C@]25CO5)O)COC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C[C@H](C)O)OC(=O)C
InChI: InChI=1S/C34H50O13/c1-18-9-27(46-22(5)36)34(17-42-28(38)11-20(3)45-30(40)12-21(4)44-29(39)10-19(2)35)25(14-24(37)15-33(34)16-43-33)32(18,6)26-13-23-7-8-41-31(23)47-26/h7-8,18-21,23-27,31,35,37H,9-17H2,1-6H3/t18-,19+,20+,21+,23-,24-,25-,26+,27+,31+,32+,33+,34+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H23N3O6/c1-11-6-8-12(9-7-11)19-22-14-5-3-2-4-13(14)21(29)24(19)23-20-18(28)17(27)16(26)15(10-25)30-20/h2-9,15-18,20,23,25-28H,10H2,1H3/t15-,16-,17+,18-,20-/m1/s1
SMILES: C1C[C@@H]2[C@@H](C[C@@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1
InChI: InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t6-,7+,8+,11-/m0/s1
SMILES: C1C[C@H](C2=CC=CC=C2C1)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24N2O3/c24-19(22-18-11-5-7-14-6-1-2-8-15(14)18)12-13-23-20(25)16-9-3-4-10-17(16)21(23)26/h1-4,6,8,16-18H,5,7,9-13H2,(H,22,24)/t16-,17-,18+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)N4C=NC5=C4N=CN=C5N(C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C38H41N5O6Si/c1-38(2,3)50(4,5)49-31-28(21-46-29-22-47-37(48-32(29)31)27-19-13-8-14-20-27)42-24-41-30-33(42)39-23-40-34(30)43(35(44)25-15-9-6-10-16-25)36(45)26-17-11-7-12-18-26/h6-20,23-24,28-29,31-32,37H,21-22H2,1-5H3/t28-,29-,31-,32-,37-/m1/s1
SMILES: C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)OCC3=CC=CC=C3)O)F
InChI: InChI=1S/C15H20FNO3/c16-11-8-17-7-6-12(18)13(17)15(14(11)19)20-9-10-4-2-1-3-5-10/h1-5,11-15,18-19H,6-9H2/t11-,12-,13+,14+,15+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H](NC(=O)NC2=C)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H17Cl2N3O3/c1-10-16(18(25)23-12-4-6-13(27-2)7-5-12)17(24-19(26)22-10)11-3-8-14(20)15(21)9-11/h3-9,16-17H,1H2,2H3,(H,23,25)(H2,22,24,26)/t16-,17-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@@H](CC[C@H](N3C(=O)OCC4=CC=CC=C4)CC=C)OCC5=CC=CC=C5
InChI: InChI=1S/C40H47NO4Si/c1-5-18-34-27-28-38(43-29-32-19-10-6-11-20-32)37(41(34)39(42)44-30-33-21-12-7-13-22-33)31-45-46(40(2,3)4,35-23-14-8-15-24-35)36-25-16-9-17-26-36/h5-17,19-26,34,37-38H,1,18,27-31H2,2-4H3/t34-,37+,38-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H32N2O7SSi/c1-15-7-9-17(10-8-15)32(27,28)29-14-16-13-18(31-33(5,6)22(2,3)4)20(30-16)24-12-11-19(25)23-21(24)26/h7-12,16,18,20H,13-14H2,1-6H3,(H,23,25,26)/t16-,18-,20-/m1/s1
SMILES: CCOC1=NC[C@H]2N1[C@H](C[C@@H]([C@@H]2C)OC(=O)C)C/C(=C\C3=CC(=NC(=N3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)/[N+](=O)[O-]
InChI: InChI=1S/C33H37N5O7/c1-4-42-33-34-19-29-22(2)30(45-23(3)39)18-27(37(29)33)17-28(38(40)41)15-26-16-31(43-20-24-11-7-5-8-12-24)36-32(35-26)44-21-25-13-9-6-10-14-25/h5-16,22,27,29-30H,4,17-21H2,1-3H3/b28-15+/t22-,27+,29-,30+/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C17H20N2O5/c20-16(18-14-3-1-2-4-15(14)19(22)23)10-24-17(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,18,20)/t11-,12-,13+/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3[NH2+]2)C
InChI: InChI=1S/C18H25N3O2/c1-11-7-12(2)9-13(8-11)19-17(22)10-16-18(23)21-15-6-4-3-5-14(15)20-16/h7-9,14-16,20H,3-6,10H2,1-2H3,(H,19,22)(H,21,23)/p+1/t14-,15-,16-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7
InChI: InChI=1S/C33H32BrCl2N3O7/c1-2-46-24-5-3-4-22(27(24)40)26-20-10-11-21-25(23(20)16-32(35)30(43)38(17-34)31(44)33(26,32)36)29(42)39(28(21)41)19-8-6-18(7-9-19)37-12-14-45-15-13-37/h3-10,21,23,25-26,40H,2,11-17H2,1H3/t21-,23+,25-,26+,32+,33-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S[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)S)O)O)O)O)O)O)O
InChI: InChI=1S/C24H42O18S3/c25-1-5-17(9(29)15(35)23(44)39-5)41-22-14(34)12(32)20(8(4-28)38-22)45-24-16(36)10(30)18(6(2-26)40-24)42-21-13(33)11(31)19(43)7(3-27)37-21/h5-36,43-44H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+/m1/s1
SMILES: CCCC[C@@H](C(=O)NC1=CC=CC=C1C)N2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C31H30N2O3/c1-3-4-17-24(29(34)32-23-16-10-5-11-18(23)2)33-30(35)27-25-19-12-6-7-13-20(19)26(28(27)31(33)36)22-15-9-8-14-21(22)25/h5-16,24-28H,3-4,17H2,1-2H3,(H,32,34)/t24-,25?,26?,27-,28-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)F)O
InChI: InChI=1S/C34H53FN5O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29(43)36-28-16-17-39(33(45)37-28)31-19-25(26(21-41)50-31)52-53(47,48)49-22-27-24(42)18-30(51-27)40-20-23(35)32(44)38-34(40)46/h16-17,20,24-27,30-31,41-42H,2-15,18-19,21-22H2,1H3,(H,47,48)(H,38,44,46)(H,36,37,43,45)/t24-,25-,26+,27+,30+,31+/m0/s1
SMILES: CC1=CC(=CC=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4CCCCC4)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C27H25NO5/c1-15-8-7-9-16(14-15)22-20-21(26(32)28(25(20)31)17-10-3-2-4-11-17)27(33-22)23(29)18-12-5-6-13-19(18)24(27)30/h5-9,12-14,17,20-22H,2-4,10-11H2,1H3/t20-,21+,22+/m1/s1
SMILES: C[C@@]12CC=C(CC[C@H]1[C@@]([C@H](C2)O)(C(C)(C)O)O)CO
InChI: InChI=1S/C15H26O4/c1-13(2,18)15(19)11-5-4-10(9-16)6-7-14(11,3)8-12(15)17/h6,11-12,16-19H,4-5,7-9H2,1-3H3/t11-,12+,14+,15-/m1/s1
SMILES: C[C@@H](C(=O)OCC1=NOC(=C1)C2=CC=CO2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H18N2O6/c1-11(21-17(22)13-5-2-3-6-14(13)18(21)23)19(24)26-10-12-9-16(27-20-12)15-7-4-8-25-15/h2-4,7-9,11,13-14H,5-6,10H2,1H3/t11-,13-,14+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1/C(=N/NC3=NC(=CS3)C4=CC=CC=C4)/C2
InChI: InChI=1S/C16H15N3S/c1-2-5-11(6-3-1)15-10-20-16(17-15)19-18-14-9-12-7-4-8-13(12)14/h1-7,10,12-13H,8-9H2,(H,17,19)/b18-14+/t12-,13-/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C14H13NO3/c16-13-11-9-6-7-10(18-9)12(11)14(17)15(13)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+,11+,12-