EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)Br)C(=O)OCOC(=O)C(C)(C)C)C
InChI: InChI=1S/C14H20BrNO7S/c1-13(2,3)12(19)23-6-22-11(18)8-14(4,5)24(20,21)10-7(15)9(17)16(8)10/h7-8,10H,6H2,1-5H3/t7-,8+,10-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@H]2[C@H](CO)Br)OC)C
InChI: InChI=1S/C10H17BrO5/c1-10(2)15-7-6(5(11)4-12)14-9(13-3)8(7)16-10/h5-9,12H,4H2,1-3H3/t5-,6-,7-,8-,9-/m0/s1
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@@H]3C[C@@]([C@H]([C@@H](O3)C)OCCC(C)C)(C)OC)N(C)C)O)CC=O)C)C
InChI: InChI=1S/C44H73NO14/c1-13-34(48)57-33-24-35(49)54-28(5)17-15-14-16-18-32(47)27(4)23-31(19-21-46)40(41(33)51-11)59-43-38(50)37(45(9)10)39(29(6)56-43)58-36-25-44(8,52-12)42(30(7)55-36)53-22-20-26(2)3/h14-16,18,21,26-31,33,36-43,50H,13,17,19-20,22-25H2,1-12H3/b15-14+,18-16+/t27-,28-,29-,30+,31+,33-,36-,37-,38-,39-,40+,41+,42+,43-,44-/m1/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@]4(CC#N)O)C
InChI: InChI=1S/C21H29NO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h13,16-18,24H,3-11H2,1-2H3/t16-,17-,18+,19+,20-,21+/m0/s1
SMILES: CC(C)(C)CNCC1=C(C2=C(C[C@H]3C[C@H]4[C@@H](C(=O)C(C(=O)[C@]4(C(=O)C3C2=O)O)C(=O)N)N(C)C)C=C1)O
InChI: InChI=1S/C27H35N3O7/c1-26(2,3)11-29-10-13-7-6-12-8-14-9-15-19(30(4)5)22(33)18(25(28)36)24(35)27(15,37)23(34)17(14)21(32)16(12)20(13)31/h6-7,14-15,17-19,29,31,37H,8-11H2,1-5H3,(H2,28,36)/t14-,15-,17?,18?,19-,27-/m0/s1
SMILES: CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=CC7=C(O6)C=CC(=C7)OCC8CCOCC8)C(=C1OC)O)OC
InChI: InChI=1S/C43H50N4O10/c1-21-39(51-4)26-17-29-36-35-27(40(52-5)22(2)42(54-7)38(35)49)16-28(46(36)3)30(18-44)47(29)31(34(26)37(48)41(21)53-6)19-45-43(50)33-15-24-14-25(8-9-32(24)57-33)56-20-23-10-12-55-13-11-23/h8-9,14-15,23,28-31,36,48-49H,10-13,16-17,19-20H2,1-7H3,(H,45,50)/t28-,29-,30-,31-,36-/m0/s1
SMILES: C[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCS[C@H]4CC3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22?,23+,24-,25-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H31Br2N5O10/c1-36-22(33(46)41(35(36)48)16-8-6-5-7-9-16)14-20-18(27(36)21-15-25(53-4)31(44)29(38)28(21)37)10-11-19-26(20)34(47)40(32(19)45)17-12-23(42(49)50)30(39(2)3)24(13-17)43(51)52/h5-10,12-13,15,19-20,22,26-27,44H,11,14H2,1-4H3/t19-,20+,22-,26-,27+,36+/m0/s1
SMILES: C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)[C@H]3C[C@H]3C(=O)[O-]
InChI: InChI=1S/C15H16Cl2N2O3/c16-12-2-1-9(7-13(12)17)18-3-5-19(6-4-18)14(20)10-8-11(10)15(21)22/h1-2,7,10-11H,3-6,8H2,(H,21,22)/p-1/t10-,11+/m0/s1
SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C20H24N2OS/c1-14-18(24-19(21-14)16-8-3-2-4-9-16)20(23)22-12-11-15-7-5-6-10-17(15)13-22/h2-4,8-9,15,17H,5-7,10-13H2,1H3/t15-,17-/m0/s1
SMILES: C1=CC=C2C(=C1)C3([C@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=C(C=C6)Br)Br
InChI: InChI=1S/C24H14Br3NO2/c25-13-9-11-14(12-10-13)28-21(29)19-20(22(28)30)24(27)16-6-2-1-5-15(16)23(19,26)17-7-3-4-8-18(17)24/h1-12,19-20H/t19-,20-,23?,24?/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=C6)Cl)Cl)C7=CC=C(C=C7)OC)C(=O)N(C4=O)C8=CC=C(C=C8)Cl)O
InChI: InChI=1S/C41H34Cl3N3O7/c1-3-54-34-18-21(4-17-33(34)48)36-27-14-15-28-35(39(51)46(37(28)49)25-10-7-23(42)8-11-25)29(27)20-30-38(50)47(45-32-16-9-24(43)19-31(32)44)40(52)41(30,36)22-5-12-26(53-2)13-6-22/h4-14,16-19,28-30,35-36,45,48H,3,15,20H2,1-2H3/t28-,29+,30-,35-,36-,41+/m0/s1
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)OC
InChI: InChI=1S/C23H24O12/c1-31-15-7-14-17(19(28)22(15)32-2)11(26)6-13(33-14)9-3-4-12(10(25)5-9)34-23-21(30)20(29)18(27)16(8-24)35-23/h3-7,16,18,20-21,23-25,27-30H,8H2,1-2H3/t16-,18-,20+,21-,23-/m0/s1
SMILES: C[N+](C)(CCN1C(=O)[C@@H]2[C@H](C=C[C@@H]([C@@H]2C1=O)C3=CC=CC=C3)C4=CC=CC=C4)CC#N
InChI: InChI=1S/C26H28N3O2/c1-29(2,17-15-27)18-16-28-25(30)23-21(19-9-5-3-6-10-19)13-14-22(24(23)26(28)31)20-11-7-4-8-12-20/h3-14,21-24H,16-18H2,1-2H3/q+1/t21-,22-,23-,24+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N\NC(=O)[C@@H]3[C@H]4[C@@]3(CCCC4)C
InChI: InChI=1S/C23H26N2O4/c1-3-28-22(27)16-9-7-15(8-10-16)19-12-11-17(29-19)14-24-25-21(26)20-18-6-4-5-13-23(18,20)2/h7-12,14,18,20H,3-6,13H2,1-2H3,(H,25,26)/b24-14-/t18-,20-,23-/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@@H](O1)N2C=CC3=CC=CC=C32)O)O)O
InChI: InChI=1S/C13H15NO4/c15-10-7-18-13(12(17)11(10)16)14-6-5-8-3-1-2-4-9(8)14/h1-6,10-13,15-17H,7H2/t10-,11-,12+,13-/m1/s1
SMILES: C[C@]1(C[C@]2([C@@H](CC[C@@H]1[C@H]2OCOC)[C@](C)([C@@H]3C[C@@H](C(C3=O)(C)C)O[Si](C)(C)C(C)(C)C)O)CC=O)OCOC
InChI: InChI=1S/C30H54O8Si/c1-26(2,3)39(10,11)38-23-16-21(24(32)27(23,4)5)29(7,33)22-13-12-20-25(36-18-34-8)30(22,14-15-31)17-28(20,6)37-19-35-9/h15,20-23,25,33H,12-14,16-19H2,1-11H3/t20-,21-,22+,23+,25-,28-,29+,30+/m1/s1
SMILES: C[C@@]12CCC3(CCC(CC3C1=CCC4C2(CCC5C4(CCC(C5(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)(C)C)C(=O)O
InChI: InChI=1S/C42H64O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,19,21-32,34-35,43,45-49H,8-18H2,1-6H3,(H,50,51)(H,52,53)/t21?,22-,23?,24?,25?,26+,27+,28+,29+,30-,31+,32-,34+,35-,38?,39?,40-,41?,42?/m1/s1
SMILES: C[C@@H]1C[C@H]([C@H](C(=O)O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H17ClO2/c1-12-11-16(13-7-9-15(19)10-8-13)17(18(20)21-12)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16+,17-/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(=C4)CNC(=O)CCCCCNC(=O)C)CN(CC=C)C5CCCC5
InChI: InChI=1S/C42H55N3O5/c1-4-25-45(38-13-7-8-14-38)28-39-30(2)41(35-18-16-32(29-46)17-19-35)50-42(49-39)36-22-20-34(21-23-36)37-12-10-11-33(26-37)27-44-40(48)15-6-5-9-24-43-31(3)47/h4,10-12,16-23,26,30,38-39,41-42,46H,1,5-9,13-15,24-25,27-29H2,2-3H3,(H,43,47)(H,44,48)/t30-,39+,41+,42+/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N1CC[C@H]2CCCC[C@@H]2C1)NC(=O)N
InChI: InChI=1S/C16H29N3O2/c1-3-11(2)14(18-16(17)21)15(20)19-9-8-12-6-4-5-7-13(12)10-19/h11-14H,3-10H2,1-2H3,(H3,17,18,21)/t11-,12+,13+,14-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC=C4)I
InChI: InChI=1S/C22H16IN3O/c1-14(27)21-20(16-6-4-7-17(23)11-16)22(12-24,13-25)19-10-9-15-5-2-3-8-18(15)26(19)21/h2-11,19-21H,1H3/t19-,20+,21+/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)NC(=O)[C@@H](CCS(=O)(=O)C)N)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C
InChI: InChI=1S/C28H43N3O5S2/c1-26(2)21-9-12-28(26,24(18-21)30-25(32)23(29)10-17-37(3,33)34)19-38(35,36)31-15-13-27(14-16-31)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24H,8-19,29H2,1-3H3,(H,30,32)/t21-,23-,24+,28-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](OC3=CC=CC=C3O2)CNCCOC4=C(C=CC=C4OC)OC
InChI: InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)NO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)C3=CC=C(C=C3)C4(N=N4)C(F)(F)F
InChI: InChI=1S/C35H49F3N10O8S/c1-19(2)15-23(32(54)46-56)42-28(51)17-40-27(50)16-41-31(53)22(43-30(52)20-10-12-21(13-11-20)34(47-48-34)35(36,37)38)7-5-6-14-39-26(49)9-4-3-8-25-29-24(18-57-25)44-33(55)45-29/h10-13,19,22-25,29,56H,3-9,14-18H2,1-2H3,(H,39,49)(H,40,50)(H,41,53)(H,42,51)(H,43,52)(H,46,54)(H2,44,45,55)/t22-,23-,24-,25-,29-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2[C@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C17H21NO4/c1-22-13-8-6-12(7-9-13)18-16(19)14-10-2-4-11(5-3-10)15(14)17(20)21/h6-11,14-15H,2-5H2,1H3,(H,18,19)(H,20,21)/p-1/t10?,11?,14-,15+/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)N(C(=O)N2C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C17H14ClFN2O3S/c18-11-2-1-3-14(8-11)21-16-10-25(23,24)9-15(16)20(17(21)22)13-6-4-12(19)5-7-13/h1-8,15-16H,9-10H2/t15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)NC3=NC=CS3)C4=CC=CS4
InChI: InChI=1S/C19H17N3O2S2/c1-12-4-6-13(7-5-12)22-16(23)11-14(17(22)15-3-2-9-25-15)18(24)21-19-20-8-10-26-19/h2-10,14,17H,11H2,1H3,(H,20,21,24)/t14-,17+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OP(=O)(O)O)OP(=O)(O)O)N)OP(=O)(O)O
InChI: InChI=1S/C20H28NO14P3/c21-15-16(33-36(22,23)24)18(31-11-13-7-3-1-4-8-13)19(32-12-14-9-5-2-6-10-14)20(35-38(28,29)30)17(15)34-37(25,26)27/h1-10,15-20H,11-12,21H2,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t15-,16-,17+,18-,19-,20-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)NN=C3C(=O)OC)C
InChI: InChI=1S/C15H15N3O4/c1-7-4-5-9(6-8(7)2)18-13(19)10-11(14(18)20)16-17-12(10)15(21)22-3/h4-6,10-11,16H,1-3H3/t10-,11+/m1/s1
SMILES: CC(C)(C)N1C[C@H](CC1C(=O)NC[C@H](C[C@@H](CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)OC6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C46H58N4O7/c1-46(2,3)50-30-39(57-38-17-14-32-8-4-5-9-33(32)26-38)28-41(50)45(54)47-29-36(51)25-35(44(53)48-43-40-11-7-6-10-34(40)27-42(43)52)24-31-12-15-37(16-13-31)56-23-20-49-18-21-55-22-19-49/h4-17,26,35-36,39,41-43,51-52H,18-25,27-30H2,1-3H3,(H,47,54)(H,48,53)/t35-,36+,39+,41?,42-,43+/m1/s1
SMILES: CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C#N)OCC
InChI: InChI=1S/C32H37N2O14P/c1-7-42-49(40,43-8-2)17-21-9-11-22(12-10-21)30(38)34-25-14-13-24(15-23(25)16-33)47-32-29(46-20(5)37)27(45-19(4)36)26(44-18(3)35)28(48-32)31(39)41-6/h9-15,26-29,32H,7-8,17H2,1-6H3,(H,34,38)/t26-,27-,28-,29+,32+/m0/s1
SMILES: CC(C)N(C(C)C)P(OC)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C4=NC=NC(=C4NC3=O)NC(=O)C)OC(O2)(C)C
InChI: InChI=1S/C22H35N6O7P/c1-11(2)28(12(3)4)36(31-8)32-9-14-16-17(35-22(6,7)34-16)20(33-14)27-19-15(26-21(27)30)18(23-10-24-19)25-13(5)29/h10-12,14,16-17,20H,9H2,1-8H3,(H,26,30)(H,23,24,25,29)/t14-,16-,17-,20-,36?/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](C(NC(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCC4=NC(=NO4)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C42H63ClN6O11/c1-12-30-42(8)34(49(40(54)59-42)44-19-13-14-31-46-36(47-60-31)27-15-17-28(43)18-16-27)26(6)45-37(52)22(2)21-41(7,55-11)35(24(4)32(50)25(5)38(53)57-30)58-39-33(51)29(48(9)10)20-23(3)56-39/h15-18,22-26,29-30,33-35,39,44,51H,12-14,19-21H2,1-11H3,(H,45,52)/t22-,23-,24+,25-,26?,29+,30-,33-,34-,35-,39+,41+,42-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3
InChI: InChI=1S/C22H29N5OS/c1-16-7-6-10-20(17(16)2)24-22(29)26-25-21(28)12-11-19-13-23-27(15-19)14-18-8-4-3-5-9-18/h3-5,8-9,11-13,15-17,20H,6-7,10,14H2,1-2H3,(H,25,28)(H2,24,26,29)/b12-11+/t16-,17+,20-/m0/s1
SMILES: CCCN1C=[N+]([C@H]([C@H]1C2=C(C=C(C=C2)O)Cl)C3=C(C=C(C=C3)O)Cl)CCC
InChI: InChI=1S/C21H24Cl2N2O2/c1-3-9-24-13-25(10-4-2)21(17-8-6-15(27)12-19(17)23)20(24)16-7-5-14(26)11-18(16)22/h5-8,11-13,20-21H,3-4,9-10H2,1-2H3,(H-,26,27)/p+1/t20-,21+
SMILES: C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)CSCC(=O)[O-]
InChI: InChI=1S/C14H22N2O3S/c1-2-10-7-16-4-3-11(10)5-12(16)6-15-13(17)8-20-9-14(18)19/h2,10-12H,1,3-9H2,(H,15,17)(H,18,19)/t10-,11-,12+/m0/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@@H]1COC3=CC4=C(C=C3)C=CC(=O)O4)(CC(=O)C2(C)C)C
InChI: InChI=1S/C23H26O4/c1-14-5-9-19-22(2,3)20(24)12-23(19,4)17(14)13-26-16-8-6-15-7-10-21(25)27-18(15)11-16/h5-8,10-11,17,19H,9,12-13H2,1-4H3/t17-,19+,23-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)C[C@@]4(CC3)C)C)C)O
InChI: InChI=1S/C24H32O5/c1-13(25)29-20-18(28)19-21(2,3)17(27)8-10-23(19,5)15-7-9-22(4)12-14(26)11-16(22)24(15,20)6/h8,10-11,15,18-20,28H,7,9,12H2,1-6H3/t15-,18-,19?,20-,22+,23-,24-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O)N.O.O.O.[Na+].[Na+]
InChI: InChI=1S/C10H16N5O13P3.2Na.3H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;3*1H2/q;2*+1;;;/p-2/t4-,6-,7-,10-;;;;;/m1...../s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CC(=O)NC3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C18H24F2N2O2/c19-18(20)24-15-9-7-14(8-10-15)21-17(23)12-22-11-3-5-13-4-1-2-6-16(13)22/h7-10,13,16,18H,1-6,11-12H2,(H,21,23)/p+1/t13-,16-/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=CC6=CC=CC=C65)O)C(=O)N(C4=O)CCCC(=O)O)Cl
InChI: InChI=1S/C29H26Cl2N2O7/c1-32-26(39)28(30)13-18-16(9-10-17-21(18)25(38)33(24(17)37)12-4-7-20(35)36)23(29(28,31)27(32)40)22-15-6-3-2-5-14(15)8-11-19(22)34/h2-3,5-6,8-9,11,17-18,21,23,34H,4,7,10,12-13H2,1H3,(H,35,36)/t17-,18+,21-,23+,28+,29-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OC)N1C(=O)[C@@H]2[C@@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C25H25NO4/c1-13(2)12-18(25(29)30-3)26-23(27)21-19-14-8-4-5-9-15(14)20(22(21)24(26)28)17-11-7-6-10-16(17)19/h4-11,13,18-22H,12H2,1-3H3/t18-,19?,20?,21-,22-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@]1(CO2)CCC3=CC=CC=C3)C/C=C\CCCC(=O)O)COCC4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C29H35NO6/c31-28(32)14-7-2-1-6-13-26-25(20-35-19-23-11-8-12-24(17-23)30(33)34)27-18-29(26,21-36-27)16-15-22-9-4-3-5-10-22/h1,3-6,8-12,17,25-27H,2,7,13-16,18-21H2,(H,31,32)/b6-1-/t25-,26-,27-,29-/m1/s1
SMILES: CO[C@@H]1C=C(C[C@H]([C@@H]1[N+](=O)[O-])COCC2=CC=CC=C2)C=O
InChI: InChI=1S/C16H19NO5/c1-21-15-8-13(9-18)7-14(16(15)17(19)20)11-22-10-12-5-3-2-4-6-12/h2-6,8-9,14-16H,7,10-11H2,1H3/t14-,15+,16-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC6=CC=CC=C6C=C5)OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C55H64N2O7/c1-6-28-57(53(60)42-23-22-37-16-8-10-18-39(37)32-42)50-36-48(56-64-54(3,4)5)46-34-41(20-12-14-29-58)45(21-13-15-30-59)51-47-35-44(62-43-25-24-38-17-9-11-19-40(38)33-43)26-27-49(47)63-55(50,52(46)51)61-31-7-2/h7-11,16-19,22-27,32-35,41,45,50-52,58-59H,2,6,12-15,20-21,28-31,36H2,1,3-5H3/t41-,45+,50-,51+,52+,55+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2C=CS[C@@H]2COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H18O4S/c21-19(15-7-3-1-4-8-15)23-13-17-11-12-25-18(17)14-24-20(22)16-9-5-2-6-10-16/h1-12,17-18H,13-14H2/t17-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C)C)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)(C)O
InChI: InChI=1S/C33H37N5O11S/c1-18-26-25(33(2,3)43)30(40)36(26)27(31(41)48-16-19-6-10-21(11-7-19)37(44)45)28(18)50-23-14-24(29(39)34(4)5)35(15-23)32(42)49-17-20-8-12-22(13-9-20)38(46)47/h6-13,18,23-26,43H,14-17H2,1-5H3/t18-,23+,24+,25-,26-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)OC3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O
InChI: InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23?;/m1./s1
SMILES: C=C1[C@H]([C@H](NC(=O)N1)C2=CC=CC=C2F)C(=O)N3CCOCC3
InChI: InChI=1S/C16H18FN3O3/c1-10-13(15(21)20-6-8-23-9-7-20)14(19-16(22)18-10)11-4-2-3-5-12(11)17/h2-5,13-14H,1,6-9H2,(H2,18,19,22)/t13-,14-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O[C@@H]1C(OC)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H40O6Si2/c1-18(2,3)26(9,10)24-13-14(25-27(11,12)19(4,5)6)16(20)23-15(13)17(21-7)22-8/h13-15,17H,1-12H3/t13-,14-,15+/m1/s1
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2(C1CCC3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C
InChI: InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21?,22-,23-,24?,27-,28+,29+,30-/m0/s1
SMILES: C[C@H]1[C@H](N=C(O1)C2=CC=CC=C2)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)OP(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C37H34NO2P/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,29,35H,27-28H2,1H3/t29-,35-/m0/s1
SMILES: CCCC(=C1C[C@H](C[C@@H](C1)O)O)/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C
InChI: InChI=1S/C29H50O3/c1-6-9-21(23-17-24(30)19-25(31)18-23)16-22-11-8-15-29(5)26(12-13-27(22)29)20(2)10-7-14-28(3,4)32/h16,20,24-27,30-32H,6-15,17-19H2,1-5H3/b22-16+/t20-,24-,25-,26-,27+,29-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)OC(O2)(C)O[C@@H]3[C@H](O[C@@H]([C@H]([C@H]3OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC=C)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C52H48O16/c1-4-30-58-50-43(65-49(57)37-28-18-9-19-29-37)42(64-48(56)36-26-16-8-17-27-36)40(38(61-50)31-59-45(53)33-20-10-5-11-21-33)66-52(3)67-44-41(63-47(55)35-24-14-7-15-25-35)39(32(2)60-51(44)68-52)62-46(54)34-22-12-6-13-23-34/h4-29,32,38-44,50-51H,1,30-31H2,2-3H3/t32-,38+,39-,40+,41+,42-,43-,44+,50-,51+,52?/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=C(C=C6)OC(F)(F)F)C(=O)OC7=CC8=CC=CC=C8C=C7)O)C(=C5)C(=O)C9=CC=C(C=C9)OC)O)C
InChI: InChI=1S/C49H50F3NO7/c1-44-21-18-35(54)27-46(44)24-25-48(39(28-46)42(55)33-11-15-36(58-3)16-12-33)40(44)19-22-45(2)41(48)20-23-47(45,57)30-53(29-31-8-13-37(14-9-31)60-49(50,51)52)43(56)59-38-17-10-32-6-4-5-7-34(32)26-38/h4-17,24-26,28,35,40-41,54,57H,18-23,27,29-30H2,1-3H3/t35?,40-,41-,44-,45+,46+,47-,48-/m1/s1
SMILES: CN1C[C@H]2C[C@@H](C1)[C@@H](N(C2)C(=O)C3=CC=CC=C3)CCC=C
InChI: InChI=1S/C19H26N2O/c1-3-4-10-18-17-11-15(12-20(2)14-17)13-21(18)19(22)16-8-6-5-7-9-16/h3,5-9,15,17-18H,1,4,10-14H2,2H3/t15-,17+,18+/m1/s1
SMILES: CC1=C(SC(=N1)NC(=O)CN(CCCN(C)C)C(=O)[C@H]2C[C@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C22H30N4O2S/c1-15-16(2)29-22(23-15)24-20(27)14-26(12-8-11-25(3)4)21(28)19-13-18(19)17-9-6-5-7-10-17/h5-7,9-10,18-19H,8,11-14H2,1-4H3,(H,23,24,27)/t18-,19-/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCCC(=O)O)SC1)C(=O)O
InChI: InChI=1S/C16H20N2O8S/c1-8(19)26-6-9-7-27-15-12(14(23)18(15)13(9)16(24)25)17-10(20)4-2-3-5-11(21)22/h12,15H,2-7H2,1H3,(H,17,20)(H,21,22)(H,24,25)/t12-,15-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C23H26N2O3/c1-28-21-10-8-20(9-11-21)25-23(27)16-4-6-19(7-5-16)24-22(26)14-18-13-15-2-3-17(18)12-15/h4-11,15,17-18H,2-3,12-14H2,1H3,(H,24,26)(H,25,27)/t15-,17-,18-/m0/s1
SMILES: CC(=O)OC[C@@H](C(=C)CC[C@H]1C(=CC[C@@H]2[C@@]1(CCCC2(C)C)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C25H38O6/c1-16(21(31-18(3)27)15-30-17(2)26)9-11-20-19(23(28)29-7)10-12-22-24(4,5)13-8-14-25(20,22)6/h10,20-22H,1,8-9,11-15H2,2-7H3/t20-,21-,22-,25+/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CO3)(CC4=CC=C(C=C4)O)C(=O)OCC
InChI: InChI=1S/C22H24N2O6/c1-3-24-19(26)16-17(20(24)27)22(21(28)29-4-2,12-13-7-9-14(25)10-8-13)23-18(16)15-6-5-11-30-15/h5-11,16-18,23,25H,3-4,12H2,1-2H3/t16-,17+,18+,22-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CS5
InChI: InChI=1S/C26H19N3O2S/c1-31-19-11-8-18(9-12-19)25(30)24-23(21-7-4-14-32-21)26(15-27,16-28)22-13-10-17-5-2-3-6-20(17)29(22)24/h2-14,22-24H,1H3/t22-,23+,24-/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C(=CC=C5)C(=O)[O-]
InChI: InChI=1S/C23H25NO2/c1-2-13-6-8-14(9-7-13)21-20-16-11-10-15(12-16)19(20)17-4-3-5-18(23(25)26)22(17)24-21/h3-9,15-16,19-21,24H,2,10-12H2,1H3,(H,25,26)/p-1/t15-,16+,19+,20+,21+/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)C)OC)C)O
InChI: InChI=1S/C23H29O4.3C4H9.Sn/c1-5-23(25)11-10-19-18-8-6-15-12-16(27-14(2)24)7-9-17(15)21(18)20(26-4)13-22(19,23)3;3*1-3-4-2;/h1,5,7,9,12,18-21,25H,6,8,10-11,13H2,2-4H3;3*1,3-4H2,2H3;/t18-,19-,20-,21+,22-,23-;;;;/m0..../s1
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10+,12+,13+,15+/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=C4CNC(=O)C5=CC=CC=C5)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C48H42N2O5S/c1-32-42(31-56-48-50-43(35-13-5-2-6-14-35)45(55-48)36-15-7-3-8-16-36)53-47(54-44(32)37-23-21-33(30-51)22-24-37)39-27-25-34(26-28-39)41-20-12-11-19-40(41)29-49-46(52)38-17-9-4-10-18-38/h2-28,32,42,44,47,51H,29-31H2,1H3,(H,49,52)/t32-,42+,44+,47+/m0/s1
SMILES: C[C@@]1(CCN(C[C@H]1O)CCOC2=CC=C(C=C2)C#CC3=C(C=C(C=N3)C4=CC=C(C=C4)Cl)F)O
InChI: InChI=1S/C27H26ClFN2O3/c1-27(33)12-13-31(18-26(27)32)14-15-34-23-9-2-19(3-10-23)4-11-25-24(29)16-21(17-30-25)20-5-7-22(28)8-6-20/h2-3,5-10,16-17,26,32-33H,12-15,18H2,1H3/t26-,27+/m1/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CCCC4)C)O)C
InChI: InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18?,19+,20?,21?,22-,24-,25+/m0/s1
SMILES: CC(C)CN1C(=O)N(C(=O)C12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6(CCCC6)C)C
InChI: InChI=1S/C32H46N4O3/c1-22(2)18-36-30(39)33(4)29(38)32(36)16-25-12-13-26(17-32)35(25)20-24-19-34(28(37)31(3)14-8-9-15-31)21-27(24)23-10-6-5-7-11-23/h5-7,10-11,22,24-27H,8-9,12-21H2,1-4H3/t24-,25?,26?,27-,32?/m1/s1
SMILES: C1CCN(CC1)C(=O)[C@]2([C@@H](O2)C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)O
InChI: InChI=1S/C21H23NO3/c23-18(16-10-4-1-5-11-16)21(20(24)22-14-8-3-9-15-22)19(25-21)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19,23H,3,8-9,14-15H2/t18-,19+,21-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC2=C1C=C(O2)CCCCC(=O)O)O)O.C(C(CO)(CO)N)O
InChI: InChI=1S/C20H30O5.C4H11NO3/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;5-4(1-6,2-7)3-8/h10-12,14,16,18,21-22H,2-9,13H2,1H3,(H,23,24);6-8H,1-3,5H2/b11-10+;/t14-,16+,18+;/m0./s1
SMILES: CC[Si](CC)(CC)O[C@@H](CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2)[C@@H]3CCC[C@H]3C(=O)OCC[Si](C)(C)C
InChI: InChI=1S/C27H46N4O5SSi2/c1-7-39(8-2,9-3)36-25(23-16-13-17-24(23)26(32)35-19-21-38(4,5)6)18-20-37(33,34)27-28-29-30-31(27)22-14-11-10-12-15-22/h10-12,14-15,23-25H,7-9,13,16-21H2,1-6H3/t23-,24-,25+/m1/s1
SMILES: C[N+]1(CC[C@@H]2[C@H](C1)C3=CC=CC=C3N2C(=O)C4=CC=CC=C4Cl)C
InChI: InChI=1S/C20H22ClN2O/c1-23(2)12-11-19-16(13-23)14-7-4-6-10-18(14)22(19)20(24)15-8-3-5-9-17(15)21/h3-10,16,19H,11-13H2,1-2H3/q+1/t16-,19-/m1/s1
SMILES: C[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)O
InChI: InChI=1S/C19H34N2O12/c1-7(24)6-30-18-13(21-9(3)26)16(29)17(11(5-23)32-18)33-19-12(20-8(2)25)15(28)14(27)10(4-22)31-19/h7,10-19,22-24,27-29H,4-6H2,1-3H3,(H,20,25)(H,21,26)/t7-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=NC=C(C=C3)Cl
InChI: InChI=1S/C18H18ClN3O5/c19-11-5-6-14(20-9-11)21-15(23)10-27-16(24)7-8-22-17(25)12-3-1-2-4-13(12)18(22)26/h1-2,5-6,9,12-13H,3-4,7-8,10H2,(H,20,21,23)/t12-,13-/m1/s1
SMILES: C1[C@H]([C@H]([C@H](OC1O)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C54H58O10/c55-49-31-46(57-33-41-21-9-2-10-22-41)50(58-34-42-23-11-3-12-24-42)48(63-49)39-62-54-53(61-37-45-29-17-6-18-30-45)52(60-36-44-27-15-5-16-28-44)51(59-35-43-25-13-4-14-26-43)47(64-54)38-56-32-40-19-7-1-8-20-40/h1-30,46-55H,31-39H2/t46-,47-,48-,49?,50-,51+,52+,53-,54+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@H](C3=CC=CC=C3O2)O)[N+](=O)[O-]
InChI: InChI=1S/C15H13NO4/c17-14-11-8-4-5-9-12(11)20-15(13(14)16(18)19)10-6-2-1-3-7-10/h1-9,13-15,17H/t13-,14-,15+/m0/s1
SMILES: CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO.CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI: InChI=1S/C21H22N2O5S.C19H35N3O5/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t15-,16+,19-;/m1./s1
SMILES: COC1=C(C=C(C=C1)CCN2C[C@@]34C=C[C@@H](O3)[C@H]([C@@H]4C2=O)C(=O)O)OC
InChI: InChI=1S/C19H21NO6/c1-24-12-4-3-11(9-14(12)25-2)6-8-20-10-19-7-5-13(26-19)15(18(22)23)16(19)17(20)21/h3-5,7,9,13,15-16H,6,8,10H2,1-2H3,(H,22,23)/t13-,15-,16-,19-/m1/s1