EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O
InChI: InChI=1S/C15H23N5O13P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(24)11(23)8(32-15)3-31-35(27,28)33-34(25,26)30-2-7-10(22)6(21)1-29-7/h4-8,10-12,15,21-24H,1-3H2,(H,25,26)(H,27,28)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
SMILES: C[C@@H](CCC1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)CCO
InChI: InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16?,17+,19+,20-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](C(O1)OC(=N)C(Cl)(Cl)Cl)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H28Cl3NO5/c29-28(30,31)27(32)37-26-25(35-18-22-14-8-3-9-15-22)24(34-17-21-12-6-2-7-13-21)23(19-36-26)33-16-20-10-4-1-5-11-20/h1-15,23-26,32H,16-19H2/t23-,24+,25-,26?/m1/s1
SMILES: C[C@H]1[C@H](OC(O1)(C)C)C[C@@H]2C/C(=C\CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)/[C@@H]([C@@](O2)(C(C)(C)CS(=O)(=O)C5=CC=CC=C5)O)OCOCC[Si](C)(C)C
InChI: InChI=1S/C46H68O9SSi2/c1-35-41(55-45(7,8)53-35)32-37-31-36(27-28-52-58(43(2,3)4,39-23-17-13-18-24-39)40-25-19-14-20-26-40)42(51-34-50-29-30-57(9,10)11)46(47,54-37)44(5,6)33-56(48,49)38-21-15-12-16-22-38/h12-27,35,37,41-42,47H,28-34H2,1-11H3/b36-27+/t35-,37-,41+,42-,46+/m0/s1
SMILES: C[C@H]1[C@@H](N(C(=O)O1)C(=O)C)C(=O)N[C@@H](C)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C17H20N2O6/c1-10(16(22)24-9-13-7-5-4-6-8-13)18-15(21)14-11(2)25-17(23)19(14)12(3)20/h4-8,10-11,14H,9H2,1-3H3,(H,18,21)/t10-,11-,14+/m0/s1
SMILES: CC(=O)SCCOP(=O)(OCCSC(=O)C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O
InChI: InChI=1S/C17H25FN3O10PS2/c1-9(22)33-5-3-28-32(27,29-4-6-34-10(2)23)30-8-12-13(24)14(25)16(31-12)21-7-11(18)15(19)20-17(21)26/h7,12-14,16,24-25H,3-6,8H2,1-2H3,(H2,19,20,26)/t12-,13-,14-,16-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC(=C(C=C3)N)I)C(=O)OC
InChI: InChI=1S/C17H21IN2O4/c1-20-10-4-6-13(20)15(17(22)23-2)14(8-10)24-16(21)9-3-5-12(19)11(18)7-9/h3,5,7,10,13-15H,4,6,8,19H2,1-2H3/t10-,13+,14-,15+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)C
InChI: InChI=1S/C21H21NO5/c1-11-3-4-13(7-12(11)2)16(23)10-27-17(24)9-22-20(25)18-14-5-6-15(8-14)19(18)21(22)26/h3-7,14-15,18-19H,8-10H2,1-2H3/t14-,15+,18-,19-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COS(=O)(=O)C)OC(=O)CCC(=O)OC)C)O)F)C
InChI: InChI=1S/C28H37FO10S/c1-16-12-20-19-7-6-17-13-18(30)10-11-25(17,2)27(19,29)21(31)14-26(20,3)28(16,22(32)15-38-40(5,35)36)39-24(34)9-8-23(33)37-4/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CC3=CC=CC=C3)N2CC4=CC=CC=C4
InChI: InChI=1S/C20H20N2O3S2/c23-19(11-15-7-3-1-4-8-15)21-20-22(12-16-9-5-2-6-10-16)17-13-27(24,25)14-18(17)26-20/h1-10,17-18H,11-14H2/t17-,18+/m1/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2SC)C(=O)[O-])C
InChI: InChI=1S/C17H21NO3S/c1-10-8-12(13(17(20)21)9-11(10)2)16(19)18-14-6-4-5-7-15(14)22-3/h4-7,12-13H,8-9H2,1-3H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@@]34C5=CC=CC=C5N([C@@]36CC[C@]7(C[C@@H]6[C@@H](O4)OC)CC(CN7)SC8=CC=CC=C8)C(=O)OC
InChI: InChI=1S/C44H52N2O5SSi/c1-41(2,3)53(34-19-11-7-12-20-34,35-21-13-8-14-22-35)50-28-27-44-36-23-15-16-24-38(36)46(40(47)49-5)43(44)26-25-42(30-37(43)39(48-4)51-44)29-33(31-45-42)52-32-17-9-6-10-18-32/h6-24,33,37,39,45H,25-31H2,1-5H3/t33?,37-,39-,42-,43-,44-/m1/s1
SMILES: COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)NC(=O)N(CCCl)N=O)O
InChI: InChI=1S/C10H18ClN3O7/c1-20-9-8(17)6(7(16)5(4-15)21-9)12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6+,7-,8-,9?/m1/s1
SMILES: C[C@@H](C(=C(Cl)Cl)Cl)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N
InChI: InChI=1S/C12H14Cl3NO3/c1-6(9(13)10(14)15)19-12(18)8-5-3-2-4-7(8)11(16)17/h2-3,6-8H,4-5H2,1H3,(H2,16,17)/t6-,7-,8+/m0/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=N1)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C#N)OCC
InChI: InChI=1S/C17H16Cl2N4O2/c1-3-24-17(25-4-2)16(9-21)13(15(16,8-20)14(22)23-17)11-6-5-10(18)7-12(11)19/h5-7,13H,3-4H2,1-2H3,(H2,22,23)/t13-,15-,16-/m1/s1
SMILES: C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)C2=CC(=CC=C2)C(=O)O)O)O
InChI: InChI=1S/C14H14O7/c15-10-6-14(21,13(19)20)5-9(11(10)16)7-2-1-3-8(4-7)12(17)18/h1-5,10-11,15-16,21H,6H2,(H,17,18)(H,19,20)/t10-,11-,14+/m1/s1
SMILES: C1C[C@@H]2N(CC[C@H]([C@@H]1NCC3=CC=CC=C3)O2)C(=O)CC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H24Cl2N2O2/c23-17-7-6-16(12-18(17)24)13-21(27)26-11-10-20-19(8-9-22(26)28-20)25-14-15-4-2-1-3-5-15/h1-7,12,19-20,22,25H,8-11,13-14H2/t19-,20-,22-/m1/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C(=CC=C4)Cl)NC3=O)[NH2+][C@H]2C(C)C
InChI: InChI=1S/C20H24ClN3O3/c1-4-5-9-24-17(25)13-14(18(24)26)20(23-15(13)10(2)3)11-7-6-8-12(21)16(11)22-19(20)27/h6-8,10,13-15,23H,4-5,9H2,1-3H3,(H,22,27)/p+1/t13-,14-,15-,20+/m0/s1
SMILES: CC(=O)N1C2=CC=CC=C2[C@@](C1=O)([C@@H]3[C@H](OC4=CC=CC=C34)Cl)O
InChI: InChI=1S/C18H14ClNO4/c1-10(21)20-13-8-4-3-7-12(13)18(23,17(20)22)15-11-6-2-5-9-14(11)24-16(15)19/h2-9,15-16,23H,1H3/t15-,16-,18-/m0/s1
SMILES: CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@@H]2CNCCCCCCC[C@@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)C(=O)C(=O)NCC=C)C
InChI: InChI=1S/C38H61N7O7/c1-9-16-40-33(50)31(48)24-15-13-11-10-12-14-17-39-20-25(34(51)45-21-23-29(38(23,7)8)30(45)32(49)41-24)42-35(52)43-26(36(2,3)4)22-44-27(46)18-37(5,6)19-28(44)47/h9,23-26,29-30,39H,1,10-22H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t23-,24+,25+,26+,29-,30-/m0/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI: InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21+,22-,23-,24-,25-,26-,27+,28+/m0/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C)C)C(C)C)[C@@H](CCCC)[C@H](C)C(=O)OC(C)(C)C
InChI: InChI=1S/C20H39BO4/c1-10-11-12-16(15(6)19(22)23-20(7,8)9)21-24-17(13(2)3)18(25-21)14(4)5/h13-18H,10-12H2,1-9H3/t15-,16-,17-,18-/m0/s1
SMILES: C[C@]1(C[C@@H]([C@@H]2[C@@H]([C@H]1C(=C)CO)OC(=O)C2=C)O)C=C
InChI: InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1
SMILES: C1=CC=C(C=C1)COCC2=C[C@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N
InChI: InChI=1S/C35H37NO4/c36-32-21-31(26-37-22-27-13-5-1-6-14-27)33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(32)39-24-29-17-9-3-10-18-29/h1-21,32-35H,22-26,36H2/t32-,33-,34+,35+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=CO4
InChI: InChI=1S/C19H15NO5/c21-17-14-7-1-2-8-15(14)18(22)20(17)12-5-3-6-13(11-12)25-19(23)16-9-4-10-24-16/h1-6,9-11,14-15H,7-8H2/t14-,15+
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=C(C=C5)F
InChI: InChI=1S/C24H19FN2O4/c1-30-19-13-11-17(12-14-19)26-23(28)20-21(15-7-9-16(25)10-8-15)27(31-22(20)24(26)29)18-5-3-2-4-6-18/h2-14,20-22H,1H3/t20-,21-,22-/m1/s1
SMILES: C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)OC(=O)C[131I])O)CO)O)OC(=O)C[131I]
InChI: InChI=1S/C27H36I2O10/c1-24-9-18(39-22(34)11-29)23-17(27(24,36)5-3-16(24)14-6-20(32)37-12-14)2-4-25(35)8-15(38-21(33)10-28)7-19(31)26(23,25)13-30/h6,15-19,23,30-31,35-36H,2-5,7-13H2,1H3/t15-,16+,17+,18+,19+,23+,24+,25-,26+,27-/m0/s1/i28+4,29+4
SMILES: C1CC2=C1C[C@]34CC5=C(C[C@@]3(C2)C(=O)OC4=O)[C@@H]6C[C@H]5C=C6
InChI: InChI=1S/C19H18O3/c20-16-18-6-12-3-4-13(12)7-19(18,17(21)22-16)9-15-11-2-1-10(5-11)14(15)8-18/h1-2,10-11H,3-9H2/t10-,11+,18-,19+
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N2
InChI: InChI=1S/C26H20BrN3O4/c27-15-7-9-16(10-8-15)30-23(32)21-20(13-14-5-11-17(31)12-6-14)29-26(22(21)24(30)33)18-3-1-2-4-19(18)28-25(26)34/h1-12,20-22,29,31H,13H2,(H,28,34)/t20-,21+,22-,26-/m0/s1
SMILES: CC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C)O
InChI: InChI=1S/C22H32O4/c1-14(24)22(25)11-8-19-17-5-4-15-12-16(26-13-23)6-9-20(15,2)18(17)7-10-21(19,22)3/h4,13,16-19,25H,5-12H2,1-3H3/t16-,17+,18-,19+,20-,21-,22-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2[C@@H]([C@H](S2(=O)=O)SC3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C20H25NO2S2/c1-15(16-11-7-5-8-12-16)21-18(20(2,3)4)19(25(21,22)23)24-17-13-9-6-10-14-17/h5-15,18-19H,1-4H3/t15-,18-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=C(C(=CC=C6)Cl)Cl
InChI: InChI=1S/C27H17Cl2NO5/c1-13-9-11-14(12-10-13)30-25(33)19-20(26(30)34)27(23(31)15-5-2-3-6-16(15)24(27)32)35-22(19)17-7-4-8-18(28)21(17)29/h2-12,19-20,22H,1H3/t19-,20-,22-/m1/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CCC(=O)[C@H]2C(=O)OC)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C22H30O4/c1-21(2)17-11-10-16(23)19(20(24)25-4)22(17,3)13-12-18(21)26-14-15-8-6-5-7-9-15/h5-9,17-19H,10-14H2,1-4H3/t17-,18-,19-,22-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H22ClN3O2S/c20-16-7-3-6-14(10-16)18-21-22-19(25-18)26-12-17(24)23-9-8-13-4-1-2-5-15(13)11-23/h3,6-7,10,13,15H,1-2,4-5,8-9,11-12H2/t13-,15-/m1/s1
SMILES: CC1=C([C@@H]2[C@H](C1)C[C@@H]3[C@]2(C(=C)C(=O)C3)C)COCOC
InChI: InChI=1S/C17H24O3/c1-10-5-12-6-13-7-15(18)11(2)17(13,3)16(12)14(10)8-20-9-19-4/h12-13,16H,2,5-9H2,1,3-4H3/t12-,13+,16+,17-/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H21N3O4/c1-11(22)19-12-6-8-13(9-7-12)20-16(23)10-21-17(24)14-4-2-3-5-15(14)18(21)25/h6-9,14-15H,2-5,10H2,1H3,(H,19,22)(H,20,23)/t14-,15+
SMILES: CC(=O)OC1CC2[C@](C=CC(=O)C2(C)C)(C3[C@@]1([C@]45[C@H](O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C
InChI: InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17?,18?,20?,21?,23-,25-,26?,27+,28-/m1/s1
SMILES: C[C@H]1CCC/C(=C/CC[C@]2([C@@H](C[C@H]([C@H]([C@H]1OC(=O)C(F)(F)F)O2)C(=C)C(=O)O)OC(=O)C(F)(F)F)C)/C
InChI: InChI=1S/C24H30F6O7/c1-12-7-5-9-13(2)17(36-21(34)24(28,29)30)18-15(14(3)19(31)32)11-16(35-20(33)23(25,26)27)22(4,37-18)10-6-8-12/h8,13,15-18H,3,5-7,9-11H2,1-2,4H3,(H,31,32)/b12-8+/t13-,15-,16+,17-,18+,22-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(C=CC(=C4N2)C)C(=O)[O-]
InChI: InChI=1S/C21H21NO2/c1-12-6-9-14(10-7-12)20-16-5-3-4-15(16)18-17(21(23)24)11-8-13(2)19(18)22-20/h3-4,6-11,15-16,20,22H,5H2,1-2H3,(H,23,24)/p-1/t15-,16-,20-/m1/s1
SMILES: CC(=O)OCC(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C40H42O10/c1-28(41)44-27-34(43)50-40-38(48-26-33-21-13-6-14-22-33)36(46-24-31-17-9-4-10-18-31)35(45-23-30-15-7-3-8-16-30)37(39(40)49-29(2)42)47-25-32-19-11-5-12-20-32/h3-22,35-40H,23-27H2,1-2H3/t35-,36-,37+,38+,39+,40-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCC3O[C@@H]4[C@H](O[C@H]([C@@H]4O3)N5C=C(C(=O)NC5=O)C)CO)OC(=O)COC6=CC=CC=C6
InChI: InChI=1S/C30H34N4O12/c1-15-11-33(29(39)31-26(15)37)21-10-19(43-22(36)14-41-17-6-4-3-5-7-17)18(42-21)8-9-23-45-24-20(13-35)44-28(25(24)46-23)34-12-16(2)27(38)32-30(34)40/h3-7,11-12,18-21,23-25,28,35H,8-10,13-14H2,1-2H3,(H,31,37,39)(H,32,38,40)/t18-,19+,20-,21-,23?,24-,25-,28-/m1/s1
SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H]4CCCN4
InChI: InChI=1S/C14H24BNO2/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12/h9-12,16H,4-8H2,1-3H3/t9-,10-,11+,12+,14-/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC47C3(C7)C)C)O)C)N(C1)CCCl
InChI: InChI=1S/C30H46ClNO2/c1-18-13-25-26(32(16-18)12-11-31)19(2)30(34-25)10-8-23-22-6-5-20-14-21(33)7-9-27(20,3)24(22)15-29(23)17-28(29,30)4/h5,18-19,21-26,33H,6-17H2,1-4H3/t18-,19+,21-,22-,23-,24-,25+,26-,27-,28?,29?,30?/m0/s1
SMILES: C1C[C@@H]2CN3C(=NN=C3[C@@H]2C1)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI: InChI=1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m1/s1
SMILES: C1CC(=O)[C@@H]2[C@H](C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C23H18F3N3O2/c24-23(25,26)14-11-9-13(10-12-14)18-19-16(7-4-8-17(19)30)27-21-20(18)22(31)29(28-21)15-5-2-1-3-6-15/h1-3,5-7,9-12,18-19,27-28H,4,8H2/t18-,19-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H29N3O4/c1-2-29-19-10-6-5-9-18(19)23-11-13-24(14-12-23)20(26)15-25-21(27)16-7-3-4-8-17(16)22(25)28/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3/t16-,17+
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC(=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCC[C@@H]9C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C52H59N3O14/c1-49(2,3)66-39(58)24-22-35(29-56)53-45(59)36-20-13-25-54(36)48(62)51-27-37-40-41(68-52(67-40,33-16-8-6-9-17-33)34-18-10-7-11-19-34)43(51)69-55(42(51)46(60)64-37)28-32-15-12-14-31(26-32)21-23-38(57)65-44-47(61)63-30-50(44,4)5/h6-12,14-19,21,23,26,35-37,40-44,56H,13,20,22,24-25,27-30H2,1-5H3,(H,53,59)/t35-,36+,37+,40-,41-,42-,43+,44-,51-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@H]2CC3=C(C[C@@]2(C1)C(=O)OC)C=NN3C4=CC=C(C=C4)F
InChI: InChI=1S/C23H28FN3O4/c1-22(2,3)31-21(29)26-10-9-16-11-19-15(12-23(16,14-26)20(28)30-4)13-25-27(19)18-7-5-17(24)6-8-18/h5-8,13,16H,9-12,14H2,1-4H3/t16-,23-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OCCN5CCCC5
InChI: InChI=1S/C24H35NO2/c1-24-11-10-20-19-7-5-18(27-15-14-25-12-2-3-13-25)16-17(19)4-6-21(20)22(24)8-9-23(24)26/h5,7,16,20-23,26H,2-4,6,8-15H2,1H3/t20?,21?,22?,23-,24-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@@H](C)N)C(=O)O)O
InChI: InChI=1S/C10H14N2O4S/c1-3(11)7-6(10(15)16)12-8(14)5(4(2)13)9(12)17-7/h3-5,9,13H,11H2,1-2H3,(H,15,16)/t3-,4-,5+,9-/m1/s1
SMILES: CCC1=CC=C(C=C1)CC2=CN=C3COC4(C3=N2)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C20H24N2O6/c1-2-11-3-5-12(6-4-11)7-13-8-21-14-10-27-20(18(14)22-13)19(26)17(25)16(24)15(9-23)28-20/h3-6,8,15-17,19,23-26H,2,7,9-10H2,1H3/t15-,16-,17+,19-,20?/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=NN3C(C)C)C)/C#N
InChI: InChI=1S/C23H31N5O/c1-15(2)28-22(10-11-25-28)27-17(4)12-19(18(27)5)13-20(14-24)23(29)26-21-9-7-6-8-16(21)3/h10-13,15-16,21H,6-9H2,1-5H3,(H,26,29)/b20-13+/t16-,21-/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=C(C=CC=N7)C(=O)O
InChI: InChI=1S/C45H41N3O7S/c1-29-40(28-56-42-39(43(50)51)11-6-24-46-42)54-44(55-41(29)33-14-12-30(27-49)13-15-33)34-18-16-32(17-19-34)35-8-5-7-31(25-35)26-47-45(52)48-36-20-22-38(23-21-36)53-37-9-3-2-4-10-37/h2-25,29,40-41,44,49H,26-28H2,1H3,(H,50,51)(H2,47,48,52)/t29-,40+,41+,44+/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)Cl)C(=O)[O-]
InChI: InChI=1S/C20H18ClNO2/c1-11-14(20(23)24)8-9-17-15-6-3-7-16(15)19(22-18(11)17)12-4-2-5-13(21)10-12/h2-6,8-10,15-16,19,22H,7H2,1H3,(H,23,24)/p-1/t15-,16+,19-/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)C4=CC=CC=C4)CN5CCC[C@H]5CN6CCCC6
InChI: InChI=1S/C36H45N3O4/c1-26-33(24-39-21-7-10-32(39)23-38-19-5-6-20-38)42-36(43-34(26)29-15-13-28(25-40)14-16-29)31-17-11-27(12-18-31)22-37-35(41)30-8-3-2-4-9-30/h2-4,8-9,11-18,26,32-34,36,40H,5-7,10,19-25H2,1H3,(H,37,41)/t26-,32-,33+,34+,36+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@@H](CO)O)N3C=C(N=C3C)[N+](=O)[O-]
InChI: InChI=1S/C15H19N5O7/c1-7-4-19(15(24)17-14(7)23)12-3-9(13(27-12)10(22)6-21)18-5-11(20(25)26)16-8(18)2/h4-5,9-10,12-13,21-22H,3,6H2,1-2H3,(H,17,23,24)/t9-,10+,12+,13-/m0/s1
SMILES: CC#C[C@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)[N+](C)(C)C)C)O.[Cl-]
InChI: InChI=1S/C30H38NO2.ClH/c1-6-16-30(33)17-15-27-25-13-9-21-18-23(32)12-14-24(21)28(25)26(19-29(27,30)2)20-7-10-22(11-8-20)31(3,4)5;/h7-8,10-11,18,25-27,33H,9,12-15,17,19H2,1-5H3;1H/q+1;/p-1/t25?,26-,27?,29+,30-;/m1./s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H]2[C@H]3C[C@@](N(C2=O)CCO)(OC4=CC=CC=C34)C)C
InChI: InChI=1S/C23H26N2O4/c1-14-8-9-18(15(2)12-14)24-21(27)20-17-13-23(3,25(10-11-26)22(20)28)29-19-7-5-4-6-16(17)19/h4-9,12,17,20,26H,10-11,13H2,1-3H3,(H,24,27)/t17-,20-,23-/m0/s1
SMILES: CC(C)(CCCNS(=O)(=O)C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C32H45N3O11S2/c1-32(2,13-7-14-33-47(3,38)39)20-35(48(40,41)23-10-11-27-28(17-23)45-21-44-27)18-26(36)25(16-22-8-5-4-6-9-22)34-31(37)46-29-19-43-30-24(29)12-15-42-30/h4-6,8-11,17,24-26,29-30,33,36H,7,12-16,18-21H2,1-3H3,(H,34,37)/t24-,25-,26+,29-,30+/m0/s1
SMILES: CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)F
InChI: InChI=1S/C20H19FN2O6/c1-11(24)22-12-6-7-15(16(21)8-12)17(25)10-29-18(26)9-23-19(27)13-4-2-3-5-14(13)20(23)28/h2-3,6-8,13-14H,4-5,9-10H2,1H3,(H,22,24)/t13-,14-/m0/s1
SMILES: CN(C)C1=N[C@H]2[C@@H](O1)C[C@@H]([C@H]([C@@H]2O)O)CO
InChI: InChI=1S/C10H18N2O4/c1-12(2)10-11-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1
SMILES: C1[C@H](C(=O)[C@@H]2[C@]1([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C18H16O2/c19-14-11-18(13-9-5-2-6-10-13)15(16(18)17(14)20)12-7-3-1-4-8-12/h1-10,14-16,19H,11H2/t14-,15-,16-,18+/m1/s1
SMILES: C1CCC(C1)C(=O)N[C@H]2CCN3[C@@H]2C(=O)NC4=C(C3=O)C=C(C=C4)/C=C/C5=CC=CC=C5
InChI: InChI=1S/C26H27N3O3/c30-24(19-8-4-5-9-19)28-22-14-15-29-23(22)25(31)27-21-13-12-18(16-20(21)26(29)32)11-10-17-6-2-1-3-7-17/h1-3,6-7,10-13,16,19,22-23H,4-5,8-9,14-15H2,(H,27,31)(H,28,30)/b11-10+/t22-,23-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)SC3=CC=CC=C3)O)OC(O2)(C)C
InChI: InChI=1S/C17H22O6S/c1-10(18)20-9-12-14-15(23-17(2,3)22-14)13(19)16(21-12)24-11-7-5-4-6-8-11/h4-8,12-16,19H,9H2,1-3H3/t12-,13-,14+,15-,16+/m1/s1
SMILES: C[C@H](/C=C/1\C[C@H]2C[C@@H]1[C@H]3[C@@H]2CC=C3)[C@@H](C)O
InChI: InChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3,5-6,9-10,12-16H,4,7-8H2,1-2H3/b11-6+/t9-,10-,12+,13-,14-,15+/m1/s1
SMILES: CC1=C(C=C(C=C1Cl)S(=O)(=O)N2CCC[C@H]3[C@@H]2CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C16H21ClN2O4S/c1-11-14(17)9-13(10-16(11)19(20)21)24(22,23)18-8-4-6-12-5-2-3-7-15(12)18/h9-10,12,15H,2-8H2,1H3/t12-,15-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O5/c21-15(18-11-5-7-12(8-6-11)20(24)25)9-10-19-16(22)13-3-1-2-4-14(13)17(19)23/h1-2,5-8,13-14H,3-4,9-10H2,(H,18,21)/t13-,14-/m1/s1
SMILES: C[C@]1\2CCC[C@@H]([C@@H]1CC/C2=C/C3=CC(=CC=C3)C(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H35F3O2Si/c1-23(2,3)31(5,6)30-21-11-8-14-24(4)19(12-13-20(21)24)16-17-9-7-10-18(15-17)22(29)25(26,27)28/h7,9-10,15-16,20-21H,8,11-14H2,1-6H3/b19-16-/t20-,21-,24+/m0/s1
SMILES: CC1=C2CC(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CS5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
InChI: InChI=1S/C41H51NO13S/c1-21-24-17-27(44)39(8)28(45)18-29-40(20-51-29,54-22(2)43)32(39)33(53-34(47)23-13-10-9-11-14-23)41(50,38(24,6)7)19-25(21)52-35(48)31(46)30(26-15-12-16-56-26)42-36(49)55-37(3,4)5/h9-16,25,28-33,45-46,50H,17-20H2,1-8H3,(H,42,49)/t25-,28-,29+,30-,31+,32-,33-,39+,40-,41+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC=CC=C3F)C(=O)C4CC4)C(=O)NCCO
InChI: InChI=1S/C28H32FIN2O7/c1-38-24-11-16(15-34)10-21(30)26(24)39-23-13-19(27(36)31-8-9-33)12-22(25(23)35)32(28(37)17-6-7-17)14-18-4-2-3-5-20(18)29/h2-5,10-11,13,17,22-23,25,33-35H,6-9,12,14-15H2,1H3,(H,31,36)/t22-,23+,25+/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)N4C(=O)[C@@H]5[C@H](C4=O)C6(C7=CC=CC=C7C5C8=CC=CC=C86)Br
InChI: InChI=1S/C39H26BrNO5/c40-39-30-12-6-4-10-28(30)33(29-11-5-7-13-31(29)39)34-35(39)37(44)41(36(34)43)27-20-18-26(19-21-27)38(45)46-22-32(42)25-16-14-24(15-17-25)23-8-2-1-3-9-23/h1-21,33-35H,22H2/t33?,34-,35+,39?/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)C)O
InChI: InChI=1S/C18H25NO4/c1-11-7-8-16(20)14(9-11)18(22)23-10-17(21)19-15-6-4-5-12(2)13(15)3/h7-9,12-13,15,20H,4-6,10H2,1-3H3,(H,19,21)/t12-,13-,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26N2O13/c1-11(25)32-10-17-19(34-12(2)26)20(35-13(3)27)18(21(37-17)36-14(4)28)23-22(29)33-9-15-5-7-16(8-6-15)24(30)31/h5-8,17-21H,9-10H2,1-4H3,(H,23,29)/t17-,18-,19-,20-,21?/m1/s1
SMILES: C[C@@]1([C@@H](N2C(S1(=O)=O)CC2=O)C(=O)O)C(=O)NC3=NC=CS3
InChI: InChI=1S/C11H11N3O6S2/c1-11(9(18)13-10-12-2-3-21-10)7(8(16)17)14-5(15)4-6(14)22(11,19)20/h2-3,6-7H,4H2,1H3,(H,16,17)(H,12,13,18)/t6?,7-,11+/m0/s1
SMILES: CC1=CSC(=N1)C(=O)CCCC(C)[C@H]2CCC\3[C@@]2(CCC/C3=C/C=C/4\C[C@H](C[C@H](C4=C)O)O)C
InChI: InChI=1S/C29H41NO3S/c1-18(7-5-9-26(32)28-30-19(2)17-34-28)24-12-13-25-21(8-6-14-29(24,25)4)10-11-22-15-23(31)16-27(33)20(22)3/h10-11,17-18,23-25,27,31,33H,3,5-9,12-16H2,1-2,4H3/b21-10-,22-11+/t18?,23-,24-,25?,27-,29-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C42H34N2O6S/c1-26-35(25-51-42-43-36(28-11-4-2-5-12-28)38(50-42)29-13-6-3-7-14-29)48-41(49-37(26)30-21-19-27(24-45)20-22-30)31-15-10-16-32(23-31)44-39(46)33-17-8-9-18-34(33)40(44)47/h2-23,26,35,37,41,45H,24-25H2,1H3/t26-,35+,37+,41+/m1/s1
SMILES: CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)CC)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)NC)C
InChI: InChI=1S/C34H59NO7/c1-7-10-23(35-6)18-25-12-15-29(38-25)21(4)32-20-27-14-17-31(40-27)28(9-3)34(37)41-24(11-8-2)19-26-13-16-30(39-26)22(5)33(36)42-32/h21-32,35H,7-20H2,1-6H3/t21-,22+,23-,24+,25+,26+,27+,28-,29-,30-,31-,32-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)OC(=O)C2=CC=C(N2)C)O
InChI: InChI=1S/C12H17NO6/c1-5-3-4-7(13-5)11(16)19-10-8(14)6(2)18-12(17)9(10)15/h3-4,6,8-10,12-15,17H,1-2H3/t6-,8-,9+,10+,12?/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)CCC(=O)O)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O
InChI: InChI=1S/C36H42N4O7/c1-23-31(21-39-18-16-28(17-19-39)40-30-5-3-2-4-29(30)38-36(40)45)46-35(47-34(23)26-10-8-25(22-41)9-11-26)27-12-6-24(7-13-27)20-37-32(42)14-15-33(43)44/h2-13,23,28,31,34-35,41H,14-22H2,1H3,(H,37,42)(H,38,45)(H,43,44)/t23-,31+,34+,35+/m0/s1
SMILES: COC1=CC=CC2=C1[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)CC5CC5)OC
InChI: InChI=1S/C22H31NO2/c1-24-18-7-5-6-17-14-19-22(25-2)11-4-3-10-21(22,20(17)18)12-13-23(19)15-16-8-9-16/h5-7,16,19H,3-4,8-15H2,1-2H3/t19-,21+,22-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C(=O)N[C@H](C)C4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(O6)C7=C(C=CC(=C7)C(F)(F)F)Cl)C
InChI: InChI=1S/C49H52ClF3N2O5S/c1-31-9-7-23-47(3)41(21-24-48(47,59)30-55(25-22-37-12-8-26-61-37)46(58)54-32(2)34-10-5-4-6-11-34)38-17-14-33(27-36(56)16-13-31)28-39(38)45(57)44-20-19-43(60-44)40-29-35(49(51,52)53)15-18-42(40)50/h4-6,8-12,14-15,17-20,26,28-29,32,36,41,56,59H,7,13,16,21-25,27,30H2,1-3H3,(H,54,58)/t32-,36+,41+,47+,48-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N5N2CCC5
InChI: InChI=1S/C21H20FN3O3/c1-28-16-6-3-2-5-15(16)18-17-19(24-12-4-11-23(18)24)21(27)25(20(17)26)14-9-7-13(22)8-10-14/h2-3,5-10,17-19H,4,11-12H2,1H3/t17-,18-,19-/m0/s1
SMILES: C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)F)O
InChI: InChI=1S/C11H13FN4O3/c12-7-6(3-17)19-11(8(7)18)16-2-1-5-9(13)14-4-15-10(5)16/h1-2,4,6-8,11,17-18H,3H2,(H2,13,14,15)/t6-,7-,8-,11-/m1/s1
SMILES: C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\C3=CC(=C(C=C3[N+](=O)[O-])OC)OC
InChI: InChI=1S/C18H23N3O5/c1-18-7-5-4-6-12(18)16(18)17(22)20-19-10-11-8-14(25-2)15(26-3)9-13(11)21(23)24/h8-10,12,16H,4-7H2,1-3H3,(H,20,22)/b19-10-/t12-,16+,18+/m0/s1
SMILES: CCC1=CC(=CC(=C1)NC(=O)NC[C@@H]2CN(CC[C@@H]2C)CCC3=CC=C(C=C3)F)C4=NN=NN4C
InChI: InChI=1S/C26H34FN7O/c1-4-19-13-21(25-30-31-32-33(25)3)15-24(14-19)29-26(35)28-16-22-17-34(11-9-18(22)2)12-10-20-5-7-23(27)8-6-20/h5-8,13-15,18,22H,4,9-12,16-17H2,1-3H3,(H2,28,29,35)/t18-,22+/m0/s1
SMILES: CCCC[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2OC)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H32NO2P/c1-3-4-13-21-20-25(21)27(24-18-11-12-19-26(24)30-2)28-31(29,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-12,14-19,21,25,27H,3-4,13,20H2,1-2H3,(H,28,29)/t21-,25-,27+/m1/s1
SMILES: C/C(=N\O)/[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H37NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21,26H,5-13H2,1-4H3/b24-14+/t16-,17-,18+,19-,20+,21+,22-,23+/m0/s1