EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@H](C(C2)(C)C)C(=C)C3=CC=CC=C3
InChI: InChI=1S/C24H37NO/c1-17-12-13-20(22(26)14-17)24(5,6)25-15-21(23(3,4)16-25)18(2)19-10-8-7-9-11-19/h7-11,17,20-22,26H,2,12-16H2,1,3-6H3/t17-,20-,21-,22-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=CC=C3C(=O)OC4=CC5=CC=CC=C5C=C4)C(=O)O
InChI: InChI=1S/C24H19NO4/c26-23(27)22-19-9-3-7-17(19)18-8-4-10-20(21(18)25-22)24(28)29-16-12-11-14-5-1-2-6-15(14)13-16/h1-8,10-13,17,19,22,25H,9H2,(H,26,27)/t17-,19+,22-/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C1)OC)N(C)C(=O)OC(C)(C)C
InChI: InChI=1S/C16H30N2O5/c1-15(2,3)22-13(19)17(7)11-9-18(10-12(11)21-8)14(20)23-16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2C[C@@H]3C[C@@H]([C@H](C2)O3)O
InChI: InChI=1S/C15H20O4/c1-17-11-4-2-10(3-5-11)9-18-12-6-13-7-14(16)15(8-12)19-13/h2-5,12-16H,6-9H2,1H3/t12-,13-,14+,15+/m1/s1
SMILES: C[Sn](C)(C)C[C@H]1[C@@H](COC1O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H19O2.3CH3.Sn/c1-13-16(12-20-18(13)19)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;;;;/h2-11,13,16-19H,1,12H2;3*1H3;/t13-,16+,18?;;;;/m0..../s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O4S/c19-26(24,25)11-8-9-16-15(10-11)12-5-3-6-13(12)18(20-16)14-4-1-2-7-17(14)21(22)23/h1-5,7-10,12-13,18,20H,6H2,(H2,19,24,25)/t12-,13-,18-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1C(=O)C2CCCCC2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H31NO9/c1-11(23)22-17-20(18(27)15-8-6-5-7-9-15)31-16(10-28-12(2)24)19(29-13(3)25)21(17)30-14(4)26/h15-17,19-21H,5-10H2,1-4H3,(H,22,23)/t16-,17+,19-,20-,21-/m1/s1
SMILES: CC1(C2C[C@@H]([C@H](C1C2)NC(=O)C3=CC=CC4=C3SC=C4OC)C/C=C\CCCC(=O)O)C
InChI: InChI=1S/C26H33NO4S/c1-26(2)17-13-16(9-6-4-5-7-12-22(28)29)23(20(26)14-17)27-25(30)19-11-8-10-18-21(31-3)15-32-24(18)19/h4,6,8,10-11,15-17,20,23H,5,7,9,12-14H2,1-3H3,(H,27,30)(H,28,29)/b6-4-/t16-,17?,20?,23+/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C(C(F)(F)F)(F)F)OC)C5=CC=C(C=C5)/C=N/O
InChI: InChI=1S/C28H30F5NO3/c1-25-14-22(17-5-3-16(4-6-17)15-34-36)24-20-10-8-19(35)13-18(20)7-9-21(24)23(25)11-12-26(25,37-2)27(29,30)28(31,32)33/h3-6,13,15,21-23,36H,7-12,14H2,1-2H3/b34-15+/t21?,22-,23?,25+,26+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36+,37+,38+/m0/s1
SMILES: C1=C[C@@H]2[C@@H](C=C1)NC=C2C[C@H](C(=O)N/N=C\C3=CC=CC4=C3N=CC=C4)N
InChI: InChI=1S/C21H21N5O/c22-18(11-16-12-24-19-9-2-1-8-17(16)19)21(27)26-25-13-15-6-3-5-14-7-4-10-23-20(14)15/h1-10,12-13,17-19,24H,11,22H2,(H,26,27)/b25-13-/t17-,18+,19+/m0/s1
SMILES: C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C/C=C\[C@@H]([C@H](O5)CCO)O)O[C@H]3[C@@H]2OCC6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C34H40O8/c35-16-15-25-24(36)8-5-10-26-27(39-25)13-14-28-30(40-26)19-31-33(42-28)34(32-29(41-31)9-3-4-17-37-32)38-20-21-11-12-22-6-1-2-7-23(22)18-21/h1-8,11-14,18,24-36H,9-10,15-17,19-20H2/b8-5-/t24-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+/m0/s1
SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O[C@@H]4C[C@@]([C@H]([C@@H](C56CC[C@H]([C@@]4(C5C(=O)CC6)C)C)C)O)(C)C=C
InChI: InChI=1S/C34H47N5O5/c1-7-32(5)17-25(33(6)20(3)9-11-34(21(4)28(32)42)12-10-24(40)27(33)34)44-30(43)23-19-38(8-2)29-22(26(23)41)18-36-31(37-29)39-15-13-35-14-16-39/h7,18-21,25,27-28,35,42H,1,8-17H2,2-6H3/t20-,21+,25-,27?,28+,32-,33+,34?/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=S)NC4CCCCC4
InChI: InChI=1S/C20H29N3S/c1-14-8-9-18-16(12-14)17-13-22(2)11-10-19(17)23(18)20(24)21-15-6-4-3-5-7-15/h8-9,12,15,17,19H,3-7,10-11,13H2,1-2H3,(H,21,24)/t17-,19-/m1/s1
SMILES: CCOC(=O)[C@H]1CCN(C[C@H]1C)[C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CC4=C(C=CC(=C4)C(F)(F)F)OC3
InChI: InChI=1S/C27H37F3N2O4/c1-5-35-24(33)22-9-11-31(14-18(22)4)21-8-10-26(13-21,17(2)3)25(34)32-15-19-12-20(27(28,29)30)6-7-23(19)36-16-32/h6-7,12,17-18,21-22H,5,8-11,13-16H2,1-4H3/t18-,21-,22+,26+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3
InChI: InChI=1S/C20H26ClN3O3S/c1-12-4-3-5-16(13(12)2)22-20(28)24-23-18(25)7-6-14-10-15(21)19-17(11-14)26-8-9-27-19/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,23,25)(H2,22,24,28)/b7-6+/t12-,13-,16-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](SC2=CC=CC=C2NC1=O)C3=CC=CC=C3Cl)NC(=O)C(CC(C)C)O
InChI: InChI=1S/C24H28ClN3O4S/c1-13(2)12-18(29)23(31)26-14(3)22(30)28-20-21(15-8-4-5-9-16(15)25)33-19-11-7-6-10-17(19)27-24(20)32/h4-11,13-14,18,20-21,29H,12H2,1-3H3,(H,26,31)(H,27,32)(H,28,30)/t14-,18?,20-,21+/m0/s1
SMILES: CCCN(C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)F)OC.Cl
InChI: InChI=1S/C20H24FNO.ClH/c1-4-10-22(2)18-11-15-12-19(23-3)17(21)13-16(15)20(18)14-8-6-5-7-9-14;/h5-9,12-13,18,20H,4,10-11H2,1-3H3;1H/t18-,20-;/m1./s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)C)N
InChI: InChI=1S/C20H25N7O2/c1-12-6-8-14(9-7-12)22-18-24-15(23-17(21)25-18)11-27-16(28)20(26-19(27)29)10-4-3-5-13(20)2/h6-9,13H,3-5,10-11H2,1-2H3,(H,26,29)(H3,21,22,23,24,25)/t13-,20-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)[18F]
InChI: InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1/i10-1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC(=O)N)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H17ClN2O6S/c15-8-1-3-9(4-2-8)24(19,20)17-10-5-22-14-11(6-23-13(10)14)21-7-12(16)18/h1-4,10-11,13-14,17H,5-7H2,(H2,16,18)/t10-,11+,13+,14+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=CC7=C6N=CC=C7
InChI: InChI=1S/C49H59N5O11S/c1-4-25-53(66(60,61)43-17-11-14-34-15-12-24-51-47(34)43)44-31-41(52-63-32-33-18-20-36(21-19-33)54(58)59)39-29-35(13-7-9-26-55)38(16-8-10-27-56)45-40-30-37(64-48(57)50-6-3)22-23-42(40)65-49(44,46(39)45)62-28-5-2/h5,11-12,14-15,17-24,29-30,35,38,44-46,55-56H,2,4,6-10,13,16,25-28,31-32H2,1,3H3,(H,50,57)/t35-,38+,44-,45+,46+,49+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CN(N=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H25N5OS/c1-13-7-6-10-17(14(13)2)21-19(26)23-22-18(25)15-11-20-24(12-15)16-8-4-3-5-9-16/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,22,25)(H2,21,23,26)/t13-,14-,17-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O.[Na].[Na]
InChI: InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/t11-,13-,16-;;/m1../s1
SMILES: CC(C)(C)C(=O)O[C@H]1C[C@H](O[C@@H]([C@H]1OC(=O)C(C)(C)C)Br)COC(=O)C2=CC=CC=C2
InChI: InChI=1S/C23H31BrO7/c1-22(2,3)20(26)30-16-12-15(13-28-19(25)14-10-8-7-9-11-14)29-18(24)17(16)31-21(27)23(4,5)6/h7-11,15-18H,12-13H2,1-6H3/t15-,16-,17-,18-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]([C@H]3O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)O
InChI: InChI=1S/C36H38O8Si/c1-36(2,3)45(26-20-12-6-13-21-26,27-22-14-7-15-23-27)44-31-28(37)29(38)32(42-34(40)24-16-8-4-9-17-24)33(30(31)39)43-35(41)25-18-10-5-11-19-25/h4-23,28-33,37-39H,1-3H3/t28-,29+,30+,31-,32-,33-/m1/s1
SMILES: CCOC(=O)N[C@H]1[C@H](CC=C[C@@H]1[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C15H29NO3Si/c1-7-19-14(18)16-13-11(17)9-8-10-12(13)20(5,6)15(2,3)4/h8,10-13,17H,7,9H2,1-6H3,(H,16,18)/t11-,12-,13-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)CO)OC(=O)[C@H](CC=CC[C@@H](C(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C36H38O9/c1-41-36-32(45-33(38)26-17-9-4-10-18-26)31-30(29(23-37)42-36)43-34(39)27(21-24-13-5-2-6-14-24)19-11-12-20-28(35(40)44-31)22-25-15-7-3-8-16-25/h2-18,27-32,36-37H,19-23H2,1H3/t27-,28-,29-,30+,31+,32-,36+/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5)OC)O)OC)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C37H33Cl2F3N4O7/c1-4-11-45-32(48)22-10-9-21-23(28(22)34(45)50)15-24-33(49)46(44-31-25(39)14-19(16-43-31)37(40,41)42)35(51)36(24,18-5-7-20(38)8-6-18)29(21)17-12-26(52-2)30(47)27(13-17)53-3/h5-9,12-14,16,22-24,28-29,47H,4,10-11,15H2,1-3H3,(H,43,44)/t22-,23+,24-,28-,29-,36+/m0/s1
SMILES: C[C@@H]([C@H](CNCC1=CC(=CC=C1)C(=O)N)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
InChI: InChI=1S/C23H33N7O12P2/c1-12(31)15(7-26-6-13-3-2-4-14(5-13)21(25)34)8-39-43(35,36)42-44(37,38)40-9-16-18(32)19(33)23(41-16)30-11-29-17-20(24)27-10-28-22(17)30/h2-5,10-12,15-16,18-19,23,26,31-33H,6-9H2,1H3,(H2,25,34)(H,35,36)(H,37,38)(H2,24,27,28)/t12-,15+,16+,18+,19+,23+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2)CC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C30H30N2O3/c33-28-26(18-21-9-3-1-4-10-21)31-30(35)32(27(29(28)34)19-22-11-5-2-6-12-22)20-23-15-16-24-13-7-8-14-25(24)17-23/h1-17,26-29,33-34H,18-20H2,(H,31,35)/t26-,27-,28+,29+/m1/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H23NO6/c1-3-27-15-10-8-14(9-11-15)18(23)12-28-21(26)13(2)22-19(24)16-6-4-5-7-17(16)20(22)25/h4-5,8-11,13,16-17H,3,6-7,12H2,1-2H3/t13-,16+,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C(O2)CP(=O)(N[C@H](C)C(=O)OC)O[C@@H]3[C@H](O[C@H]([C@H]3O)N4C=C(C(=O)NC4=O)C)CO)F
InChI: InChI=1S/C24H33FN5O12P/c1-10-6-29(23(36)26-19(10)33)16-5-13(25)15(40-16)9-43(38,28-12(3)22(35)39-4)42-18-14(8-31)41-21(17(18)32)30-7-11(2)20(34)27-24(30)37/h6-7,12-18,21,31-32H,5,8-9H2,1-4H3,(H,28,38)(H,26,33,36)(H,27,34,37)/t12-,13+,14-,15?,16-,17+,18-,21-,43?/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)OCC3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C20H21NO10S/c1-11(22)30-9-14-10-32(26,27)18-16(28-2)17(23)21(18)15(14)20(25)31-8-12-4-6-13(7-5-12)19(24)29-3/h4-7,16,18H,8-10H2,1-3H3/t16-,18+/m0/s1
SMILES: C[N@@+]1(CC[C@]23[C@@H]4C(C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)CCl)(OC)OC)[O-]
InChI: InChI=1S/C20H26ClNO5/c1-22(23)8-7-19-15-12-5-6-13(24-2)16(15)27-17(19)20(25-3,26-4)10-18(19,11-21)14(22)9-12/h5-6,14,17H,7-11H2,1-4H3/t14-,17-,18-,19+,22+/m1/s1
SMILES: C[C@H]([C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)OC)C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3)CS1(=O)=O
InChI: InChI=1S/C21H39NO5SSi/c1-14(18(26-6)15(2)27-29(7,8)20(3,4)5)19(23)22-17-11-16-9-10-21(17,12-16)13-28(22,24)25/h14-18H,9-13H2,1-8H3/t14-,15+,16-,17-,18-,21-/m1/s1
SMILES: C1C[C@@H]2[C@](C1)(OC(=C(C2(C#N)C#N)C#N)N)N3CCOCC3
InChI: InChI=1S/C15H17N5O2/c16-8-11-13(19)22-15(20-4-6-21-7-5-20)3-1-2-12(15)14(11,9-17)10-18/h12H,1-7,19H2/t12-,15-/m0/s1
SMILES: C\1C/C=C\CC[C@H]2[C@@H](C2C(=O)NC3=C(C=CC=C3Cl)Cl)CC/C=C1
InChI: InChI=1S/C20H23Cl2NO/c21-16-12-9-13-17(22)19(16)23-20(24)18-14-10-7-5-3-1-2-4-6-8-11-15(14)18/h3-6,9,12-15,18H,1-2,7-8,10-11H2,(H,23,24)/b5-3-,6-4+/t14-,15-,18?/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2O)C(C)C)CCOCCOCCO
InChI: InChI=1S/C23H35NO7/c1-4-30-23-17(9-11-28-13-14-29-12-10-25)18(16(2)3)15-21(31-23)22(27)24-19-7-5-6-8-20(19)26/h5-8,15-18,23,25-26H,4,9-14H2,1-3H3,(H,24,27)/t17-,18+,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)[C@@H]2[C@H](O2)[C@@H](C)[C@@H]3C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O3)CC(C)C)(C)C)CC4=CC(=C(C=C4)OC)Cl)C
InChI: InChI=1S/C38H49ClN2O8/c1-21(2)16-31-36(44)47-29(24(5)33-34(49-33)26-14-12-22(3)23(4)17-26)10-9-11-32(42)41-28(19-25-13-15-30(46-8)27(39)18-25)35(43)40-20-38(6,7)37(45)48-31/h9,11-15,17-18,21,24,28-29,31,33-34H,10,16,19-20H2,1-8H3,(H,40,43)(H,41,42)/b11-9+/t24-,28+,29-,31-,33+,34+/m0/s1
SMILES: C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O
InChI: InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,23-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+,22-18+/t23-,24+,25+,27+/m0/s1
SMILES: C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)C(=O)C[C@H]([C@@H](C)COCC2=CC=CC=C2)O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C27H36O6/c1-18(15-31-17-21-8-6-5-7-9-21)24(28)14-25(29)20(3)26-19(2)16-32-27(33-26)22-10-12-23(30-4)13-11-22/h5-13,18-20,24,26-28H,14-17H2,1-4H3/t18-,19-,20-,24+,26-,27-/m0/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OC=C5CNCC(=O)OC(C)(C)C
InChI: InChI=1S/C36H49N3O10S/c1-23(2)19-39(50(43,44)26-11-12-31-28(16-26)25(21-46-31)17-37-18-33(41)49-36(3,4)5)20-30(40)29(15-24-9-7-6-8-10-24)38-35(42)48-32-22-47-34-27(32)13-14-45-34/h6-12,16,21,23,27,29-30,32,34,37,40H,13-15,17-20,22H2,1-5H3,(H,38,42)/t27-,29-,30+,32?,34+/m0/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC=C(C=C2)C(=O)[O-])O)O)O
InChI: InChI=1S/C13H17NO6/c1-6-9(15)10(16)11(17)12(20-6)14-8-4-2-7(3-5-8)13(18)19/h2-6,9-12,14-17H,1H3,(H,18,19)/p-1/t6-,9+,10-,11-,12+/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4=CC=C(C=C4)C(=O)O)OCC
InChI: InChI=1S/C25H26N2O5/c1-3-31-21-14-11-17(15-22(21)32-4-2)23-19-7-5-6-8-20(19)24(28)27(26-23)18-12-9-16(10-13-18)25(29)30/h5-6,9-15,19-20H,3-4,7-8H2,1-2H3,(H,29,30)/t19-,20+/m0/s1
SMILES: CC1=C([C@@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCCC5
InChI: InChI=1S/C27H33NO5/c1-16-23(26(30)33-18-8-6-4-5-7-9-18)24(17-10-11-21-22(12-17)32-15-31-21)25-19(28-16)13-27(2,3)14-20(25)29/h10-12,18,24-25H,4-9,13-15H2,1-3H3/t24-,25-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@]45[C@H]([C@@H]([C@H](O4)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OC8=NC(=O)C=CN58
InChI: InChI=1S/C44H40N2O7/c1-48-37-24-22-36(23-25-37)44(34-18-10-4-11-19-34,35-20-12-5-13-21-35)51-31-43-41(52-42-45-39(47)26-27-46(42)43)40(50-29-33-16-8-3-9-17-33)38(53-43)30-49-28-32-14-6-2-7-15-32/h2-27,38,40-41H,28-31H2,1H3/t38-,40-,41+,43-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O
InChI: InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36+/m0/s1
SMILES: C[C@@]12CCC[C@H]1[C@H]3[C@H](CC2)[C@]4(CC[C@@H](C[C@@H]4C[C@@H]3CCCCN=C(N)N)CCC(=O)O)C
InChI: InChI=1S/C27H47N3O2/c1-26-12-5-7-21(26)24-19(6-3-4-15-30-25(28)29)17-20-16-18(8-9-23(31)32)10-14-27(20,2)22(24)11-13-26/h18-22,24H,3-17H2,1-2H3,(H,31,32)(H4,28,29,30)/t18-,19-,20+,21-,22-,24-,26-,27-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NC(=O)NC5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C23H26ClN3O3S/c1-11-15-8-9-23(3)10-16-18(12(2)17(23)19(15)30-20(11)28)26-22(31-16)27-21(29)25-14-6-4-13(24)5-7-14/h4-7,11-12,15,17,19H,8-10H2,1-3H3,(H2,25,26,27,29)/t11-,12-,15-,17+,19-,23+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=C[C@@H]3[C@@H]4[C@H]([C@H](N3C=C2)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6Cl
InChI: InChI=1S/C30H20Cl2N2O4/c31-20-12-10-18(11-13-20)28(36)26-25-24(29(37)34(30(25)38)22-9-5-4-8-21(22)32)23-16-19(14-15-33(23)26)27(35)17-6-2-1-3-7-17/h1-16,23-26H/t23-,24-,25-,26+/m1/s1
SMILES: C[C@@H]1[C@H](O[C@H](O[C@H]1/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)OC)CC=C
InChI: InChI=1S/C23H26O3/c1-4-8-21-17(2)22(16-11-18-9-6-5-7-10-18)26-23(25-21)19-12-14-20(24-3)15-13-19/h4-7,9-17,21-23H,1,8H2,2-3H3/b16-11+/t17-,21-,22+,23-/m1/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)O)Cl)CBr)Cl)CC7=CC=CC=C7
InChI: InChI=1S/C33H32BrCl2N3O5/c34-18-38-30(43)32(35)16-25-23(27(33(32,36)31(38)44)20-6-8-22(40)9-7-20)10-11-24-26(25)29(42)39(28(24)41)21-12-14-37(15-13-21)17-19-4-2-1-3-5-19/h1-10,21,24-27,40H,11-18H2/t24-,25+,26-,27-,32+,33-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4F)C(=O)CCCCC=C)C(=O)NCCO)C=O
InChI: InChI=1S/C31H35FN2O7/c1-3-4-5-6-11-26(37)34(17-20-9-7-8-10-23(20)32)24-16-22(31(39)33-12-13-35)27-21-14-19(18-36)15-25(40-2)29(21)41-30(27)28(24)38/h3,7-10,14-16,18,24,27-28,30,35,38H,1,4-6,11-13,17H2,2H3,(H,33,39)/t24-,27+,28+,30+/m1/s1
SMILES: C1=CC2[C@@H]3[C@@H](C1[C@@H]4[C@@H]2C(=O)N(C4=O)C5=NC=CS5)C(=O)N(C3=O)C6=NC=CS6
InChI: InChI=1S/C18H12N4O4S2/c23-13-9-7-1-2-8(11(9)15(25)21(13)17-19-3-5-27-17)12-10(7)14(24)22(16(12)26)18-20-4-6-28-18/h1-12H/t7?,8?,9-,10-,11-,12-/m1/s1
SMILES: CN(C)[C@@H]1[C@H]2C[C@H]3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@]2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC=C(C=C5)NC(=O)C6=CC=NO6
InChI: InChI=1S/C31H28N4O9/c1-35(2)24-18-12-14-11-17-16(13-3-5-15(6-4-13)34-30(42)20-9-10-33-44-20)7-8-19(36)22(17)25(37)21(14)27(39)31(18,43)28(40)23(26(24)38)29(32)41/h3-10,14,18,21,23-24,36,43H,11-12H2,1-2H3,(H2,32,41)(H,34,42)/t14-,18-,21?,23?,24-,31-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Br
InChI: InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15-,18+/m0/s1
SMILES: CC(C)(C)O[C@H]1CN2[C@@H]([C@@H]1OC(C)(C)C)[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O2)CO)O)O
InChI: InChI=1S/C18H33NO7/c1-17(2,3)24-9-7-19-12(15(9)25-18(4,5)6)11-14(22)13(21)10(8-20)23-16(11)26-19/h9-16,20-22H,7-8H2,1-6H3/t9-,10+,11+,12+,13+,14+,15+,16+/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C
InChI: InChI=1S/C21H24N2O5/c1-12-8-13(2)10-15(9-12)22-18(24)11-28-21(27)14(3)23-19(25)16-6-4-5-7-17(16)20(23)26/h4-5,8-10,14,16-17H,6-7,11H2,1-3H3,(H,22,24)/t14-,16+,17+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC2=NC(=C([C@H](C2C1=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C)C5=CC(=CC=C5)OC
InChI: InChI=1S/C30H31NO8/c1-5-36-29(33)24-16(3)31-21-14-20(17-8-7-9-19(12-17)35-4)26(30(34)37-6-2)28(32)27(21)25(24)18-10-11-22-23(13-18)39-15-38-22/h7-13,20,25-27H,5-6,14-15H2,1-4H3/t20-,25+,26+,27?/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O5/c1-30-17-9-10-19(31-2)18(12-17)25-22(27)13-5-7-16(8-6-13)26-23(28)20-14-3-4-15(11-14)21(20)24(26)29/h5-10,12,14-15,20-21H,3-4,11H2,1-2H3,(H,25,27)/t14-,15+,20-,21-/m0/s1
SMILES: C[C@@H]1CC[C@]([C@@H]([C@@]1(C)C=C)CCC(=O)OC)(/C=C/C=C\SC2=CC=CC=C2)C#N
InChI: InChI=1S/C25H31NO2S/c1-5-24(3)20(2)15-17-25(19-26,22(24)13-14-23(27)28-4)16-9-10-18-29-21-11-7-6-8-12-21/h5-12,16,18,20,22H,1,13-15,17H2,2-4H3/b16-9+,18-10-/t20-,22-,24+,25-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C24H16BrNO2/c25-13-9-11-14(12-10-13)26-23(27)21-19-15-5-1-2-6-16(15)20(22(21)24(26)28)18-8-4-3-7-17(18)19/h1-12,19-22H/t19?,20?,21-,22-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H]([C@@H]2C(=C)O[Si](C)(C)C)C(=O)OC
InChI: InChI=1S/C18H31NO5Si/c1-11(24-25(6,7)8)14-12-9-10-13(15(14)16(20)22-5)19(12)17(21)23-18(2,3)4/h12-15H,1,9-10H2,2-8H3/t12-,13+,14+,15+/m0/s1
SMILES: CCOC(=O)C1=NN[C@]2([C@@H]1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H19N3O4/c1-3-28-19(26)17-16-18(25)24(15-7-5-4-6-8-15)20(27)21(16,23-22-17)14-11-9-13(2)10-12-14/h4-12,16,23H,3H2,1-2H3/t16-,21-/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O
InChI: InChI=1S/C43H40N4O11/c1-55-23-24-57-42(54)46-31-19-18-26(11-10-20-45-41(44)53)25-30(31)43(40(46)52)33(38(49)50)35-39(51)58-36(28-14-6-3-7-15-28)34(27-12-4-2-5-13-27)47(35)37(43)29-16-8-9-17-32(29)56-22-21-48/h2-9,12-19,25,33-37,48H,20-24H2,1H3,(H,49,50)(H3,44,45,53)/t33-,34-,35-,36+,37+,43-/m1/s1
SMILES: C1=CC(=CC=C1N2C(=O)O[C@]3([C@@]2(C(=C(C(=C3F)F)F)F)F)CCl)Cl
InChI: InChI=1S/C14H6Cl2F5NO2/c15-5-13-10(19)8(17)9(18)11(20)14(13,21)22(12(23)24-13)7-3-1-6(16)2-4-7/h1-4H,5H2/t13-,14+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)N(C2=O)C(=O)C3=CC=CC=C3)I)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H23IN2O8/c31-22-17-32(30(38)33(27(22)35)26(34)19-10-4-1-5-11-19)25-16-23(41-29(37)21-14-8-3-9-15-21)24(40-25)18-39-28(36)20-12-6-2-7-13-20/h1-15,17,23-25H,16,18H2/t23-,24+,25+/m0/s1
SMILES: CC1=CC(=CC(=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C)C
InChI: InChI=1S/C15H18N2O3S2/c1-9-4-10(2)6-12(5-9)17-13-7-22(19,20)8-14(13)21-15(17)16-11(3)18/h4-6,13-14H,7-8H2,1-3H3/t13-,14+/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)COP(=O)(O)O
InChI: InChI=1S/C9H18NO9P/c1-4(12)10-7-6(3-18-20(15,16)17)19-5(2-11)8(13)9(7)14/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)(H2,15,16,17)/t5-,6-,7+,8-,9-/m1/s1
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)OCCOC)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C33H49Cl3N6O18/c1-14(38-32(53)57-13-33(34,35)36)27(49)40-20(28(50)41-21(11-43)29(51)37-15(2)31(52)55-9-8-54-7)10-23(48)42-30-24(39-16(3)44)26(59-19(6)47)25(58-18(5)46)22(60-30)12-56-17(4)45/h14-15,20-22,24-26,30,43H,8-13H2,1-7H3,(H,37,51)(H,38,53)(H,39,44)(H,40,49)(H,41,50)(H,42,48)/t14-,15-,20-,21-,22+,24+,25+,26+,30+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NBr)O
InChI: InChI=1S/C27H28BrNO11/c1-10-22(32)13(29-28)6-17(39-10)40-15-8-27(37,16(31)9-30)7-12-19(15)26(36)21-20(24(12)34)23(33)11-4-3-5-14(38-2)18(11)25(21)35/h3-5,10,13,15,17,22,29-30,32,34,36-37H,6-9H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
SMILES: C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C)OC(=O)C
InChI: InChI=1S/C24H32O4/c1-14(28-15(2)25)22(27)24(4)12-10-21-20-7-5-16-13-17(26)6-8-18(16)19(20)9-11-23(21,24)3/h13-14,20-21H,5-12H2,1-4H3/t14-,20+,21-,23-,24+/m0/s1
SMILES: C1C[C@H]([C@@H](C1)C(C2=CC=CC=C2)Br)C#CC3=CC=CC=C3
InChI: InChI=1S/C20H19Br/c21-20(18-10-5-2-6-11-18)19-13-7-12-17(19)15-14-16-8-3-1-4-9-16/h1-6,8-11,17,19-20H,7,12-13H2/t17-,19+,20?/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@](C(=O)N2CC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C23H21NO2/c1-17-12-14-19(15-13-17)21-23(26,20-10-6-3-7-11-20)22(25)24(21)16-18-8-4-2-5-9-18/h2-15,21,26H,16H2,1H3/t21-,23+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4
InChI: InChI=1S/C20H26N6O2S/c1-13-5-2-3-7-16(13)22-19(28)23-17(27)12-29-20-25-24-18(26(20)15-8-9-15)14-6-4-10-21-11-14/h4,6,10-11,13,15-16H,2-3,5,7-9,12H2,1H3,(H2,22,23,27,28)/t13-,16-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCCO
InChI: InChI=1S/C18H29NO3/c1-12-5-3-6-18(2)10-16-13(9-15(12)18)14(17(21)22-16)11-19-7-4-8-20/h13-16,19-20H,1,3-11H2,2H3/p+1/t13-,14-,15+,16+,18-/m0/s1
SMILES: CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC[C@H]2C3=C(C[C@@H]4N2[C@H]([C@@H]5CC6=C([C@H]4N5C)C(=C(C(=C6OC)C)OC)O)C#N)C(=C(C(=C3O)OC)C)OC)OCC
InChI: InChI=1S/C40H51N4O10P/c1-10-53-55(48,54-11-2)20-23-12-14-24(15-13-23)40(47)42-19-30-31-25(36(49-6)21(3)38(51-8)34(31)45)17-28-33-32-26(16-27(43(33)5)29(18-41)44(28)30)37(50-7)22(4)39(52-9)35(32)46/h12-15,27-30,33,45-46H,10-11,16-17,19-20H2,1-9H3,(H,42,47)/t27-,28-,29-,30-,33-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]2[C@@H](O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16-,17+,18+,19+,20?,21+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](CO1)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H20O7/c1-7-12(19-9(3)15)13(20-10(4)16)11(5-17-7)6-18-8(2)14/h7,11-13H,5-6H2,1-4H3/t7-,11+,12-,13-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@]4(CCO[C@H]4O3)O)C(=O)CC[C@]25CO5)C)OC(=O)/C=C/C6=CC=CC=C6)O
InChI: InChI=1S/C29H36O8/c1-17-22(32)24(37-21(31)10-9-18-7-5-4-6-8-18)27(3)23(19(30)11-12-29(27)16-35-29)26(17,2)20-15-28(33)13-14-34-25(28)36-20/h4-10,17,20,22-25,32-33H,11-16H2,1-3H3/b10-9+/t17-,20+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
SMILES: CC(CCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)NC(=O)CC[C@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)O)O)C
InChI: InChI=1S/C41H66N4O15/c1-23(4-9-33(49)50)26-5-6-27-38-28(18-31(47)41(26,27)3)40(2)11-10-25(16-24(40)17-30(38)46)42-32(48)8-7-29(39(59)60)45(14-12-43(19-34(51)52)20-35(53)54)15-13-44(21-36(55)56)22-37(57)58/h23-31,38,46-47H,4-22H2,1-3H3,(H,42,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/t23?,24?,25-,26-,27?,28?,29-,30-,31+,38?,40+,41-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H]3CCCC[C@@H]3C(=O)OC(C)(C)C
InChI: InChI=1S/C26H35NO2/c1-20(22-15-9-6-10-16-22)27(19-21-13-7-5-8-14-21)24-18-12-11-17-23(24)25(28)29-26(2,3)4/h5-10,13-16,20,23-24H,11-12,17-19H2,1-4H3/t20-,23+,24-/m1/s1