EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)N(C)C1(CCN(CC1)C[C@@H]2C[C@]2(C3=CC=C(C=C3)Cl)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H38ClN3O2/c1-25(38)36(3)32(27-12-8-5-9-13-27)18-20-37(21-19-32)24-29-22-33(29,28-14-16-30(34)17-15-28)31(39)35(2)23-26-10-6-4-7-11-26/h4-17,29H,18-24H2,1-3H3/t29-,33+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C16H13NO4/c18-15-13-8-1-2-9(5-8)14(13)16(19)17(15)10-3-4-11-12(6-10)21-7-20-11/h1-4,6,8-9,13-14H,5,7H2/t8-,9+,13-,14-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F
InChI: InChI=1S/C21H32FN3O3S/c1-15-7-6-9-19(16(15)2)23-21(26)17(3)24-11-13-25(14-12-24)29(27,28)20-10-5-4-8-18(20)22/h4-5,8,10,15-17,19H,6-7,9,11-14H2,1-3H3,(H,23,26)/t15-,16-,17-,19+/m1/s1
SMILES: CC1=C(C(=CC=C1)N2C(=S)N(N=N2)[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)C
InChI: InChI=1S/C15H16N4O3S/c1-8-4-3-5-10(9(8)2)18-15(23)19(17-16-18)11-6-12(20)14-21-7-13(11)22-14/h3-5,11,13-14H,6-7H2,1-2H3/t11-,13+,14+/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@](CO[Si](C)(C)C(C)(C)C)(/C(=C/CO)/CO)O)COCC2=CC=CC=C2)C
InChI: InChI=1S/C25H42O7Si/c1-23(2,3)33(6,7)30-18-25(28,20(15-27)13-14-26)22-21(31-24(4,5)32-22)17-29-16-19-11-9-8-10-12-19/h8-13,21-22,26-28H,14-18H2,1-7H3/b20-13+/t21-,22+,25-/m0/s1
SMILES: CC(C)(C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)CN2CC[C@H]([C@H]2CC3=CC=CC=C3)O
InChI: InChI=1S/C25H34N2O3/c1-25(2,3)24(30)26-20(15-19-9-11-21(28)12-10-19)17-27-14-13-23(29)22(27)16-18-7-5-4-6-8-18/h4-12,20,22-23,28-29H,13-17H2,1-3H3,(H,26,30)/t20-,22+,23+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](C(=C(C=C1C)NC2=CC=CC=C2)C(=O)OCC)C3=CC=CO3
InChI: InChI=1S/C23H25NO5/c1-4-27-22(25)19-15(3)14-17(24-16-10-7-6-8-11-16)20(23(26)28-5-2)21(19)18-12-9-13-29-18/h6-14,19,21,24H,4-5H2,1-3H3/t19-,21-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.Cl
InChI: InChI=1S/C10H15N3O4.ClH/c1-5-8(15)6(4-14)17-9(5)13-3-2-7(11)12-10(13)16;/h2-3,5-6,8-9,14-15H,4H2,1H3,(H2,11,12,16);1H/t5-,6+,8-,9+;/m0./s1
SMILES: CCOC(=O)N1[C@@H]2C[C@@H]([C@H]1CC3(C2)OCCO3)OC(=O)C
InChI: InChI=1S/C14H21NO6/c1-3-18-13(17)15-10-6-12(21-9(2)16)11(15)8-14(7-10)19-4-5-20-14/h10-12H,3-8H2,1-2H3/t10-,11-,12+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C=C(C=C3)O)O)O)O
InChI: InChI=1S/C15H16O6/c16-10-3-1-9-6-11(4-2-8(9)5-10)21-15-14(19)13(18)12(17)7-20-15/h1-6,12-19H,7H2/t12-,13+,14-,15+/m1/s1
SMILES: CCCN1C(=O)[C@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2[C@@H](O[C@@H](C4)C)C)C(=O)NC1=O
InChI: InChI=1S/C20H24N4O6/c1-4-7-22-18(26)20(17(25)21-19(22)27)9-13-8-14(24(28)29)5-6-15(13)23-10-11(2)30-12(3)16(20)23/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3,(H,21,25,27)/t11-,12+,16-,20+/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@H](C3=C(C(=C(C=C3C=C2C(=O)C4=CC=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC)C5=C(C(=C(C=C5)OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C44H38O16/c1-21(45)55-30-13-9-27(10-14-30)39(51)33-19-29-20-35(58-24(4)48)43(60-26(6)50)44(54-8)36(29)37(38(33)40(52)28-11-15-31(16-12-28)56-22(2)46)32-17-18-34(57-23(3)47)42(41(32)53-7)59-25(5)49/h9-20,37-38H,1-8H3/t37-,38+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC(=C(C=C7)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C51H60N2O10/c1-5-27-60-51-47(53(50(57)59-6-2)32-36-18-14-17-34-15-8-9-19-40(34)36)31-44(52-61-7-3)42-29-35(16-10-12-25-54)41(20-11-13-26-55)48(49(42)51)43-30-39(22-24-46(43)63-51)62-38-21-23-45(58-4)37(28-38)33-56/h5,8-9,14-15,17-19,21-24,28-30,33,35,41,47-49,54-55H,1,6-7,10-13,16,20,25-27,31-32H2,2-4H3/t35-,41+,47-,48+,49+,51+/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: CC(C)(C)C1=NO[C@H](C1)C(=O)O[C@H]2[C@H]3[C@@H]([C@@H]4[C@H]([C@@H]2O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)OC7(O4)CCCCC7)OC8(O3)CCCCC8
InChI: InChI=1S/C42H57NO8Si/c1-39(2,3)31-27-30(50-43-31)38(44)45-32-33-34(47-41(46-33)23-15-9-16-24-41)35-36(49-42(48-35)25-17-10-18-26-42)37(32)51-52(40(4,5)6,28-19-11-7-12-20-28)29-21-13-8-14-22-29/h7-8,11-14,19-22,30,32-37H,9-10,15-18,23-27H2,1-6H3/t30-,32+,33+,34+,35-,36-,37-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)O.[NH4+]
InChI: InChI=1S/C20H27N4O11PS.H3N/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(34-15)8-32-36(31,37)35-12-4-16(33-13(12)7-25)24-6-10(2)18(28)22-20(24)30;/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,37)(H,21,27,29)(H,22,28,30);1H3/t11-,12-,13+,14+,15+,16+,36?;/m0./s1
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)Cl
InChI: InChI=1S/C10H14ClN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9-/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NOC)C4=CN=CO4)CO)O)O
InChI: InChI=1S/C16H19N5O6/c1-16(24)12(23)10(5-22)27-15(16)21-4-8(9-3-17-7-26-9)11-13(20-25-2)18-6-19-14(11)21/h3-4,6-7,10,12,15,22-24H,5H2,1-2H3,(H,18,19,20)/t10-,12-,15-,16-/m1/s1
SMILES: CCOC(=O)[C@]12CC3(CC[C@]14C5=CC(=C(C=C5CCN4C(=O)C2=O)OC)OC)OCCO3
InChI: InChI=1S/C23H27NO8/c1-4-30-20(27)22-13-21(31-9-10-32-21)6-7-23(22)15-12-17(29-3)16(28-2)11-14(15)5-8-24(23)19(26)18(22)25/h11-12H,4-10,13H2,1-3H3/t22-,23+/m1/s1
SMILES: CCOC(C)OC[C@@H]1C[C@@H]2CO[Si](O[Si](O[C@H]2[C@H]1OS(=O)(=O)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C24H50O8SSi2/c1-12-27-20(10)28-14-21-13-22-15-29-34(16(2)3,17(4)5)32-35(18(6)7,19(8)9)31-24(22)23(21)30-33(11,25)26/h16-24H,12-15H2,1-11H3/t20?,21-,22+,23-,24+/m0/s1
SMILES: CC1(C[C@H]([C@@H]([C@H](C1)COCOCCCO)O)CN(C)C[C@H](CO)C(C)(C)C)C
InChI: InChI=1S/C22H45NO5/c1-21(2,3)19(14-25)13-23(6)12-17-10-22(4,5)11-18(20(17)26)15-28-16-27-9-7-8-24/h17-20,24-26H,7-16H2,1-6H3/t17-,18+,19+,20-/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CO4
InChI: InChI=1S/C20H17NO5/c1-12-6-4-7-13-17(12)19(23)21(18(13)22)14-8-2-3-9-15(14)26-20(24)16-10-5-11-25-16/h2-6,8-13,17H,7H2,1H3/t12-,13-,17+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2[14CH]=NC3=C2N=CN=C3Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H17ClN4O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/m1/s1/i6+2
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@@H]6C(=CCN7N6C(=O)N(C7=O)C8=CC=CC=C8)[C@@H]([C@@]5(C4=O)C)C=CC9=CC(=C(C=C9)O)OC)C
InChI: InChI=1S/C41H35ClN6O6S/c1-22-27-19-24(42)12-15-34(27)55-36(22)30-21-35(44(3)43-30)47-37(50)29-20-31-26(16-17-45-39(52)46(40(53)48(31)45)25-8-6-5-7-9-25)28(41(29,2)38(47)51)13-10-23-11-14-32(49)33(18-23)54-4/h5-16,18-19,21,28-29,31,49H,17,20H2,1-4H3/t28-,29-,31+,41-/m0/s1
SMILES: COC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[C@@](N3C(=O)OC)(CF)C(=O)OC)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H23FN2O7S/c1-30-14-9-10-18-16(11-14)17-12-22(13-23,20(26)31-2)24(21(27)32-3)19(17)25(18)33(28,29)15-7-5-4-6-8-15/h4-11,17,19H,12-13H2,1-3H3/t17-,19+,22-/m1/s1
SMILES: CC(C)(C)CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O
InChI: InChI=1S/C15H21ClFN5O3/c1-15(2,3)5-18-11-8-12(21-14(16)20-11)22(6-19-8)13-10(24)9(23)7(4-17)25-13/h6-7,9-10,13,23-24H,4-5H2,1-3H3,(H,18,20,21)/t7-,9-,10-,13-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)NC(=O)C(Cl)(Cl)Cl)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H36Cl3NO6/c37-36(38,39)35(41)40-34-33(45-24-29-19-11-4-12-20-29)32(44-23-28-17-9-3-10-18-28)31(43-22-27-15-7-2-8-16-27)30(46-34)25-42-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2,(H,40,41)/t30-,31+,32+,33-,34?/m1/s1
SMILES: C[C@@]12CC(=C[C@@H]([C@@]1(C(=O)OC3(O2)CCCCC3)C(F)(F)F)OC)O[Si](C)(C)C
InChI: InChI=1S/C19H29F3O5Si/c1-16-12-13(26-28(3,4)5)11-14(24-2)18(16,19(20,21)22)15(23)25-17(27-16)9-7-6-8-10-17/h11,14H,6-10,12H2,1-5H3/t14-,16+,18-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)N2[C@@H]([C@@H](NC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C6=CNC7=CC=CC=C76
InChI: InChI=1S/C31H24N4O/c36-31(20-10-2-1-3-11-20)35-28-17-9-8-16-27(28)34-29(23-18-32-25-14-6-4-12-21(23)25)30(35)24-19-33-26-15-7-5-13-22(24)26/h1-19,29-30,32-34H/t29-,30+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)CC(C)(C)C)C)[C@H](C)C(=O)NC4CC4)O
InChI: InChI=1S/C25H39N3O3S/c1-13(22(31)26-15-7-8-15)16-9-10-25(6)11-17-20(14(2)19(25)21(16)30)28-23(32-17)27-18(29)12-24(3,4)5/h13-16,19,21,30H,7-12H2,1-6H3,(H,26,31)(H,27,28,29)/t13-,14-,16+,19+,21-,25+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C21H24N2O3S/c1-13-2-5-15(6-3-13)18-12-27-21(22-18)23-19(24)11-26-20(25)10-17-9-14-4-7-16(17)8-14/h2-3,5-6,12,14,16-17H,4,7-11H2,1H3,(H,22,23,24)/t14-,16+,17+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@H]([C@H]2CC(=O)N(C)CC3=CC=CC=C3)O)(C)CO)O
InChI: InChI=1S/C23H35NO4/c1-22-12-11-20(27)23(2,15-25)19(22)10-9-18(26)17(22)13-21(28)24(3)14-16-7-5-4-6-8-16/h4-8,17-20,25-27H,9-15H2,1-3H3/t17-,18-,19-,20-,22+,23+/m1/s1
SMILES: CCC(=O)C1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3C)C=C1
InChI: InChI=1S/C20H27NO/c1-3-19(22)15-8-7-14-13-18-16-6-4-5-9-20(16,17(14)12-15)10-11-21(18)2/h7-8,12,16,18H,3-6,9-11,13H2,1-2H3/t16-,18+,20+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F
InChI: InChI=1S/C18H21BrFNO3/c1-12-4-2-3-5-16(12)21-17(22)11-24-18(23)9-6-13-10-14(19)7-8-15(13)20/h6-10,12,16H,2-5,11H2,1H3,(H,21,22)/b9-6+/t12-,16+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[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)NCC=C
InChI: InChI=1S/C49H50N4O10/c1-5-25-50-44(56)38-41-46(58)63-42(33-19-10-7-11-20-33)40(32-17-8-6-9-18-32)53(41)43(34-21-12-13-22-37(34)62-28-27-55)49(38)35-29-31(16-14-15-26-54)23-24-36(35)52(47(49)59)48(60)51-39(30(2)3)45(57)61-4/h5-13,17-24,29-30,38-43,54-55H,1,15,25-28H2,2-4H3,(H,50,56)(H,51,60)/t38-,39-,40-,41-,42+,43+,49-/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C18H20N2O5/c1-11-4-2-3-7-18(11)16(22)20(17(23)19-18)9-13(21)12-5-6-14-15(8-12)25-10-24-14/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,23)/t11-,18-/m0/s1
SMILES: CC1(OC[C@]2(C3=C(C=C(C=C3O[Si](C)(C)C(C)(C)C)C(=O)OC)N4C[C@H]5[C@@H]([C@@]2(O1)O4)N5C(=O)OC(C)(C)C)C=O)C
InChI: InChI=1S/C29H42N2O9Si/c1-25(2,3)37-24(34)31-19-14-30-18-12-17(23(33)35-9)13-20(38-41(10,11)26(4,5)6)21(18)28(15-32)16-36-27(7,8)39-29(28,40-30)22(19)31/h12-13,15,19,22H,14,16H2,1-11H3/t19-,22-,28-,29+,31?/m0/s1
SMILES: C1=CC=C(C=C1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H18N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h1-7,9,12,14-15,17,22-24H,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@H]2[C@@H]([C@@H]1OCC3=CC=CC=C3)O[C@@]4(CCCCO4)[C@@]5(O2)CCCCO5)O
InChI: InChI=1S/C24H34O6/c1-17-15-19(25)21-22(20(17)26-16-18-9-3-2-4-10-18)30-24(12-6-8-14-28-24)23(29-21)11-5-7-13-27-23/h2-4,9-10,17,19-22,25H,5-8,11-16H2,1H3/t17-,19-,20-,21-,22-,23+,24+/m1/s1
SMILES: CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@@H]3[C@@H]5CC[C@H]4C5)C6=CC=CC=C6
InChI: InChI=1S/C26H31N3O/c1-28-11-13-29(14-12-28)26(30)20-9-10-22-21(16-20)23-18-7-8-19(15-18)24(23)25(27-22)17-5-3-2-4-6-17/h2-6,9-10,16,18-19,23-25,27H,7-8,11-15H2,1H3/t18-,19+,23-,24+,25+/m1/s1
SMILES: CCCCCC(=O)/C=C/[C@@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H36O4Si/c1-7-8-9-10-15(22)11-12-16-17-13-20(23)24-18(17)14-19(16)25-26(5,6)21(2,3)4/h11-12,16-19H,7-10,13-14H2,1-6H3/b12-11+/t16-,17+,18-,19+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC2=CC=CC=C2)NC(=O)C)O)NC(=O)C
InChI: InChI=1S/C17H24N2O5/c1-10-14(18-11(2)20)16(22)15(19-12(3)21)17(24-10)23-9-13-7-5-4-6-8-13/h4-8,10,14-17,22H,9H2,1-3H3,(H,18,20)(H,19,21)/t10-,14-,15-,16+,17+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CN=C(N=C5)N)C)C)NC(=O)O2)C
InChI: InChI=1S/C40H55FN6O11/c1-11-28-40(8)31(45-37(52)57-40)22(4)29(48)20(2)17-38(6,53-14-12-13-25-16-26(46-58-25)24-18-43-36(42)44-19-24)33(23(5)32(50)39(7,41)35(51)55-28)56-34-30(49)27(47(9)10)15-21(3)54-34/h16,18-23,27-28,30-31,33-34,49H,11,14-15,17H2,1-10H3,(H,45,52)(H2,42,43,44)/t20-,21-,22+,23+,27+,28-,30-,31+,33-,34+,38+,39?,40-/m1/s1
SMILES: CCN(CC)C(=S)SC(C[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](OC1=O)O[C@@](CC3)(OO4)C)C)SC(=S)N(CC)CC
InChI: InChI=1S/C26H42N2O5S4/c1-7-27(8-2)23(34)36-20(37-24(35)28(9-3)10-4)15-17-19-12-11-16(5)18-13-14-25(6)31-22(30-21(17)29)26(18,19)33-32-25/h16-20,22H,7-15H2,1-6H3/t16-,17-,18+,19+,22-,25-,26-/m1/s1
SMILES: COC1=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)C(=O)N)O
InChI: InChI=1S/C28H22Cl2FN3O7/c1-41-19-10-12(2-9-18(19)35)21-15-7-8-16-20(23(37)34(22(16)36)26(32)40)17(15)11-27(29)24(38)33(25(39)28(21,27)30)14-5-3-13(31)4-6-14/h2-7,9-10,16-17,20-21,35H,8,11H2,1H3,(H2,32,40)/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: CN1[C@H]2C[C@@H]3[C@H]([C@@H]1CC4=C2N(C5=CC=CC=C45)C)COC=C3C=C
InChI: InChI=1S/C21H24N2O/c1-4-13-11-24-12-17-15(13)9-20-21-16(10-19(17)22(20)2)14-7-5-6-8-18(14)23(21)3/h4-8,11,15,17,19-20H,1,9-10,12H2,2-3H3/t15-,17+,19-,20-/m0/s1
SMILES: C=CCO[C@H]1[C@H]2[C@@H]([C@@H]([C@H]([C@@H]1OCC=C)OCC3=CC=CC=C3)OCC=C)OC4(O2)CCCCC4
InChI: InChI=1S/C28H38O6/c1-4-17-29-22-23(32-20-21-13-9-7-10-14-21)25(31-19-6-3)27-26(24(22)30-18-5-2)33-28(34-27)15-11-8-12-16-28/h4-7,9-10,13-14,22-27H,1-3,8,11-12,15-20H2/t22-,23-,24+,25+,26-,27+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)[C@H]2[C@@H]3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
InChI: InChI=1S/C23H24N4O/c1-2-3-12-28-17-10-8-16(9-11-17)21-19-7-5-4-6-18(19)20(13-24)22(27)23(21,14-25)15-26/h6,8-11,19,21H,2-5,7,12,27H2,1H3/t19-,21+/m1/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)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C49H59N3O11/c1-4-7-27-59-48(56)51(23-5-2)45-31-43(50-61-33-34-17-19-37(20-18-34)52(57)58)41-29-36(14-8-10-24-53)40(16-9-11-25-54)46-42-30-39(62-38-15-12-13-35(28-38)32-55)21-22-44(42)63-49(45,47(41)46)60-26-6-3/h4,6,12-13,15,17-22,28-30,32,36,40,45-47,53-54H,1,3,5,7-11,14,16,23-27,31,33H2,2H3/t36-,40+,45-,46+,47+,49+/m0/s1
SMILES: C1C[C@H]2C[C@H](N([C@H]2C1)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C23H25NO4/c25-22(27-15-17-8-3-1-4-9-17)21-14-19-12-7-13-20(19)24(21)23(26)28-16-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/t19-,20-,21-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)CC[C@@H](C4=CC=CC=C4)O
InChI: InChI=1S/C26H27NO4/c1-30-21-12-8-19(9-13-21)25-23(16-17-24(28)18-6-4-3-5-7-18)26(29)27(25)20-10-14-22(31-2)15-11-20/h3-15,23-25,28H,16-17H2,1-2H3/t23-,24+,25-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C(=O)C[C@H]1[C@@H](OCCCOCCOCCCO1)CC(=O)N(CCCCCCCC)CCCCCCCC
InChI: InChI=1S/C46H90N2O6/c1-5-9-13-17-21-25-31-47(32-26-22-18-14-10-6-2)45(49)41-43-44(54-38-30-36-52-40-39-51-35-29-37-53-43)42-46(50)48(33-27-23-19-15-11-7-3)34-28-24-20-16-12-8-4/h43-44H,5-42H2,1-4H3/t43-,44-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=C(C=CC(=C6)OC(F)(F)F)O
InChI: InChI=1S/C30H21F3N2O8/c1-13-10-23(37)21-12-19-17(24(26(21)27(13)38)20-11-16(6-9-22(20)36)43-30(31,32)33)7-8-18-25(19)29(40)34(28(18)39)14-2-4-15(5-3-14)35(41)42/h2-7,9-11,18-19,24-25,36H,8,12H2,1H3/t18-,19+,24+,25-/m0/s1
SMILES: CC1=CC[C@H]2[C@@]3(CCCC([C@H]3CC[C@@]2([C@H]1C(C/C(=C/CC/C(=C/CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)/C)/C)OC(=S)SC)C)(C)C)C
InChI: InChI=1S/C48H70O2S2Si/c1-35(29-33-49-53(45(4,5)6,38-22-14-12-15-23-38)39-24-16-13-17-25-39)20-18-21-36(2)34-40(50-44(51)52-11)43-37(3)26-27-42-47(9)31-19-30-46(7,8)41(47)28-32-48(42,43)10/h12-17,21-26,29,40-43H,18-20,27-28,30-34H2,1-11H3/b35-29+,36-21+/t40?,41-,42+,43-,47-,48+/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O6S/c1-27-15-8-6-13(7-9-15)20-17-11-28(25,26)10-16(17)19(18(20)22)12-2-4-14(5-3-12)21(23)24/h2-9,16-17H,10-11H2,1H3/t16-,17-/m1/s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)CN(CC3CCCCC3)CC4CCCCC4)O)O)O)O
InChI: InChI=1S/C32H59NO8/c1-2-3-4-5-6-13-18-38-31-30(37)28(35)26(41-31)22-39-32-29(36)27(34)25(40-32)21-33(19-23-14-9-7-10-15-23)20-24-16-11-8-12-17-24/h23-32,34-37H,2-22H2,1H3/t25-,26-,27-,28-,29+,30+,31+,32+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)Cl)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C25H20ClN3O3/c1-27(2)17-11-7-15(8-12-17)21-22(25(32)28(21)18-13-9-16(26)10-14-18)29-23(30)19-5-3-4-6-20(19)24(29)31/h3-14,21-22H,1-2H3/t21-,22+/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)CCCCCNC(=O)C)CN(C)[C@@H](C)[C@@H](C5=CC=CC=C5)O
InChI: InChI=1S/C44H55N3O6/c1-30-40(28-47(4)31(2)42(51)35-13-7-5-8-14-35)52-44(53-43(30)36-20-18-33(29-48)19-21-36)37-24-22-34(23-25-37)39-16-11-10-15-38(39)27-46-41(50)17-9-6-12-26-45-32(3)49/h5,7-8,10-11,13-16,18-25,30-31,40,42-44,48,51H,6,9,12,17,26-29H2,1-4H3,(H,45,49)(H,46,50)/t30-,31+,40+,42+,43+,44+/m1/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)COP(=O)([O-])[O-])O)C)O)F)C
InChI: InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2/t12-,15-,16-,17+,19-,20-,21-,22-/m0/s1
SMILES: CCOCCC(=O)OC1=C2C3=C(C4=C1C=CC=C4OC[C@H]5[C@@H](C6C([C@H](O5)C)OC(O6)C7=CC=CC=C7)OC[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)OC)O)OC(=O)C9=C(C=CC(=C93)OC2=O)C
InChI: InChI=1S/C46H48O16/c1-6-53-18-17-30(47)59-39-25-13-10-14-26(32(25)41-34-33-27(58-45(51)35(34)39)16-15-21(2)31(33)44(50)60-41)54-20-29-40(55-19-28-37(49)42(52-5)36(48)22(3)56-28)43-38(23(4)57-29)61-46(62-43)24-11-8-7-9-12-24/h7-16,22-23,28-29,36-38,40,42-43,46,48-49H,6,17-20H2,1-5H3/t22-,23-,28-,29+,36+,37+,38?,40+,42+,43?,46?/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)N4CCOCC4
InChI: InChI=1S/C26H29N3O5/c1-17-6-8-18(9-7-17)27-25(31)22-16-19(10-11-23(22)29-12-14-34-15-13-29)28-24(30)20-4-2-3-5-21(20)26(32)33/h2-3,6-11,16,20-21H,4-5,12-15H2,1H3,(H,27,31)(H,28,30)(H,32,33)/t20-,21-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O10/c1-8(18)23-7-13-14(24-9(2)19)6-15(25-10(3)20)17(27-12(5)22)16(13)26-11(4)21/h13-17H,6-7H2,1-5H3/t13-,14+,15+,16-,17+/m1/s1
SMILES: CC(C)([C@H]1C[C@@]23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C(=N)N)OC)O
InChI: InChI=1S/C24H31N3O4/c1-21(2,28)15-12-22-7-8-24(15,30-4)19-23(22)9-10-27(20(25)26)16(22)11-13-5-6-14(29-3)18(31-19)17(13)23/h5-8,15-16,19,28H,9-12H2,1-4H3,(H3,25,26)/t15-,16-,19-,22-,23+,24+/m1/s1
SMILES: COC1=CC=C(C=C1)C[C@@H]2[C@H]3NC(=O)C4=CC=CC=C4N3CC5=CC=CC=C25
InChI: InChI=1S/C24H22N2O2/c1-28-18-12-10-16(11-13-18)14-21-19-7-3-2-6-17(19)15-26-22-9-5-4-8-20(22)24(27)25-23(21)26/h2-13,21,23H,14-15H2,1H3,(H,25,27)/t21-,23-/m0/s1
SMILES: C1=CC=C(C=C1)COCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9)O
InChI: InChI=1S/C63H65O16P3/c64-58-59(70-49-68-41-50-25-9-1-10-26-50)62(78-81(66,73-45-54-33-17-5-18-34-54)74-46-55-35-19-6-20-36-55)61(69-42-51-27-11-2-12-28-51)63(79-82(67,75-47-56-37-21-7-22-38-56)76-48-57-39-23-8-24-40-57)60(58)77-80(65,71-43-52-29-13-3-14-30-52)72-44-53-31-15-4-16-32-53/h1-40,58-64H,41-49H2/t58-,59+,60+,61-,62+,63-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=C4C(=C5C=C(S[C@@]5([C@]3(S2)C)C)C(=O)N[C@H](C)C6=CC=CC=C6)C(C(C4(F)F)(F)F)(F)F
InChI: InChI=1S/C33H28F6N2O2S2/c1-17(19-11-7-5-8-12-19)40-27(42)23-15-21-25-26(32(36,37)33(38,39)31(25,34)35)22-16-24(45-30(22,4)29(21,3)44-23)28(43)41-18(2)20-13-9-6-10-14-20/h5-18H,1-4H3,(H,40,42)(H,41,43)/t17-,18-,29+,30+/m1/s1
SMILES: C1CN(CCC1CC(C2CCOCC2)O)C[C@H]3CN(C[C@@H]3C4=CSC=C4)CC5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C28H38Cl2N2O2S/c29-25-2-1-22(27(30)14-25)15-32-17-24(26(18-32)23-7-12-35-19-23)16-31-8-3-20(4-9-31)13-28(33)21-5-10-34-11-6-21/h1-2,7,12,14,19-21,24,26,28,33H,3-6,8-11,13,15-18H2/t24-,26+,28?/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCCCCCC9)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C59H54N4O11/c1-71-46-29-24-39(25-30-46)20-21-40-26-31-49-48(36-40)59(57(67)61(49)58(68)73-38-41-22-27-45(28-23-41)63(69)70)50(55(65)60-32-11-3-2-4-12-33-60)52-56(66)74-53(43-16-9-6-10-17-43)51(42-14-7-5-8-15-42)62(52)54(59)44-18-13-19-47(37-44)72-35-34-64/h5-10,13-19,22-31,36-37,50-54,64H,2-4,11-12,32-35,38H2,1H3/t50-,51-,52-,53+,54+,59-/m1/s1
SMILES: C[C@H](CCC(=O)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)O)C)C
InChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19+,20-,21-,23+,24-/m1/s1
SMILES: CC(C)C[C@]1(C[C@H]([C@@H](N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C4=NC=CN=C4)C(=O)O
InChI: InChI=1S/C27H32N4O3S/c1-17(2)14-27(25(33)34)15-20(21-16-28-10-11-29-21)22(23-30-12-13-35-23)31(27)24(32)18-6-8-19(9-7-18)26(3,4)5/h6-13,16-17,20,22H,14-15H2,1-5H3,(H,33,34)/t20-,22+,27-/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)C=CC9=CC=C(C=C9)[N+](=O)[O-])OCC=C)C=O
InChI: InChI=1S/C62H63N3O11/c1-3-34-73-62-58(64(39-46-19-13-18-44-16-7-8-20-51(44)46)59(69)31-24-42-22-25-48(26-23-42)65(70)71)38-55(63-74-41-43-14-5-4-6-15-43)53-36-45(17-9-11-32-66)52(21-10-12-33-67)60(61(53)62)54-37-50(28-30-57(54)76-62)75-49-27-29-56(72-2)47(35-49)40-68/h3-8,13-16,18-20,22-31,35-37,40,45,52,58,60-61,66-67H,1,9-12,17,21,32-34,38-39,41H2,2H3/t45-,52+,58-,60+,61+,62+/m0/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OCC2=CC=CC=C2)OC)OC)OC
InChI: InChI=1S/C17H26O6/c1-18-11-13-14(19-2)15(20-3)16(21-4)17(23-13)22-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16+,17-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCCCCCNC(=O)OC(C)(C)C)OC(=O)C)OCC=C)OC(=O)C
InChI: InChI=1S/C26H43NO11/c1-8-14-32-22-21(35-18(3)29)20(16-34-17(2)28)37-24(23(22)36-19(4)30)33-15-12-10-9-11-13-27-25(31)38-26(5,6)7/h8,20-24H,1,9-16H2,2-7H3,(H,27,31)/t20-,21+,22+,23-,24-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](C(O1)F)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C20H22FN3O3/c1-14-18(25-12-15-8-4-2-5-9-15)19(17(23-24-22)20(21)27-14)26-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3/t14-,17-,18-,19-,20?/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCN(CC3=C(N2C1=O)C(=O)OCC=C)C(=O)CNC(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H41N3O7Si/c1-9-13-35-25(33)23-19-16-29(20(31)15-28-26(34)36-14-10-2)12-11-18(19)22-21(24(32)30(22)23)17(3)37-38(7,8)27(4,5)6/h9-10,17-18,21-22H,1-2,11-16H2,3-8H3,(H,28,34)/t17-,18+,21-,22-/m1/s1
SMILES: CCCCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C(/CCCC(=O)O)\C#N)/O2)O)O
InChI: InChI=1S/C22H33NO5/c1-3-4-6-14(2)18(24)10-9-16-17-11-20(28-21(17)12-19(16)25)15(13-23)7-5-8-22(26)27/h9-10,14,16-19,21,24-25H,3-8,11-12H2,1-2H3,(H,26,27)/b10-9+,20-15+/t14?,16-,17-,18-,19-,21+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)C(=C)C
InChI: InChI=1S/C17H21NO6S/c1-10(2)17(19)24-14-9-23-15-13(8-22-16(14)15)18-25(20,21)12-6-4-11(3)5-7-12/h4-7,13-16,18H,1,8-9H2,2-3H3/t13-,14-,15-,16-/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)C4=CC=CC=C4)CN5C=NC(=C5Cl)Cl
InChI: InChI=1S/C29H27Cl2N3O4/c1-18-24(15-34-17-32-26(30)27(34)31)37-29(38-25(18)20-9-7-19(16-35)8-10-20)22-11-13-23(14-12-22)33-28(36)21-5-3-2-4-6-21/h2-14,17-18,24-25,29,35H,15-16H2,1H3,(H,33,36)/t18-,24+,25+,29+/m0/s1
SMILES: C[C@H]1C[C@H](C2=C3[C@@H]1CC=C(C3=C(C=C2C)OC)C)C=C(C)C
InChI: InChI=1S/C21H28O/c1-12(2)9-16-10-14(4)17-8-7-13(3)20-18(22-6)11-15(5)19(16)21(17)20/h7,9,11,14,16-17H,8,10H2,1-6H3/t14-,16+,17+/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=CC=CC(=C5)[N+](=O)[O-])OCC=C)CCCCO)CCCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C47H58N4O12/c1-6-23-49(45(54)61-34-19-17-32(18-20-34)50(55)56)42-30-40(48-63-46(3,4)5)38-27-31(13-8-10-24-52)37(16-9-11-25-53)43-39-29-36(60-35-15-12-14-33(28-35)51(57)58)21-22-41(39)62-47(42,44(38)43)59-26-7-2/h7,12,14-15,17-22,27-29,31,37,42-44,52-53H,2,6,8-11,13,16,23-26,30H2,1,3-5H3/t31-,37+,42-,43+,44+,47+/m0/s1