EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O
InChI: InChI=1S/C26H28N6O7S/c27-23-20-24(29-14-28-23)32(15-30-20)25-22(34)21(33)19(39-25)13-38-26(35)17-8-10-18(11-9-17)40(36,37)31-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,14-15,19,21-22,25,31,33-34H,4,7,12-13H2,(H2,27,28,29)/t19-,21-,22-,25-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C16H13N3O5/c20-14(10-2-1-3-11(7-10)19(23)24)17-18-15(21)12-8-4-5-9(6-8)13(12)16(18)22/h1-5,7-9,12-13H,6H2,(H,17,20)/t8-,9+,12-,13-/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C44H53FN2O8/c1-3-24-53-44-40(47(43(51)52-4-2)28-30-16-18-33(45)19-17-30)27-38(46-54-29-31-12-6-5-7-13-31)36-25-32(14-8-10-22-48)35(15-9-11-23-49)41(42(36)44)37-26-34(50)20-21-39(37)55-44/h3,5-7,12-13,16-21,25-26,32,35,40-42,48-50H,1,4,8-11,14-15,22-24,27-29H2,2H3/t32-,35+,40-,41+,42+,44+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C
InChI: InChI=1S/C21H29N3O4/c1-12-7-5-6-8-18(12)24-20(26)15(4)28-19(25)10-9-16-13(2)17(11-22)21(27)23-14(16)3/h12,15,18H,5-10H2,1-4H3,(H,23,27)(H,24,26)/t12-,15-,18-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C4=C(C=CC(=C4)C(=O)O)N[C@@H]3C5=CC=CC=C5F
InChI: InChI=1S/C21H20FNO2/c22-16-4-2-1-3-14(16)20-19-12-6-5-11(9-12)18(19)15-10-13(21(24)25)7-8-17(15)23-20/h1-4,7-8,10-12,18-20,23H,5-6,9H2,(H,24,25)/t11-,12+,18+,19-,20+/m0/s1
SMILES: CCOC1=CC(=C(C=C1NC(=O)COC(=O)[C@H]2C[C@@H]2C)OCC)N3CCOCC3
InChI: InChI=1S/C21H30N2O6/c1-4-27-18-12-17(23-6-8-26-9-7-23)19(28-5-2)11-16(18)22-20(24)13-29-21(25)15-10-14(15)3/h11-12,14-15H,4-10,13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C(=[18O])[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C
InChI: InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1/i22+2
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=NC6=CC=CC=C6N=C5)CN7CCC8(CC7)OCCO8
InChI: InChI=1S/C42H44N4O6/c1-28-38(26-46-20-18-42(19-21-46)49-22-23-50-42)51-41(52-39(28)31-12-10-29(27-47)11-13-31)32-16-14-30(15-17-32)34-7-3-2-6-33(34)24-44-40(48)37-25-43-35-8-4-5-9-36(35)45-37/h2-17,25,28,38-39,41,47H,18-24,26-27H2,1H3,(H,44,48)/t28-,38+,39+,41+/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)CNC(=O)CCCC(=O)O)CN(C)[C@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C35H44N2O7/c1-23-30(21-37(3)24(2)33(42)27-8-5-4-6-9-27)43-35(44-34(23)28-16-14-26(22-38)15-17-28)29-18-12-25(13-19-29)20-36-31(39)10-7-11-32(40)41/h4-6,8-9,12-19,23-24,30,33-35,38,42H,7,10-11,20-22H2,1-3H3,(H,36,39)(H,40,41)/t23-,24+,30+,33+,34+,35+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCCN(C)C(=O)C)OC(=O)C
InChI: InChI=1S/C18H25N3O9/c1-10-8-21(17(25)19-16(10)24)15-7-13(29-12(3)23)14(30-15)9-28-18(26)27-6-5-20(4)11(2)22/h8,13-15H,5-7,9H2,1-4H3,(H,19,24,25)/t13-,14+,15+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C
InChI: InChI=1S/C25H26N2O5/c1-15-7-3-5-9-20(15)26-22(28)14-32-25(31)17-11-12-18-19(13-17)24(30)27(23(18)29)21-10-6-4-8-16(21)2/h4,6,8,10-13,15,20H,3,5,7,9,14H2,1-2H3,(H,26,28)/t15-,20+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]3[C@H]2O[C@@H](OC3)C4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C(Cl)(Cl)Cl)NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H38Cl6N2O14/c1-17(45)50-15-22-26(53-18(2)46)28(54-19(3)47)25(44-34(49)36(40,41)42)32(56-22)58-29-24(43-33(48)35(37,38)39)31(51-14-20-10-6-4-7-11-20)55-23-16-52-30(57-27(23)29)21-12-8-5-9-13-21/h4-13,22-32H,14-16H2,1-3H3,(H,43,48)(H,44,49)/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+/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=NC5=C(N=CN=C54)N)O
InChI: InChI=1S/C20H26N7O9PS/c1-9-4-26(20(31)25-19(9)30)14-2-10(29)13(35-14)6-33-37(32,38)36-11-3-15(34-12(11)5-28)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28-29H,2-3,5-6H2,1H3,(H,32,38)(H2,21,22,23)(H,25,30,31)/t10-,11-,12+,13+,14+,15+,37?/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C3)C(=O)CC(O4)C5=CC=CC=C5)CO)O)O)O)O)O
InChI: InChI=1S/C27H32O12/c1-12-20(30)22(32)24(34)26(35-12)39-25-23(33)21(31)19(11-28)38-27(25)36-14-7-8-15-16(29)10-17(37-18(15)9-14)13-5-3-2-4-6-13/h2-9,12,17,19-28,30-34H,10-11H2,1H3/t12-,17?,19+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC=C)C(=O)N=C(N)N4CCOCC4)C(=O)OCC=C)[C@@H](C)O
InChI: InChI=1S/C27H37N5O8S/c1-5-9-39-25(36)21-22(15(3)20-19(16(4)33)24(35)32(20)21)41-17-13-18(31(14-17)27(37)40-10-6-2)23(34)29-26(28)30-7-11-38-12-8-30/h5-6,15-20,33H,1-2,7-14H2,3-4H3,(H2,28,29,34)/t15-,16-,17+,18+,19-,20-/m1/s1
SMILES: C[C@]1(CS(=O)(=O)C[C@H]1S(=O)(=O)O)NC(=O)CC[N+](C)(C)CCC#N
InChI: InChI=1S/C13H23N3O6S2/c1-13(10-23(18,19)9-11(13)24(20,21)22)15-12(17)5-8-16(2,3)7-4-6-14/h11H,4-5,7-10H2,1-3H3,(H-,15,17,20,21,22)/p+1/t11-,13-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC=CC(=C2[N+](=O)[O-])C
InChI: InChI=1S/C18H24N2O5/c1-11-6-5-9-15(13(11)3)19-16(21)10-25-18(22)14-8-4-7-12(2)17(14)20(23)24/h4,7-8,11,13,15H,5-6,9-10H2,1-3H3,(H,19,21)/t11-,13+,15-/m1/s1
SMILES: C[C@H]1CCN([C@H]([C@@]1(C2=CC=C(C=C2)Cl)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C.Cl
InChI: InChI=1S/C28H35ClF2N2O2.ClH/c1-17-12-13-33(18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-32(27(3,4)5)15-23(24)22-11-10-21(30)14-25(22)31;/h6-11,14,17-18,23-24,35H,12-13,15-16H2,1-5H3;1H/t17-,18-,23-,24+,28-;/m0./s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3(CCC(C4)O)C)OO)C
InChI: InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20?,21-,22+,23+,24?,25+,26+,27-/m1/s1
SMILES: COC(=O)C1(CC[C@@H]2[C@H]1[C@@H]3[C@H](CC2)CC(=O)O3)C(=O)OC
InChI: InChI=1S/C15H20O6/c1-19-13(17)15(14(18)20-2)6-5-8-3-4-9-7-10(16)21-12(9)11(8)15/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11+,12+/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@H]3C[C@@H]([C@@H]([C@@]3(CC2)C(F)(F)F)CO[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C22H35F3O3Si2/c1-26-16-8-9-17-15(12-16)10-11-21(22(23,24)25)18(17)13-20(28-30(5,6)7)19(21)14-27-29(2,3)4/h8-9,12,18-20H,10-11,13-14H2,1-7H3/t18-,19+,20+,21+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H20O10/c1-7(17)21-6-12-14(23-9(3)19)15(24-10(4)20)13(22-8(2)18)11(5-16)25-12/h5,11-15H,6H2,1-4H3/t11-,12+,13-,14-,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)N5C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C38H38N2O18/c1-16(41)51-14-25-30(31(54-19(4)44)27(37(50)56-25)39-33(46)21-10-6-7-11-22(21)34(39)47)58-38-28(40-35(48)23-12-8-9-13-24(23)36(40)49)32(55-20(5)45)29(53-18(3)43)26(57-38)15-52-17(2)42/h6-13,25-32,37-38,50H,14-15H2,1-5H3/t25-,26-,27-,28-,29-,30-,31+,32+,37-,38+/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)CNNC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OC)NC(=O)CCNC(=O)[C@H]4[C@@H]([C@H]([C@H]([C@H](O2)O4)O)O)O)Cl)O
InChI: InChI=1S/C22H35ClN2O14/c1-6-11(28)16-9(23)20(35-6)38-17-10(21(34-2)36-7(5-26)12(17)29)25-8(27)3-4-24-19(33)18-14(31)13(30)15(32)22(37-16)39-18/h6-7,9-18,20-22,26,28-32H,3-5H2,1-2H3,(H,24,33)(H,25,27)/t6-,7+,9+,10+,11-,12+,13+,14+,15+,16-,17+,18+,20-,21+,22+/m0/s1
SMILES: CCC/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OC(C)OC(=O)C
InChI: InChI=1S/C22H27N5O7S2/c1-5-6-7-8-13-9-35-20-16(25-18(29)15(26-32-4)14-10-36-22(23)24-14)19(30)27(20)17(13)21(31)34-12(3)33-11(2)28/h7-8,10,12,16,20H,5-6,9H2,1-4H3,(H2,23,24)(H,25,29)/b8-7-,26-15-/t12?,16-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)SC3=CC=CC=C3)OCC4=CC=CC=C4)OC(O2)(C)C
InChI: InChI=1S/C24H28O6S/c1-16(25)26-15-19-20-21(30-24(2,3)29-20)22(27-14-17-10-6-4-7-11-17)23(28-19)31-18-12-8-5-9-13-18/h4-13,19-23H,14-15H2,1-3H3/t19-,20+,21+,22-,23+/m1/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C3([C@H]4[C@@H]3CN(C4)CC5=CC=NC=C5)C#N
InChI: InChI=1S/C24H25N5O3/c1-16(30)27-10-20-12-29(23(31)32-20)19-4-2-18(3-5-19)24(15-25)21-13-28(14-22(21)24)11-17-6-8-26-9-7-17/h2-9,20-22H,10-14H2,1H3,(H,27,30)/t20-,21-,22+,24?/m0/s1
SMILES: CCCCCC1=CC=C(C=C1)NC(=O)C2=C[C@@H]([C@@H]([C@H](O2)OC([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)OC)C(=O)N)O)O
InChI: InChI=1S/C28H36N4O11/c1-3-4-5-6-14-7-9-15(10-8-14)30-25(38)17-13-16(33)19(35)27(41-17)43-23(24(29)37)22-21(40-2)20(36)26(42-22)32-12-11-18(34)31-28(32)39/h7-13,16,19-23,26-27,33,35-36H,3-6H2,1-2H3,(H2,29,37)(H,30,38)(H,31,34,39)/t16-,19-,20+,21-,22-,23?,26+,27+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N(C)C(=O)C2=CN3C4=C(C=CC(=C4)N)N=C3S2
InChI: InChI=1S/C18H22N4OS/c1-11-5-3-4-6-14(11)21(2)17(23)16-10-22-15-9-12(19)7-8-13(15)20-18(22)24-16/h7-11,14H,3-6,19H2,1-2H3/t11-,14+/m0/s1
SMILES: B1(C2CCCC1CCC2)CC3[C@H]([C@@H]([C@H](C(O3)CCOCOC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OS(=O)(=O)C(C)(C)C
InChI: InChI=1S/C36H53BO8S/c1-36(2,3)46(38,39)45-34-32(23-37-29-17-11-18-30(37)20-12-19-29)44-31(21-22-41-26-40-4)33(42-24-27-13-7-5-8-14-27)35(34)43-25-28-15-9-6-10-16-28/h5-10,13-16,29-35H,11-12,17-26H2,1-4H3/t29?,30?,31?,32?,33-,34+,35+/m0/s1
SMILES: C1=CC=C(C=C1)C2=NN([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,19,21H/t19-,21+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCN2[C@H]1C=C[C@@H](C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H37NO3Si/c1-17(2)29(18(3)4,19(5)6)28-23-14-15-25-16-21(12-13-22(23)25)27-24(26)20-10-8-7-9-11-20/h7-13,17-19,21-23H,14-16H2,1-6H3/t21-,22-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=C(N2C3CC3)C4=CC=CC=C4F
InChI: InChI=1S/C21H27FN4OS/c1-13-7-3-6-10-18(13)23-20(27)14(2)28-21-25-24-19(26(21)15-11-12-15)16-8-4-5-9-17(16)22/h4-5,8-9,13-15,18H,3,6-7,10-12H2,1-2H3,(H,23,27)/t13-,14-,18-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=NN5C(=NC(=CC5=N4)C)C
InChI: InChI=1S/C20H24N6O2S/c1-12-5-6-17-15(9-12)16-11-24(4)8-7-18(16)26(17)29(27,28)20-22-19-10-13(2)21-14(3)25(19)23-20/h5-6,9-10,16,18H,7-8,11H2,1-4H3/t16-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=CC=C3)CN4[C@H](COC4=O)CC5=CC=CC=C5
InChI: InChI=1S/C27H26N2O4/c1-32-23-14-12-20(13-15-23)25-24(26(30)29(25)21-10-6-3-7-11-21)17-28-22(18-33-27(28)31)16-19-8-4-2-5-9-19/h2-15,22,24-25H,16-18H2,1H3/t22-,24+,25+/m0/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](C)[C@H](C(=O)C=CC(=O)CCCCCCO)OC(=O)C)C2=CC=CC=C2
InChI: InChI=1S/C26H33NO8/c1-17(25(32)27-18(2)24(35-26(27)33)20-11-7-6-8-12-20)23(34-19(3)29)22(31)15-14-21(30)13-9-4-5-10-16-28/h6-8,11-12,14-15,17-18,23-24,28H,4-5,9-10,13,16H2,1-3H3/t17-,18-,23-,24-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C
InChI: InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1
SMILES: CCCC[C@@H]1CN(CC[C@H]1N)C2=C(C=CC(=C2)C3=CC=CC=C3)OC.Cl
InChI: InChI=1S/C22H30N2O.ClH/c1-3-4-8-19-16-24(14-13-20(19)23)21-15-18(11-12-22(21)25-2)17-9-6-5-7-10-17;/h5-7,9-12,15,19-20H,3-4,8,13-14,16,23H2,1-2H3;1H/t19-,20-;/m1./s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC2=CC(=CC(=C2)Cl)Cl
InChI: InChI=1S/C16H21Cl2NO2/c1-10-4-3-5-15(11(10)2)19-16(20)9-21-14-7-12(17)6-13(18)8-14/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,15-/m0/s1
SMILES: CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CC2=CC=CC=C2CC3=CC=C(C=C3)OC)O)O)O
InChI: InChI=1S/C24H30O8/c1-3-30-24(28)31-14-20-22(26)23(27)21(25)19(32-20)13-17-7-5-4-6-16(17)12-15-8-10-18(29-2)11-9-15/h4-11,19-23,25-27H,3,12-14H2,1-2H3/t19-,20+,21-,22+,23+/m0/s1
SMILES: CCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)OC)O)C)C)C
InChI: InChI=1S/C36H58O5/c1-10-11-12-29(38)41-28-16-17-33(6)25(32(28,4)5)15-18-34(7)26(33)14-13-23-24-21-31(2,3)19-20-36(24,30(39)40-9)27(37)22-35(23,34)8/h13,24-28,37H,10-12,14-22H2,1-9H3/t24-,25+,26-,27-,28+,33+,34-,35-,36-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)CC(=O)C3=CC=C(C=C3)F)C
InChI: InChI=1S/C18H23FO5/c1-17(2)21-10-15(23-17)16-14(22-18(3,4)24-16)9-13(20)11-5-7-12(19)8-6-11/h5-8,14-16H,9-10H2,1-4H3/t14-,15-,16+/m1/s1
SMILES: C[C@@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CS4
InChI: InChI=1S/C20H17NO4S/c1-12-4-2-5-15-17(12)19(23)21(18(15)22)13-7-9-14(10-8-13)25-20(24)16-6-3-11-26-16/h2-4,6-12,15,17H,5H2,1H3/t12-,15+,17+/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)C(=O)C(=O)NCC4=CC=CC=C4)C)O
InChI: InChI=1S/C28H36N2O5/c1-19(31)28(2)18-30(27(33)26(32)29-16-20-9-5-4-6-10-20)17-23(28)21-13-14-24(34-3)25(15-21)35-22-11-7-8-12-22/h4-6,9-10,13-15,19,22-23,31H,7-8,11-12,16-18H2,1-3H3,(H,29,32)/t19-,23+,28+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]14C[C@H]4[C@@H](C2=O)F)CCC5=CC(=C(C=C35)C#N)O
InChI: InChI=1S/C20H20FNO2/c1-19-5-4-12-13-6-11(9-22)16(23)7-10(13)2-3-14(12)20(19)8-15(20)17(21)18(19)24/h6-7,12,14-15,17,23H,2-5,8H2,1H3/t12-,14-,15+,17+,19-,20-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C(C=C5O)C)[C@H]6N4[C@H](C(=O)O6)CO)O)O
InChI: InChI=1S/C27H25NO10/c1-10-6-13-19(15(30)7-10)21-22(28-14(9-29)27(35)38-26(13)28)25(34)20-12(24(21)33)4-3-5-17(20)37-18-8-16(31)23(32)11(2)36-18/h3-7,11,14,16,18,23,26,29-32H,8-9H2,1-2H3/t11-,14-,16+,18-,23-,26-/m0/s1
SMILES: CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(S3)Br
InChI: InChI=1S/C17H14BrN5S/c1-23-5-4-10-11(6-19)16(22)17(8-20,9-21)15(12(10)7-23)13-2-3-14(18)24-13/h2-4,12,15H,5,7,22H2,1H3/t12-,15-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3C(=N2)Br)NO)CO)O)O
InChI: InChI=1S/C11H14BrN5O5/c1-11(20)6(19)4(2-18)22-10(11)17-9-5(7(12)15-17)8(16-21)13-3-14-9/h3-4,6,10,18-21H,2H2,1H3,(H,13,14,16)/t4-,6-,10-,11-/m1/s1
SMILES: CC(C)OC(=O)CC/C=C\CC[C@H]1[C@H](COC1/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)O
InChI: InChI=1S/C24H33ClO6/c1-17(2)31-24(28)11-6-4-3-5-10-21-22(27)16-30-23(21)13-12-19(26)15-29-20-9-7-8-18(25)14-20/h3-4,7-9,12-14,17,19,21-23,26-27H,5-6,10-11,15-16H2,1-2H3/b4-3-,13-12+/t19-,21+,22+,23?/m1/s1
SMILES: C1[C@@H]([C@@H]1C(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CC=C3
InChI: InChI=1S/C16H13ClFNO/c17-11-6-7-15(14(18)8-11)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20)/t12-,13-/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](C2=C(NC(=O)S2)S[C@@H]1C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O7S2/c1-24-14(19)10-9(7-4-3-5-8(6-7)18(22)23)11-13(17-16(21)27-11)26-12(10)15(20)25-2/h3-6,9-10,12H,1-2H3,(H,17,21)/t9-,10-,12-/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=N3)CC(=O)NCC4=CC=C(C=C4)F)C
InChI: InChI=1S/C21H20FN5O3/c1-12-7-13(2)9-16(8-12)27-20(29)18-19(21(27)30)26(25-24-18)11-17(28)23-10-14-3-5-15(22)6-4-14/h3-9,18-19H,10-11H2,1-2H3,(H,23,28)/t18-,19-/m1/s1
SMILES: COC1=CC(=O)[C@@]2([C@@H]1O)CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC
InChI: InChI=1S/C18H23NO6/c1-23-11-8-12(21)17(14(11)22)4-5-18-15(25-3)13(24-2)10(20)9-16(17,18)6-7-19-18/h8,14,19,22H,4-7,9H2,1-3H3/t14-,16+,17-,18-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)(C)CC(=O)OC[C@H]1[C@@H](C[C@H](O1)N2C=C(C(=O)NC2=O)F)O
InChI: InChI=1S/C42H73FN3O14P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-37(48)55-29-32(30-58-61(53,54)57-24-23-46(4,5)6)59-39(50)27-42(2,3)26-38(49)56-31-35-34(47)25-36(60-35)45-28-33(43)40(51)44-41(45)52/h28,32,34-36,47H,7-27,29-31H2,1-6H3,(H-,44,51,52,53,54)/t32?,34-,35+,36+/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)CNC(=O)OCC=C)CSC4=C(C=CC=N4)C(=O)O
InChI: InChI=1S/C30H32N2O7S/c1-3-15-37-30(36)32-16-20-6-12-23(13-7-20)29-38-25(18-40-27-24(28(34)35)5-4-14-31-27)19(2)26(39-29)22-10-8-21(17-33)9-11-22/h3-14,19,25-26,29,33H,1,15-18H2,2H3,(H,32,36)(H,34,35)/t19-,25+,26+,29+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]1N2C=NC(=C2N)C#N)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H22N4O4/c25-12-20-22(26)28(15-27-20)21-11-18(13-31-23(29)16-7-3-1-4-8-16)19(21)14-32-24(30)17-9-5-2-6-10-17/h1-10,15,18-19,21H,11,13-14,26H2/t18-,19-,21-/m1/s1
SMILES: COCO[C@@H]1[C@H]([C@H]([C@@]2([C@H]1O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCOC
InChI: InChI=1S/C24H30O7/c1-25-16-29-20-21(30-17-26-2)23-24(31-23,15-27-13-18-9-5-3-6-10-18)22(20)28-14-19-11-7-4-8-12-19/h3-12,20-23H,13-17H2,1-2H3/t20-,21-,22-,23+,24-/m1/s1
SMILES: COC1=CC=CC(=C1OC)C2=NO[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4F
InChI: InChI=1S/C19H15FN2O5/c1-25-13-9-5-6-10(16(13)26-2)15-14-17(27-21-15)19(24)22(18(14)23)12-8-4-3-7-11(12)20/h3-9,14,17H,1-2H3/t14-,17+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN[C@H](C(=O)N1C)C(C)C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C19H26N2O5/c1-5-25-19(24)16-14(26-18(23)13-9-7-6-8-10-13)11-20-15(12(2)3)17(22)21(16)4/h6-10,12,14-16,20H,5,11H2,1-4H3/t14-,15-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)Cl
InChI: InChI=1S/C28H20ClNO5/c1-15-6-8-16(9-7-15)14-30-26(33)21-22(27(30)34)28(35-23(21)17-10-12-18(29)13-11-17)24(31)19-4-2-3-5-20(19)25(28)32/h2-13,21-23H,14H2,1H3/t21-,22-,23-/m0/s1
SMILES: CC(C)[C@@]1([C@@]2([C@@H]([C@H](OC2=O)COC(=O)C(C)(C)C)[C@@H](O1)COC(=O)C(C)(C)C)C)OC
InChI: InChI=1S/C23H38O8/c1-13(2)23(27-10)22(9)16(15(31-23)12-29-18(25)21(6,7)8)14(30-19(22)26)11-28-17(24)20(3,4)5/h13-16H,11-12H2,1-10H3/t14-,15+,16+,22-,23-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C22H26N2O4/c1-15-6-2-5-9-19(15)24-20(25)14-28-21(26)13-23-22(27)18-11-10-16-7-3-4-8-17(16)12-18/h3-4,7-8,10-12,15,19H,2,5-6,9,13-14H2,1H3,(H,23,27)(H,24,25)/t15-,19+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4
InChI: InChI=1S/C18H21NO3.C8H9NO2/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-6(10)9-7-2-4-8(11)5-3-7/h3,6,11-12,17H,4-5,7-9H2,1-2H3;2-5,11H,1H3,(H,9,10)/t11-,12+,17-,18-;/m0./s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CC[NH+](CC4)C5=CC=CC=C5)O)C
InChI: InChI=1S/C25H34N2O3/c1-17-7-6-8-18-15-21-22(23(28)25(17,18)2)20(24(29)30-21)16-26-11-13-27(14-12-26)19-9-4-3-5-10-19/h3-5,8-10,17,20-23,28H,6-7,11-16H2,1-2H3/p+2/t17-,20+,21+,22+,23+,25+/m0/s1
SMILES: CCOC(=[Cr])/C=C\1/C=C[C@@H]([C@H](O1)CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI: InChI=1S/C28H54O4Si2.5CO.Cr/c1-14-29-18-17-26-15-16-27(32-34(23(8)9,24(10)11)25(12)13)28(31-26)19-30-33(20(2)3,21(4)5)22(6)7;5*1-2;/h15-17,20-25,27-28H,14,19H2,1-13H3;;;;;;/b26-17-;;;;;;/t27-,28+;;;;;;/m0....../s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)OCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)O[C@@H]4[C@H]([C@H](O[C@@H]([C@H]4O)CO)OCC5=CC=CC=C5)NC(=O)C
InChI: InChI=1S/C41H49N7O13/c1-22(44-40(55)23(2)60-37-35(45-24(3)50)41(61-31(20-49)36(37)52)59-21-25-10-5-4-6-11-25)39(54)47-29(38(42)53)16-17-32(51)58-19-18-43-34-26-12-7-8-13-27(26)46-28-14-9-15-30(33(28)34)48(56)57/h4-15,22-23,29,31,35-37,41,49,52H,16-21H2,1-3H3,(H2,42,53)(H,43,46)(H,44,55)(H,45,50)(H,47,54)/t22-,23?,29+,31+,35+,36+,37+,41-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=CC=C5)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C28H23ClFN3O6/c1-28-18(24(36)32(26(28)38)13-5-8-20(30)19(29)10-13)11-17-15(22(28)12-3-2-4-14(34)9-12)6-7-16-21(17)25(37)33(23(16)35)27(31)39/h2-6,8-10,16-18,21-22,34H,7,11H2,1H3,(H2,31,39)/t16-,17+,18-,21-,22-,28+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C=C7)O)F)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl
InChI: InChI=1S/C48H36Cl2F4N4O7/c1-64-31-14-18-39(65-2)25(19-31)6-3-24-4-12-30(13-5-24)57-43(60)33-16-15-32-34(40(33)45(57)62)22-35-44(61)58(56-42-36(50)21-28(23-55-42)48(52,53)54)46(63)47(35,27-8-10-29(49)11-9-27)41(32)26-7-17-38(59)37(51)20-26/h3-15,17-21,23,33-35,40-41,59H,16,22H2,1-2H3,(H,55,56)/t33-,34+,35-,40-,41-,47+/m0/s1
SMILES: C[C@@]12CC[C@@H]3C(=CC(=O)[C@H]4[C@@]5([C@@]3(C=CC(=O)OC5(C)C)C)O4)[C@@H]1C(=O)O[C@H]2C6=COC=C6
InChI: InChI=1S/C25H26O7/c1-22(2)25-20(32-25)16(26)11-14-15(24(25,4)9-6-17(27)31-22)5-8-23(3)18(14)21(28)30-19(23)13-7-10-29-12-13/h6-7,9-12,15,18-20H,5,8H2,1-4H3/t15-,18-,19+,20+,23-,24-,25-/m1/s1
SMILES: CCCCNC(=O)C[C@H](CC=C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)[C@@H](CC=C)CC(=O)NCCCC)OC)CO)OC(=O)NC2=CC=C(C=C2)C#N
InChI: InChI=1S/C37H52N4O11/c1-6-10-18-39-29(43)20-25(12-8-3)34(45)50-32-31(52-37(47)41-27-16-14-24(22-38)15-17-27)28(23-42)49-36(48-5)33(32)51-35(46)26(13-9-4)21-30(44)40-19-11-7-2/h8-9,14-17,25-26,28,31-33,36,42H,3-4,6-7,10-13,18-21,23H2,1-2,5H3,(H,39,43)(H,40,44)(H,41,47)/t25-,26-,28+,31+,32-,33-,36-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@]2(CO2)[C@]3(CC[C@@]4(O3)C[C@@H](OC4)OC)[C@]56[C@@H]1[C@](CCC5)(C(=O)OC6)C
InChI: InChI=1S/C23H32O8/c1-14(24)30-15-9-22(13-29-22)23(8-7-20(31-23)10-16(26-3)27-11-20)21-6-4-5-19(2,17(15)21)18(25)28-12-21/h15-17H,4-13H2,1-3H3/t15-,16-,17+,19+,20-,21-,22-,23+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)NC3=C(C=C(C=C3)F)Cl
InChI: InChI=1S/C16H14ClFN2O3/c17-12-7-9(18)5-6-13(12)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-2,5-7,10-11H,3-4,8H2,(H,19,21)/t10-,11-/m0/s1
SMILES: CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC=N3)N4C[C@@H]5[C@H](C4)C5NC(=O)COC
InChI: InChI=1S/C19H22N8O2/c1-10-6-14(26-25-10)21-18-11-4-3-5-20-17(11)23-19(24-18)27-7-12-13(8-27)16(12)22-15(28)9-29-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,22,28)(H2,20,21,23,24,25,26)/t12-,13+,16?
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](C(=O)O[C@@H]2C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C27H25NO7/c29-25-22(28-27(31)34-18-21-14-8-3-9-15-21)23(32-16-19-10-4-1-5-11-19)24(35-25)26(30)33-17-20-12-6-2-7-13-20/h1-15,22-24H,16-18H2,(H,28,31)/t22-,23-,24-/m0/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC3=CC=C(C=C3)F
InChI: InChI=1S/C23H26FNO3/c1-2-16-9-13-19(14-10-16)25-22(26)20-5-3-4-6-21(20)23(27)28-15-17-7-11-18(24)12-8-17/h7-14,20-21H,2-6,15H2,1H3,(H,25,26)/t20-,21-/m0/s1
SMILES: CC1=C(C[C@H]2[C@@H]([C@@H]1OC)C(=O)C3=C(C4=C(C=CC=C4OC)C(=C23)OC)OC)O[Si](C)(C)C
InChI: InChI=1S/C25H32O6Si/c1-13-17(31-32(6,7)8)12-15-19-21(22(26)20(15)23(13)28-3)25(30-5)18-14(24(19)29-4)10-9-11-16(18)27-2/h9-11,15,20,23H,12H2,1-8H3/t15-,20-,23-/m1/s1
SMILES: COC(=O)CSCCCS[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CC2CCCCC2)O
InChI: InChI=1S/C21H34O5S2/c1-26-20(25)14-27-10-5-11-28-21-17(18(23)13-19(21)24)9-8-16(22)12-15-6-3-2-4-7-15/h8-9,15-18,21-23H,2-7,10-14H2,1H3/b9-8+/t16-,17+,18-,21-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)O[C@@H]2C[C@H]3[C@H]4CC[C@@]([C@H]3O2)(C4(C)C)C
InChI: InChI=1S/C20H28O2/c1-13(14-8-6-5-7-9-14)21-17-12-15-16-10-11-20(4,18(15)22-17)19(16,2)3/h5-9,13,15-18H,10-12H2,1-4H3/t13-,15+,16-,17+,18+,20+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7C[C@@H]([C@H]6[C@@]4(C3)C)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)O
InChI: InChI=1S/C35H56O9/c1-17-12-20-27(30(4,5)40)44-35(43-20)15-32(7)26-18(36)13-21-29(2,3)22(42-28-24(39)23(38)19(37)14-41-28)8-9-33(21)16-34(26,33)11-10-31(32,6)25(17)35/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20-,21+,22+,23+,24-,25-,26+,27+,28+,31-,32+,33-,34+,35-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC(=CC5=CC=CC=C5)C4=NO)C)C
InChI: InChI=1S/C28H35NO3/c1-18(30)32-22-11-13-27(2)21(17-22)9-10-23-24(27)12-14-28(3)25(23)16-20(26(28)29-31)15-19-7-5-4-6-8-19/h4-9,15,22-25,31H,10-14,16-17H2,1-3H3/t22-,23+,24-,25-,27-,28-/m0/s1
SMILES: CCCSC1=NC2=C(C3=CC=CC=C3N[C@H](O2)[C@H]4CC=C(C[C@H]4C)C)N=N1
InChI: InChI=1S/C21H26N4OS/c1-4-11-27-21-23-20-18(24-25-21)16-7-5-6-8-17(16)22-19(26-20)15-10-9-13(2)12-14(15)3/h5-9,14-15,19,22H,4,10-12H2,1-3H3/t14-,15+,19-/m1/s1