EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)O[C@@H]1C[C@@H](O[C@]2([C@@H]1CCCC2)O)COCC3=CC=CC=C3
InChI: InChI=1S/C21H32O4/c1-20(2,3)25-19-13-17(15-23-14-16-9-5-4-6-10-16)24-21(22)12-8-7-11-18(19)21/h4-6,9-10,17-19,22H,7-8,11-15H2,1-3H3/t17-,18-,19-,21-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](C13OCCO3)CC[C@@H]([C@H]2C#C[C@H](C4CCCCC4)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C26H44O4Si/c1-18-24-20(22(27)14-13-21(24)26(18)28-16-17-29-26)12-15-23(19-10-8-7-9-11-19)30-31(5,6)25(2,3)4/h18-24,27H,7-11,13-14,16-17H2,1-6H3/t18-,20+,21+,22-,23+,24-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)[C@H]([C@@H]([C@@H]5[C@H]4O5)O)O
InChI: InChI=1S/C18H14O3/c19-15-13-8-12-10(6-5-9-3-1-2-4-11(9)12)7-14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17+,18-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]2COC3=CC=CC=C3[C@@H]2N1CC4=CC=CC=C4
InChI: InChI=1S/C21H23NO3/c1-2-24-21(23)18-12-16-14-25-19-11-7-6-10-17(19)20(16)22(18)13-15-8-4-3-5-9-15/h3-11,16,18,20H,2,12-14H2,1H3/t16-,18-,20-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=CC=CC=C4NC3=O)[NH2+][C@@H]2C(C)C
InChI: InChI=1S/C20H25N3O3/c1-5-11(4)23-17(24)14-15(18(23)25)20(22-16(14)10(2)3)12-8-6-7-9-13(12)21-19(20)26/h6-11,14-16,22H,5H2,1-4H3,(H,21,26)/p+1/t11-,14+,15+,16-,20-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)CO)O)O)O)OC)O)O
InChI: InChI=1S/C28H32O12/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(39-19)12-3-5-13(6-4-12)28-27(36)26(35)24(33)20(10-29)40-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24+,26-,27+,28-/m1/s1
SMILES: CCCC[C@@]1(CC[C@@]2(O1)CC[C@@H]([C@H](O2)CCO[Si](C)(C)C(C)(C)C)C)[C@@H](C#C[Si](C)(C)C)O
InChI: InChI=1S/C27H52O4Si2/c1-11-12-16-26(24(28)15-21-32(6,7)8)18-19-27(31-26)17-13-22(2)23(30-27)14-20-29-33(9,10)25(3,4)5/h22-24,28H,11-14,16-20H2,1-10H3/t22-,23+,24+,26+,27-/m0/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@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CC=NC6=CC=CC=C56)C)C)NC(=O)O2)C
InChI: InChI=1S/C45H58N4O11/c1-11-35-45(8)39(47-43(54)59-45)26(4)36(50)24(2)23-44(7,55-20-14-15-29-22-33(48-60-29)31-18-19-46-32-17-13-12-16-30(31)32)40(27(5)37(51)28(6)41(53)57-35)58-42-38(52)34(49(9)10)21-25(3)56-42/h12-13,16-19,22,24-28,34-35,38-40,42,52H,11,20-21,23H2,1-10H3,(H,47,54)/t24-,25-,26+,27+,28-,34+,35-,38-,39-,40-,42+,44+,45-/m1/s1
SMILES: CC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)C
InChI: InChI=1S/C28H21NO4/c1-15(30)17-8-7-9-18(14-17)29-26(32)24-23-19-10-3-5-12-21(19)28(16(2)31,25(24)27(29)33)22-13-6-4-11-20(22)23/h3-14,23-25H,1-2H3/t23?,24-,25+,28?/m1/s1
SMILES: C[C@H]1CCCC[C@H]1[NH2+][C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C18H24N2O2/c1-12-7-9-14(10-8-12)20-17(21)11-16(18(20)22)19-15-6-4-3-5-13(15)2/h7-10,13,15-16,19H,3-6,11H2,1-2H3/p+1/t13-,15+,16-/m0/s1
SMILES: C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NC2=CC=C(C=C2)OC)O)O)O
InChI: InChI=1S/C39H59NO9/c1-10-11-13-26(5)37(49-39(46)40-30-17-20-32(47-9)21-18-30)28(7)35(43)24(3)15-12-14-23(2)34(42)25(4)16-19-31(41)22-33-27(6)36(44)29(8)38(45)48-33/h10-14,16-21,23-29,31,33-37,41-44H,1,15,22H2,2-9H3,(H,40,46)/b13-11-,14-12-,19-16-/t23-,24-,25-,26-,27-,28-,29+,31+,33-,34+,35+,36-,37-/m0/s1
SMILES: CC[C@]12C[C@H]3[C@]1(CCN(C2=O)CC4=CC=CC=C4)C5=CC=CC=C5NC3=O
InChI: InChI=1S/C23H24N2O2/c1-2-22-14-18-20(26)24-19-11-7-6-10-17(19)23(18,22)12-13-25(21(22)27)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,24,26)/t18-,22-,23+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]2[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@H]5C[C@@H](C(=C1C5(C)C)C)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(O2)C7=CC=CC=C7)C
InChI: InChI=1S/C42H56O9Si/c1-9-52(10-2,11-3)51-35-33-25(4)30(44)22-29(40(33,6)7)34(48-38(45)27-18-14-12-15-19-27)36-41(8)31(23-32-42(36,24-46-32)50-26(5)43)47-39(49-37(35)41)28-20-16-13-17-21-28/h12-21,29-32,34-37,39,44H,9-11,22-24H2,1-8H3/t29-,30-,31-,32+,34+,35+,36-,37-,39?,41+,42-/m0/s1
SMILES: C1CC[C@@]2([C@H](C1)[C@H]([C@@H]3CCC[C@H]2C3=O)C4=CC=CO4)O
InChI: InChI=1S/C17H22O3/c18-16-11-5-3-7-13(16)17(19)9-2-1-6-12(17)15(11)14-8-4-10-20-14/h4,8,10-13,15,19H,1-3,5-7,9H2/t11-,12+,13-,15-,17-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]([C@H]1[C@@H](O1)C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl
InChI: InChI=1S/C16H22Cl4O2Si/c1-15(2,3)23(4,5)22-14(16(18,19)20)13-12(21-13)10-6-8-11(17)9-7-10/h6-9,12-14H,1-5H3/t12-,13+,14+/m0/s1
SMILES: C[C@@]12[C@H](CCCC1=CC3=C(O2)C=C(OC3=O)C4=CC(=C(C=C4)OC)OC)O
InChI: InChI=1S/C21H22O6/c1-21-13(5-4-6-19(21)22)10-14-17(27-21)11-16(26-20(14)23)12-7-8-15(24-2)18(9-12)25-3/h7-11,19,22H,4-6H2,1-3H3/t19-,21-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@H]([C@@H]1OC(=O)C)OC(=O)[C@H]2NC(=O)C(F)(F)F
InChI: InChI=1S/C13H14F3NO7/c1-4(18)22-7-3-6-8(17-12(21)13(14,15)16)11(20)24-9(6)10(7)23-5(2)19/h6-10H,3H2,1-2H3,(H,17,21)/t6-,7+,8-,9+,10+/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C(=CC[C@@]3([C@]2(C(=O)N(C3=O)C4=C(C(=C(C(=C4F)F)F)F)F)Cl)Cl)C=C)Br)Br)O
InChI: InChI=1S/C23H12Br2Cl2F5NO4/c1-3-7-4-5-22(26)20(35)33(18-16(31)14(29)13(28)15(30)17(18)32)21(36)23(22,27)10(7)8-6-9(37-2)19(34)12(25)11(8)24/h3-4,6,10,34H,1,5H2,2H3/t10-,22-,23+/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C16H22N2O3S/c1-11(19)18-15-4-6-16(7-5-15)22(20,21)17-10-14-9-12-2-3-13(14)8-12/h4-7,12-14,17H,2-3,8-10H2,1H3,(H,18,19)/t12-,13-,14-/m0/s1
SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)OCC(COC(=O)C(CC)CC2=C(C(=C(C=C2I)I)N)I)OC(=O)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CCC6C5CC=C4C3)[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C53H72I6N2O7/c1-8-30(21-36-41(54)24-43(56)47(60)45(36)58)49(62)65-26-34(27-66-50(63)31(9-2)22-37-42(55)25-44(57)48(61)46(37)59)68-51(64)67-33-17-19-52(6)32(23-33)13-14-35-39-16-15-38(29(5)12-10-11-28(3)4)53(39,7)20-18-40(35)52/h13,24-25,28-31,33-35,38-40H,8-12,14-23,26-27,60-61H2,1-7H3/t29-,30?,31?,33+,34?,35?,38-,39?,40?,52+,53-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C18H17N3O4S/c1-11-8-16(11)17-7-4-14(25-17)9-12(10-19)18(22)21-13-2-5-15(6-3-13)26(20,23)24/h2-7,9,11,16H,8H2,1H3,(H,21,22)(H2,20,23,24)/b12-9+/t11-,16+/m1/s1
SMILES: [Li+].[Li+].[Li+].C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCCCCN)COP(=O)([O-])OP(=O)([O-])[O-])O
InChI: InChI=1S/C17H27N3O11P2.3Li/c18-8-6-4-2-1-3-5-7-12-10-20(17(23)19-16(12)22)15-9-13(21)14(30-15)11-29-33(27,28)31-32(24,25)26;;;/h10,13-15,21H,1-4,6,8-9,11,18H2,(H,27,28)(H,19,22,23)(H2,24,25,26);;;/q;3*+1/p-3/t13-,14+,15+;;;/m0.../s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)OCC=C)CCCCO)CCCCO)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C58H63N3O9/c1-3-33-60(55(64)32-23-41-21-26-46(27-22-41)61(65)66)54-39-52(59-68-40-42-15-7-5-8-16-42)50-37-45(19-11-13-34-62)49(20-12-14-35-63)56-51-38-48(30-31-53(51)70-58(54,57(50)56)67-36-4-2)69-47-28-24-44(25-29-47)43-17-9-6-10-18-43/h4-10,15-18,21-32,37-38,45,49,54,56-57,62-63H,2-3,11-14,19-20,33-36,39-40H2,1H3/t45-,49+,54-,56+,57+,58+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI: InChI=1S/C34H38O14/c1-37-21-13-19(14-22(38-2)26(21)41-5)31(35)46-29-28-25(17-44-33(48-28)18-11-9-8-10-12-18)45-34(43-7)30(29)47-32(36)20-15-23(39-3)27(42-6)24(16-20)40-4/h8-16,25,28-30,33-34H,17H2,1-7H3/t25-,28-,29+,30-,33-,34+/m1/s1
SMILES: CCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@@H]5[C@@]2(C1)O5)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C30H50O4/c1-7-32-27(31)33-21-13-16-29(6)25-14-15-28(5)23(20(4)10-8-9-19(2)3)11-12-24(28)22(25)17-26-30(29,18-21)34-26/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,28-,29-,30-/m1/s1
SMILES: CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C21H27N3O4/c1-3-12-24-20(26)16-10-6-5-9-15(16)19(23-24)21(27)28-13-18(25)22-17-11-7-4-8-14(17)2/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3,(H,22,25)/t14-,17+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=S)N3C(=N2)N(C(=O)C(=N3)CC4=CC=C(C=C4)OC)N)OC(=O)C)OC(=O)C)OC(=O)C.C1=CC=NC=C1
InChI: InChI=1S/C26H30N6O11S.C5H5N/c1-12(33)39-11-19-20(40-13(2)34)21(41-14(3)35)22(42-15(4)36)24(43-19)31-26(44)32-25(29-31)30(27)23(37)18(28-32)10-16-6-8-17(38-5)9-7-16;1-2-4-6-5-3-1/h6-9,19-22,24H,10-11,27H2,1-5H3;1-5H/t19-,20-,21+,22-,24-;/m1./s1
SMILES: CCCCCC[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H47NO14/c1-6-7-8-9-18-30(32(36(44)45)39-38(46)48-19-29-27-16-12-10-14-25(27)26-15-11-13-17-28(26)29)52-37-35(51-24(5)43)34(50-23(4)42)33(49-22(3)41)31(53-37)20-47-21(2)40/h10-17,29-35,37H,6-9,18-20H2,1-5H3,(H,39,46)(H,44,45)/t30-,31-,32+,33-,34+,35-,37-/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3I)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C30H43IN2O7/c1-3-5-9-14-30(15-10-6-4-2)39-25-20-21(28(36)33-16-13-26(35)32-17-18-34)19-24(27(25)40-30)38-29(37)22-11-7-8-12-23(22)31/h7-8,11-12,20,24-25,27,34H,3-6,9-10,13-19H2,1-2H3,(H,32,35)(H,33,36)/t24-,25-,27+/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N4[C@H]5[C@H]([C@H](N4[C@H]3C2=O)C6=CC=CC=C6C(F)(F)F)C(=O)N(C5=O)C7=CC=CC=C7)C8=CC=CC=C8C(F)(F)F
InChI: InChI=1S/C36H24F6N4O4/c37-35(38,39)23-17-9-7-15-21(23)27-25-29(33(49)43(31(25)47)19-11-3-1-4-12-19)45-28(22-16-8-10-18-24(22)36(40,41)42)26-30(46(27)45)34(50)44(32(26)48)20-13-5-2-6-14-20/h1-18,25-30H/t25-,26+,27+,28-,29-,30+
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H]2/C=C\CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H35NO4SSi/c1-17-11-13-18(14-12-17)27(24,25)22-15-7-10-20(19(22)9-8-16-23)26-28(5,6)21(2,3)4/h8-9,11-14,19-20,23H,7,10,15-16H2,1-6H3/b9-8-/t19-,20+/m0/s1
SMILES: CC1(O[C@@H]2C[C@@H]3[C@H]([C@@H]2O1)[C@H](C(=O)C=C3C(=O)OC)OC)C
InChI: InChI=1S/C15H20O6/c1-15(2)20-10-6-7-8(14(17)19-4)5-9(16)12(18-3)11(7)13(10)21-15/h5,7,10-13H,6H2,1-4H3/t7-,10+,11-,12-,13+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)F)F
InChI: InChI=1S/C17H18F2N2O3/c18-10-5-6-14(13(19)9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h5-6,9,11-12H,1-4,7-8H2,(H,20,22)/t11-,12-/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@@H]([C@@]1(C)CC/C=C(\C)/CCC=C(C)C)C(=O)OC)/C)/C)C
InChI: InChI=1S/C31H50O2/c1-23(2)14-10-16-25(5)18-12-19-27(7)22-28-29(30(32)33-9)31(28,8)21-13-20-26(6)17-11-15-24(3)4/h14-15,18,20,22,28-29H,10-13,16-17,19,21H2,1-9H3/b25-18+,26-20+,27-22+/t28-,29-,31+/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O)C
InChI: InChI=1S/C18H21NO5/c1-10-5-13(14(18(21)22)6-11(10)2)17(20)19-8-12-3-4-15-16(7-12)24-9-23-15/h3-4,7,13-14H,5-6,8-9H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H29N3O3/c1-2-27-19-10-6-5-9-18(19)23-13-11-22(12-14-23)15-24-20(25)16-7-3-4-8-17(16)21(24)26/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3/t16-,17+
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NC4=CC(=CC=C4)O)N=C(S3)C5=CC=CC=C5)(C)CO)O
InChI: InChI=1S/C28H32N2O4S/c1-27-12-11-23(33)28(2,16-31)22(27)15-21-25(30-26(35-21)17-7-4-3-5-8-17)20(27)14-24(34)29-18-9-6-10-19(32)13-18/h3-10,13,20,22-23,31-33H,11-12,14-16H2,1-2H3,(H,29,34)/t20-,22+,23-,27+,28+/m1/s1
SMILES: CCNC(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C30H38N6O4/c1-3-31-30(38)34-25-7-4-6-24(18-25)28-39-26(21(2)27(40-28)23-10-8-22(20-37)9-11-23)19-35-14-16-36(17-15-35)29-32-12-5-13-33-29/h4-13,18,21,26-28,37H,3,14-17,19-20H2,1-2H3,(H2,31,34,38)/t21-,26+,27+,28?/m0/s1
SMILES: C1C[C@@]23C=CC(=O)C[C@@H]2OC[C@@H](N3C1=O)CC4=CC=CC=C4
InChI: InChI=1S/C18H19NO3/c20-15-6-8-18-9-7-17(21)19(18)14(12-22-16(18)11-15)10-13-4-2-1-3-5-13/h1-6,8,14,16H,7,9-12H2/t14-,16-,18-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=CC=C7O)C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C34H30N4O6/c1-18-11-13-20(14-12-18)36-38-30(41)25-17-24-21(15-16-23-27(24)31(42)37(29(23)40)33(35)44)28(22-9-5-6-10-26(22)39)34(25,32(38)43)19-7-3-2-4-8-19/h2-15,23-25,27-28,36,39H,16-17H2,1H3,(H2,35,44)/t23-,24+,25-,27-,28+,34+/m0/s1
SMILES: C1C=C2[C@@H](CN1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C18H15N5/c19-8-14-13-6-7-23-9-15(13)16(12-4-2-1-3-5-12)18(10-20,11-21)17(14)22/h1-6,15-16,23H,7,9,22H2/t15-,16+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](OC([C@@H]2N(C)C(=O)OCC3=CC=CC=C3)(C)C(=O)OC)OC)C
InChI: InChI=1S/C21H29NO8/c1-20(2)28-14-15(29-20)17(25-5)30-21(3,18(23)26-6)16(14)22(4)19(24)27-12-13-10-8-7-9-11-13/h7-11,14-17H,12H2,1-6H3/t14-,15+,16-,17+,21?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C(=O)C[C@H](O1)C2=CC=C(C=C2)OC)OC(=O)C
InChI: InChI=1S/C17H20O7/c1-10(18)22-9-16-17(23-11(2)19)14(20)8-15(24-16)12-4-6-13(21-3)7-5-12/h4-7,15-17H,8-9H2,1-3H3/t15-,16+,17-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@@H](CC(SC)SC)O)C
InChI: InChI=1S/C15H28O5S2/c1-14(2)17-8-10(18-14)13-12(19-15(3,4)20-13)9(16)7-11(21-5)22-6/h9-13,16H,7-8H2,1-6H3/t9-,10-,12-,13-/m1/s1
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)O
InChI: InChI=1S/C22H21NO7/c1-11-17(24)8-7-14-13(9-18(25)30-19(11)14)10-29-22(28)12(2)23-20(26)15-5-3-4-6-16(15)21(23)27/h3-4,7-9,12,15-16,24H,5-6,10H2,1-2H3/t12-,15+,16+/m0/s1
SMILES: CC(=O)C1=C(C=C(C(=C1O)CC2=C(C(=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)C(=O)C)O)O)OC
InChI: InChI=1S/C25H30O13/c1-9(27)18-15(35-3)6-13(29)11(20(18)30)5-12-14(7-16(36-4)19(10(2)28)21(12)31)37-25-24(34)23(33)22(32)17(8-26)38-25/h6-7,17,22-26,29-34H,5,8H2,1-4H3/t17-,22-,23+,24-,25-/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[C@@]4(CCCC[C@H]4C3)O
InChI: InChI=1S/C23H29NO5/c1-15-18-7-6-17(28-2)13-20(18)29-22(26)19(15)8-9-21(25)24-12-11-23(27)10-4-3-5-16(23)14-24/h6-7,13,16,27H,3-5,8-12,14H2,1-2H3/t16-,23+/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCC(=O)O)N2C3=CC(=CC=C3)Cl
InChI: InChI=1S/C15H15ClN2O5S2/c16-9-2-1-3-10(6-9)18-11-7-25(22,23)8-12(11)24-15(18)17-13(19)4-5-14(20)21/h1-3,6,11-12H,4-5,7-8H2,(H,20,21)/t11-,12+/m1/s1
SMILES: B1(O[C@@H]2[C@@H]3C[C@@H](C3(C)C)C[C@@]2(O1)C)[C@@H]4CCCN4C(=O)[C@@H](C(C)C)N
InChI: InChI=1S/C19H33BN2O3/c1-11(2)15(21)17(23)22-8-6-7-14(22)20-24-16-13-9-12(18(13,3)4)10-19(16,5)25-20/h11-16H,6-10,21H2,1-5H3/t12-,13+,14+,15-,16-,19+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C17H19NO5/c1-23-17(22)9-4-6-12(7-5-9)18-15(19)13-10-2-3-11(8-10)14(13)16(20)21/h4-7,10-11,13-14H,2-3,8H2,1H3,(H,18,19)(H,20,21)/t10-,11+,13-,14+/m1/s1
SMILES: CC1=C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)O)(OC5)C(=O)OC)O)O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C34H48O17/c1-12-7-15(48-29-21(39)20(38)19(37)16(10-35)49-29)26(41)32(5)14(12)9-17-33-11-47-34(30(44)46-6,27(42)22(40)24(32)33)25(33)23(28(43)50-17)51-18(36)8-13(2)31(3,4)45/h7-8,14-17,19-27,29,35,37-42,45H,9-11H2,1-6H3/b13-8+/t14-,15-,16+,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-,29+,32-,33+,34-/m0/s1
SMILES: C1CCC(C1)N2[C@@H]([C@@H](C2=O)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C21H21NO4/c23-21-20(26-16-8-2-1-3-9-16)19(22(21)15-6-4-5-7-15)14-10-11-17-18(12-14)25-13-24-17/h1-3,8-12,15,19-20H,4-7,13H2/t19-,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)OC
InChI: InChI=1S/C19H26N2O5/c1-13-6-3-4-9-16(13)21-17(22)12-26-18(23)11-20-19(24)14-7-5-8-15(10-14)25-2/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,20,24)(H,21,22)/t13-,16+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(C=C(C(=O)C3(C)C)O)C
InChI: InChI=1S/C31H46O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23,32H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5=C4CC[C@](C5)(C)O)OC(=O)C)O)OC(=O)C
InChI: InChI=1S/C29H30O9/c1-13-27(37-14(2)30)21(32)11-22(36-13)18-7-8-20-24(28(18)38-15(3)31)26(34)19-6-5-16-12-29(4,35)10-9-17(16)23(19)25(20)33/h5-8,13,21-22,27,32,35H,9-12H2,1-4H3/t13-,21-,22-,27-,29+/m1/s1
SMILES: C1CC1C(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO
InChI: InChI=1S/C26H26Cl2N2O5/c27-16-8-7-15(19(28)11-16)13-30(26(34)14-5-6-14)20-12-18(25(33)29-9-10-31)22-17-3-1-2-4-21(17)35-24(22)23(20)32/h1-4,7-8,11-12,14,20,22-24,31-32H,5-6,9-10,13H2,(H,29,33)/t20-,22+,23+,24+/m1/s1
SMILES: CS(=O)/C=C\CC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/b5-3-,13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)[C@H]([C@H](S(=O)(=O)[C@@H]([C@@H]2OCC3=CC(=CC=C3)N)CC4=CC=CC=C4)CC5=CC=CC=C5)OCC6=CC(=CC=C6)N)C
InChI: InChI=1S/C37H42N2O6S/c1-37(2)44-35-33(42-23-27-15-9-17-29(38)19-27)31(21-25-11-5-3-6-12-25)46(40,41)32(22-26-13-7-4-8-14-26)34(36(35)45-37)43-24-28-16-10-18-30(39)20-28/h3-20,31-36H,21-24,38-39H2,1-2H3/t31-,32-,33+,34+,35+,36+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C=C7)O)OC)C(=O)N(C5=O)C8=CC(=C(C=C8)C)Cl
InChI: InChI=1S/C41H36ClN3O6/c1-22-9-13-26(14-10-22)43-45-38(48)31-21-30-28(16-17-29-35(30)39(49)44(37(29)47)27-15-11-23(2)32(42)20-27)36(24-12-18-33(46)34(19-24)51-3)41(31,40(45)50)25-7-5-4-6-8-25/h4-16,18-20,29-31,35-36,43,46H,17,21H2,1-3H3/t29-,30+,31-,35-,36-,41+/m0/s1
SMILES: CC1=C[C@H]([C@@H](C(C1)(C)C)C=O)C2=CN(C3=CC=CC=C32)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H25NO2/c1-17-13-20(22(16-27)25(2,3)14-17)21-15-26(23-12-8-7-11-19(21)23)24(28)18-9-5-4-6-10-18/h4-13,15-16,20,22H,14H2,1-3H3/t20-,22-/m0/s1
SMILES: C[C@H](C1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NC=C(O3)C4=CC=C(O4)[N+](=O)[O-])/C)[C@H](C)O
InChI: InChI=1S/C23H30N2O9/c1-11(7-19-24-9-18(32-19)15-4-5-20(33-15)25(29)30)6-16-22(28)21(27)14(10-31-16)8-17-23(34-17)12(2)13(3)26/h4-5,7,9,12-14,16-17,21-23,26-28H,6,8,10H2,1-3H3/b11-7+/t12-,13-,14-,16-,17-,21+,22-,23?/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]3C4=NC5=CC=CC=C5N=C4[C@H]2S3
InChI: InChI=1S/C15H11N3O2S/c1-18-14(19)8-9(15(18)20)13-11-10(12(8)21-13)16-6-4-2-3-5-7(6)17-11/h2-5,8-9,12-13H,1H3/t8-,9+,12+,13-
SMILES: C1[C@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2)[C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)OCCOCCCl)OCCOCCCl
InChI: InChI=1S/C28H36Cl2O8/c29-11-13-31-15-17-33-23-19-35-27(21-7-3-1-4-8-21)37-25(23)26-24(34-18-16-32-14-12-30)20-36-28(38-26)22-9-5-2-6-10-22/h1-10,23-28H,11-20H2/t23-,24-,25-,26-,27-,28-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COC(=O)N)C
InChI: InChI=1S/C21H30N2O8/c1-20(2,3)31-19(26)23-15(17(24)27-11-13-9-7-6-8-10-13)16-14(12-28-18(22)25)29-21(4,5)30-16/h6-10,14-16H,11-12H2,1-5H3,(H2,22,25)(H,23,26)/t14-,15-,16+/m0/s1
SMILES: CCOC(=O)[C@@H]1CSC(=N1)CNC(=O)[C@@H]2C[C@@H](CN2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C22H30N4O7S2/c1-4-33-22(32)13-8-34-14(25-13)7-24-19(28)12-5-11(6-23-12)35-18-9(2)16-15(10(3)27)20(29)26(16)17(18)21(30)31/h9-13,15-16,23,27H,4-8H2,1-3H3,(H,24,28)(H,30,31)/t9-,10-,11+,12+,13+,15-,16-/m1/s1
SMILES: CCCCC/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(=O)C)Br)O
InChI: InChI=1S/C23H33BrO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10+/t19-,21-,23+/m0/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)CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C)O)O)C
InChI: InChI=1S/C40H65N5O14/c1-23(4-7-33(50)51)26-5-6-27-38-28(16-30(47)40(26,27)3)39(2)9-8-25(14-24(39)15-29(38)46)42-31(48)17-41-32(49)18-44(20-35(54)55)12-10-43(19-34(52)53)11-13-45(21-36(56)57)22-37(58)59/h23-30,38,46-47H,4-22H2,1-3H3,(H,41,49)(H,42,48)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)/t23?,24?,25-,26+,27?,28?,29+,30-,38?,39-,40+/m0/s1
SMILES: CC1=NC2=C(C=NN2C(=N1)N(C)C3=CC=CC=C3)[C@H]4C[C@H]([C@H](O4)CO)O
InChI: InChI=1S/C18H21N5O3/c1-11-20-17-13(15-8-14(25)16(10-24)26-15)9-19-23(17)18(21-11)22(2)12-6-4-3-5-7-12/h3-7,9,14-16,24-25H,8,10H2,1-2H3/t14-,15-,16-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=O)CCC2)C(C)(C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C23H29NO5/c1-15-7-12-20(23(2,3)17-8-10-18(11-9-17)24(27)28)21(13-15)29-22(26)16-5-4-6-19(25)14-16/h8-11,14-15,20-21H,4-7,12-13H2,1-3H3/t15-,20-,21-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COCC(=O)NC2=CC(=C(C=C2)C)Cl
InChI: InChI=1S/C19H27ClN2O3/c1-12-5-4-6-17(14(12)3)22-19(24)11-25-10-18(23)21-15-8-7-13(2)16(20)9-15/h7-9,12,14,17H,4-6,10-11H2,1-3H3,(H,21,23)(H,22,24)/t12-,14-,17+/m1/s1
SMILES: CCN1C(=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)C)O)C)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C37H37N3O5/c1-5-39-33(42)27-16-15-26-28(30(27)35(39)44)19-29-34(43)40(38-25-13-11-20(2)12-14-25)36(45)37(29,24-9-7-6-8-10-24)31(26)23-17-21(3)32(41)22(4)18-23/h6-15,17-18,27-31,38,41H,5,16,19H2,1-4H3/t27-,28+,29-,30-,31-,37+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C48H53NO14/c1-26-32(61-44(56)38(58-7)36(29-17-11-8-12-18-29)49-42(54)30-19-13-9-14-20-30)24-48(57)41(62-43(55)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(53)37(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52,57H,23-25H2,1-7H3,(H,49,54)/t32-,33-,34+,36-,37+,38+,39?,41-,46+,47-,48+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)CN5C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H31NO6/c1-13-11-27-14(2)9-19-20(26(19,3)4)18(23(27)32)10-15(22(31)28(27,35)21(13)30)12-29-24(33)16-7-5-6-8-17(16)25(29)34/h5-8,10-11,14,18-22,30-31,35H,9,12H2,1-4H3/t14-,18+,19-,20+,21+,22-,27+,28-/m1/s1
SMILES: C[C@H](C/C=C/C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O)O[C@H]4OC)C)C
InChI: InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-16-29(7)23-15-17-31-24(12-13-25(32)27(31,4)5)30(23,26(33-8)34-31)19-18-28(22,29)6/h9-10,15,17,21-26,32H,1,11-14,16,18-19H2,2-8H3/b10-9+/t21-,22-,23+,24+,25+,26-,28-,29+,30+,31-/m1/s1
SMILES: C[C@@H]([C@@H]1[C@@H](N(C1=O)CC2=CC=CC=C2)CCC3=CC=CC=C3)[Si](C)(C)C4=CC=CC=C4
InChI: InChI=1S/C28H33NOSi/c1-22(31(2,3)25-17-11-6-12-18-25)27-26(20-19-23-13-7-4-8-14-23)29(28(27)30)21-24-15-9-5-10-16-24/h4-18,22,26-27H,19-21H2,1-3H3/t22-,26-,27+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)OC(=O)C)OCCCCC(CO)O
InChI: InChI=1S/C19H32O11/c1-11(21)27-10-15-16(26-8-6-5-7-14(24)9-20)17(28-12(2)22)18(29-13(3)23)19(25-4)30-15/h14-20,24H,5-10H2,1-4H3/t14?,15-,16-,17+,18-,19+/m1/s1
SMILES: CCC1=CC=C(C=C1)C[C@@]2(C[C@@H]([NH+](C[C@@H]2C)C)C)O
InChI: InChI=1S/C17H27NO/c1-5-15-6-8-16(9-7-15)11-17(19)10-14(3)18(4)12-13(17)2/h6-9,13-14,19H,5,10-12H2,1-4H3/p+1/t13-,14-,17+/m0/s1
SMILES: CC12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h11-18,20,26-29,33H,1,3-9H2,2H3,(H,30,31)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22?,23+,24+,25-/m1/s1
SMILES: C[C@@]12CC[C@H](C[C@@H]1C(=C)C(=O)O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H28O3Si/c1-11-13-10-12(19-20(6,7)15(2,3)4)8-9-16(13,5)18-14(11)17/h12-13H,1,8-10H2,2-7H3/t12-,13-,16-/m1/s1
SMILES: C1[C@@]2(C3=C[C@@H]4[C@@H](C=C3)[C@@]5([C@]4(C(=O)[C@]1([C@]2(C5=O)Cl)Cl)Cl)Cl)C6=CC=CC=C6
InChI: InChI=1S/C20H12Cl4O2/c21-17-9-16(10-4-2-1-3-5-10)11-6-7-12-13(8-11)19(23,14(17)25)18(12,22)15(26)20(16,17)24/h1-8,12-13H,9H2/t12-,13-,16+,17-,18-,19+,20-/m1/s1
SMILES: C[C@H]1[C@@H](C2=CC=CC=C2CN1CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H23N/c1-18-23(20-12-6-3-7-13-20)22-15-9-8-14-21(22)17-24(18)16-19-10-4-2-5-11-19/h2-15,18,23H,16-17H2,1H3/t18-,23+/m0/s1