EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(CCSCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C26H48N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-16,18-20,24,28,34-36,38H,5-12H2,1-4H3,(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,16?,18-,19-,20?,24-/m1/s1
SMILES: CC(=O)/C=C\C(=O)O[C@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C31H32O7/c1-23(32)17-18-28(33)38-31-30(36-21-26-15-9-4-10-16-26)29(35-20-25-13-7-3-8-14-25)27(37-31)22-34-19-24-11-5-2-6-12-24/h2-18,27,29-31H,19-22H2,1H3/b18-17-/t27-,29-,30+,31+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H24N2OS/c1-14-6-8-16(9-7-14)19-21-18(13-24-19)20(23)22-11-10-15-4-2-3-5-17(15)12-22/h6-9,13,15,17H,2-5,10-12H2,1H3/t15-,17+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(/C=C/C5=CC=CC=C5)O)C)C
InChI: InChI=1S/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
SMILES: C[C@H](C1SCCCS1)[C@]2([C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C)C)O)O
InChI: InChI=1S/C41H58O3S2Si/c1-28(37-45-24-13-25-46-37)41(43)36(42)27-35-33-19-18-29-26-30(20-22-39(29,5)34(33)21-23-40(35,41)6)44-47(38(2,3)4,31-14-9-7-10-15-31)32-16-11-8-12-17-32/h7-12,14-18,28,30,33-37,42-43H,13,19-27H2,1-6H3/t28-,30+,33-,34+,35+,36-,39+,40+,41-/m1/s1
SMILES: C1CC2CC1CC2CC(=O)N(CC3=CC=CC=C3F)[C@@H]4C=C([C@H]5[C@@H]([C@H]4O)OC6=CC=CC=C56)C(=O)NCCO
InChI: InChI=1S/C31H35FN2O5/c32-24-7-3-1-5-20(24)17-34(27(36)15-21-14-18-9-10-19(21)13-18)25-16-23(31(38)33-11-12-35)28-22-6-2-4-8-26(22)39-30(28)29(25)37/h1-8,16,18-19,21,25,28-30,35,37H,9-15,17H2,(H,33,38)/t18?,19?,21?,25-,28+,29+,30+/m1/s1
SMILES: CCCNC(=O)N1C[C@H]2[C@@H]([C@@H](N3[C@]2(C1)C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)Br)CC
InChI: InChI=1S/C28H31BrN4O5/c1-3-11-30-26(35)31-14-21-20(4-2)24(18-6-8-19(29)9-7-18)33-27(36)32(25(34)28(21,33)15-31)13-17-5-10-22-23(12-17)38-16-37-22/h5-10,12,20-21,24H,3-4,11,13-16H2,1-2H3,(H,30,35)/t20-,21-,24-,28-/m0/s1
SMILES: C1CC[C@]2([C@@H](C1)C(C(=C(O2)N)C#N)(C#N)C#N)N3CCOCC3
InChI: InChI=1S/C16H19N5O2/c17-9-12-14(20)23-16(21-5-7-22-8-6-21)4-2-1-3-13(16)15(12,10-18)11-19/h13H,1-8,20H2/t13-,16-/m0/s1
SMILES: C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O
InChI: InChI=1S/C15H22N6O5S.C6H13NO5/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;7-3-5(10)4(9)2(1-8)12-6(3)11/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-6,8-11H,1,7H2/t7-,8+,10+,11+,14+,27?;2-,3-,4-,5-,6?/m01/s1
SMILES: C1[C@H]([C@@H]1C(=O)NN=CC2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI: InChI=1S/C17H15BrN2O/c18-14-8-6-12(7-9-14)11-19-20-17(21)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2,(H,20,21)/t15-,16+/m0/s1
SMILES: C1C[C@H]2[C@@H](COP(=O)(O2)F)NC1.C(F)(F)(F)S(=O)(=O)O
InChI: InChI=1S/C6H11FNO3P.CHF3O3S/c7-12(9)10-4-5-6(11-12)2-1-3-8-5;2-1(3,4)8(5,6)7/h5-6,8H,1-4H2;(H,5,6,7)/t5-,6+,12?;/m1./s1
SMILES: C1CC[C@]2([C@H](C1)[C@@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)N5CCCC5
InChI: InChI=1S/C23H28N2O/c1-3-11-19(12-4-1)22-21-15-7-8-16-23(21,24-17-9-10-18-24)26-25(22)20-13-5-2-6-14-20/h1-6,11-14,21-22H,7-10,15-18H2/t21-,22+,23+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]([C@]23C(=NOC3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H17NO3/c26-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)24(20)22(25-28-23(24)27)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20-,24-/m0/s1
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)O
InChI: InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16+,18-,19-,20+,22+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@H]([C@@H]4N2CCC4)C(=O)N(C3=O)C5=C(C=CC(=C5)[N+](=O)[O-])OC
InChI: InChI=1S/C24H23N3O7/c1-33-15-8-5-13(6-9-15)22(28)21-20-19(16-4-3-11-25(16)21)23(29)26(24(20)30)17-12-14(27(31)32)7-10-18(17)34-2/h5-10,12,16,19-21H,3-4,11H2,1-2H3/t16-,19+,20-,21+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@@]2([C@H]1N(C3=CC=CC=C32)C(=O)OC(C)(C)C)[Se]C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C28H34N2O6Se/c1-26(2,3)35-24(32)29-20-16-12-11-15-19(20)28(37-18-13-9-8-10-14-18)17-21(22(31)34-7)30(23(28)29)25(33)36-27(4,5)6/h8-16,21,23H,17H2,1-7H3/t21-,23-,28+/m0/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)NC(C)C)/C
InChI: InChI=1S/C42H56N2O13/c1-19(2)43-30(46)18-54-29-17-27-37(50)32-31(29)33-39(25(8)36(32)49)57-42(10,40(33)51)55-16-15-28(53-11)22(5)38(56-26(9)45)24(7)35(48)23(6)34(47)20(3)13-12-14-21(4)41(52)44-27/h12-17,19-20,22-24,28,34-35,38,47-50H,18H2,1-11H3,(H,43,46)(H,44,52)/b13-12+,16-15+,21-14-/t20-,22+,23+,24+,28-,34-,35+,38+,42-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C17H19Cl2NO3/c18-13-6-14(19)8-15(7-13)20-16(21)9-23-17(22)5-12-4-10-1-2-11(12)3-10/h6-8,10-12H,1-5,9H2,(H,20,21)/t10-,11+,12-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2C3=C(C[C@H](O2)C(=O)C)C(=O)C4=CC=CC=C4C3=O)N5CCOCC5)O
InChI: InChI=1S/C25H29NO8/c1-13(27)19-11-17-21(24(30)16-6-4-3-5-15(16)23(17)29)25(33-19)34-20-12-18(22(28)14(2)32-20)26-7-9-31-10-8-26/h3-6,14,18-20,22,25,28H,7-12H2,1-2H3/t14-,18-,19-,20-,22+,25+/m0/s1
SMILES: CCCCN1C(=O)[C@H]2[C@H](N(O[C@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C21H21ClN2O3/c1-2-3-13-23-20(25)17-18(14-7-5-4-6-8-14)24(27-19(17)21(23)26)16-11-9-15(22)10-12-16/h4-12,17-19H,2-3,13H2,1H3/t17-,18+,19+/m0/s1
SMILES: CC(C)[C@H]\1[C@H](N[C@@H](C/C1=N\O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/b22-18+/t17-,19+,20+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C21H31N3O4S/c1-16-5-3-4-6-20(16)22-21(26)15-23-11-13-24(14-12-23)29(27,28)19-9-7-18(8-10-19)17(2)25/h7-10,16,20H,3-6,11-15H2,1-2H3,(H,22,26)/t16-,20-/m0/s1
SMILES: C[Si](C)(C)CCOCN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OCOCC[Si](C)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C21H39N5O7Si2/c1-34(2,3)11-9-30-14-26-17(28)7-8-25(21(26)29)20-18(23-24-22)19(16(13-27)33-20)32-15-31-10-12-35(4,5)6/h7-8,16,18-20,27H,9-15H2,1-6H3/t16-,18-,19-,20-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C(Cl)(Cl)Cl)CSC5=NC=CN5C
InChI: InChI=1S/C32H32Cl3N3O4S/c1-20-27(19-43-31-36-15-16-38(31)2)41-29(42-28(20)23-9-7-21(18-39)8-10-23)24-13-11-22(12-14-24)26-6-4-3-5-25(26)17-37-30(40)32(33,34)35/h3-16,20,27-29,39H,17-19H2,1-2H3,(H,37,40)/t20-,27+,28+,29+/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H]([C@@H]([C@@]3(C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C)[C@H](O2)[C@@]4(CC[C@]1(O4)O)C
InChI: InChI=1S/C26H40O9/c1-12(2)18-19-20(17-11-13(3)26(30)10-9-24(7,35-26)22(19)33-17)25(8,34-16(6)29)23(32-15(5)28)21(18)31-14(4)27/h12-13,17-23,30H,9-11H2,1-8H3/t13-,17-,18+,19+,20+,21-,22-,23-,24-,25-,26+/m0/s1
SMILES: CCC=CC(=O)N(CC12CC3CC(C1)CC(C3)C2)[C@@H]4CC(=C[C@@H]([C@H]4O)OC5=CC=CC=C5I)C(=O)NCCO
InChI: InChI=1S/C31H41IN2O5/c1-2-3-8-28(36)34(19-31-16-20-11-21(17-31)13-22(12-20)18-31)25-14-23(30(38)33-9-10-35)15-27(29(25)37)39-26-7-5-4-6-24(26)32/h3-8,15,20-22,25,27,29,35,37H,2,9-14,16-19H2,1H3,(H,33,38)/t20?,21?,22?,25-,27+,29+,31?/m1/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C[N+]56CCN(CC5)CC6)CCCC
InChI: InChI=1S/C40H55N5O4S/c1-5-7-17-40(18-8-6-2)29-50(48,49)36-16-15-34(43(3)4)27-35(36)37(38(40)46)31-12-10-14-33(26-31)42-39(47)41-32-13-9-11-30(25-32)28-45-22-19-44(20-23-45)21-24-45/h9-16,25-27,37-38,46H,5-8,17-24,28-29H2,1-4H3,(H-,41,42,47)/p+1/t37-,38-/m1/s1
SMILES: CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)CP(=O)(OC)OC
InChI: InChI=1S/C19H29O8P/c1-12-5-6-18(10-25-16(21)9-28(22,23-3)24-4)14(7-12)27-15-8-13(20)17(18,2)19(15)11-26-19/h7,13-15,20H,5-6,8-11H2,1-4H3/t13-,14-,15-,17?,18-,19?/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(C6=CC=CC=C56)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C39H31Cl2F3N4O5/c1-2-15-47-34(50)26-12-11-25-27(31(26)36(47)52)17-28-35(51)48(46-33-29(41)16-20(18-45-33)39(42,43)44)37(53)38(28,19-7-9-21(40)10-8-19)32(25)24-13-14-30(49)23-6-4-3-5-22(23)24/h3-11,13-14,16,18,26-28,31-32,49H,2,12,15,17H2,1H3,(H,45,46)/t26-,27+,28-,31-,32-,38+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=NOC(=C3)C4=CC=CO4
InChI: InChI=1S/C19H21N3O6/c1-12-5-2-3-7-19(12)17(24)22(18(25)20-19)10-16(23)27-11-13-9-15(28-21-13)14-6-4-8-26-14/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,20,25)/t12-,19+/m1/s1
SMILES: CC(=CCCC(C)(C1CC[C@@]2(C1CCC3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)C)C)C)O)C
InChI: InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27?,28?,31?,32?,33-,36-,37+,38+,39?/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H](OCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CC=CC=N2)/Cl)/C)C)O
InChI: InChI=1S/C26H36ClNO6/c1-16-9-10-21(20(27)14-19-8-6-7-12-28-19)34-23(30)15-22(29)26(4,5)25(32)17(2)24(31)18(3)33-13-11-16/h6-9,12,14,17-18,21-22,24,29,31H,10-11,13,15H2,1-5H3/b16-9-,20-14-/t17-,18-,21+,22+,24+/m1/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3C)C4=CC=CO4
InChI: InChI=1S/C20H22N2O4/c1-3-4-11-21-19(23)16-17(15-10-7-12-25-15)22(26-18(16)20(21)24)14-9-6-5-8-13(14)2/h5-10,12,16-18H,3-4,11H2,1-2H3/t16-,17-,18+/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3C[C@H]3COC4=CC=CC=C4.Cl
InChI: InChI=1S/C22H26N2O3.ClH/c1-26-21-10-6-5-9-20(21)23-11-13-24(14-12-23)22(25)19-15-17(19)16-27-18-7-3-2-4-8-18;/h2-10,17,19H,11-16H2,1H3;1H/t17-,19+;/m0./s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC=C)OC(=O)C)O)OC(=O)C
InChI: InChI=1S/C13H20O7/c1-5-6-17-13-12(20-9(4)15)10(16)11(7(2)18-13)19-8(3)14/h5,7,10-13,16H,1,6H2,2-4H3/t7-,10+,11-,12+,13+/m0/s1
SMILES: CC1=C(C(=NN1CC2=C(C=CC(=C2)[C@H]3[C@@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)OC)C)[N+](=O)[O-]
InChI: InChI=1S/C26H25N7O3/c1-15-24(33(34)35)16(2)32(31-15)12-18-10-17(8-9-22(18)36-3)23-20-7-5-4-6-19(20)21(11-27)25(30)26(23,13-28)14-29/h6,8-10,20,23H,4-5,7,12,30H2,1-3H3/t20-,23+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@H](C)SC2=NN=C(S2)NC3=CC=CC=C3C
InChI: InChI=1S/C20H28N4OS2/c1-12-9-7-11-17(14(12)3)21-18(25)15(4)26-20-24-23-19(27-20)22-16-10-6-5-8-13(16)2/h5-6,8,10,12,14-15,17H,7,9,11H2,1-4H3,(H,21,25)(H,22,23)/t12-,14-,15-,17+/m0/s1
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O
InChI: InChI=1S/C21H34N5O18P3/c27-5-10-14(41-21-13(29)16(43-46(33,34)35)15(11(6-28)40-21)42-45(30,31)32)17(44-47(36,37)38)20(39-10)26-8-24-12-18(22-7-23-19(12)26)25-9-3-1-2-4-9/h7-11,13-17,20-21,27-29H,1-6H2,(H,22,23,25)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t10-,11-,13-,14-,15-,16-,17-,20-,21-/m1/s1
SMILES: C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25-,26+,27+,28-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@H](C=C([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)O
InChI: InChI=1S/C28H30O5/c29-17-24-16-25(30)27(32-19-22-12-6-2-7-13-22)28(33-20-23-14-8-3-9-15-23)26(24)31-18-21-10-4-1-5-11-21/h1-16,25-30H,17-20H2/t25-,26+,27-,28-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)Cl
InChI: InChI=1S/C22H19ClN2O4/c23-17-11-12(24-19(26)13-5-1-2-6-14(13)20(24)27)9-10-18(17)25-21(28)15-7-3-4-8-16(15)22(25)29/h1-4,9-11,13-16H,5-8H2/t13-,14+,15-,16+
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C=C5)O)C(=O)N(C4=O)CC6=CC=CS6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C32H26ClFN2O5S/c1-32-23(29(39)36(31(32)41)17-6-11-25(34)24(33)13-17)14-22-20(27(32)16-4-7-18(37)8-5-16)9-10-21-26(22)30(40)35(28(21)38)15-19-3-2-12-42-19/h2-9,11-13,21-23,26-27,37H,10,14-15H2,1H3/t21-,22+,23-,26-,27-,32+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N5CCCC5
InChI: InChI=1S/C22H29N5O2/c1-29-19-6-4-16(5-7-19)21-15-27(24-23-21)13-18-12-17-8-11-26(18)14-20(17)22(28)25-9-2-3-10-25/h4-7,15,17-18,20H,2-3,8-14H2,1H3/t17-,18-,20+/m1/s1
SMILES: CCCCCCCCCCC/C=C\[C@H]1[C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C32H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-30-31(34-30)27-33-35(32(2,3)4,28-22-17-15-18-23-28)29-24-19-16-20-25-29/h15-26,30-31H,5-14,27H2,1-4H3/b26-21-/t30-,31+/m0/s1
SMILES: COC1=C(C(=C(C=C1)[C@@H]2[C@]3([C@@]2(C4(N=C3N)OCCO4)C#N)C#N)OC)OC
InChI: InChI=1S/C18H18N4O5/c1-23-11-5-4-10(12(24-2)13(11)25-3)14-16(8-19)15(21)22-18(17(14,16)9-20)26-6-7-27-18/h4-5,14H,6-7H2,1-3H3,(H2,21,22)/t14-,16-,17-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)O)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C43H44O8Si/c1-43(2,3)52(34-25-15-7-16-26-34,35-27-17-8-18-28-35)48-30-36-37(50-40(44)32-21-11-5-12-22-32)38(47-29-31-19-9-4-10-20-31)39(42(46)49-36)51-41(45)33-23-13-6-14-24-33/h4-28,36-39,42,46H,29-30H2,1-3H3/t36-,37+,38+,39-,42+/m1/s1
SMILES: CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC5=NOC6=CC=CC=C65
InChI: InChI=1S/C24H28N4O/c1-26-14-15-28-21-11-13-27(16-19(21)17-7-4-9-22(26)24(17)28)12-5-8-20-18-6-2-3-10-23(18)29-25-20/h2-4,6-7,9-10,19,21H,5,8,11-16H2,1H3/t19-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]3[C@H]2CN(C3)C(=O)OC(C)(C)C)COS(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C27H36N2O7S2/c1-18-6-10-22(11-7-18)37(31,32)28-25-21(17-35-38(33,34)23-12-8-19(2)9-13-23)14-20-15-29(16-24(20)25)26(30)36-27(3,4)5/h6-13,20-21,24-25,28H,14-17H2,1-5H3/t20-,21+,24+,25+/m0/s1
SMILES: CC1=N[C@@H]([C@H](N1C(=O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H18N2O/c1-13-19-17(15-9-5-3-6-10-15)18(20(13)14(2)21)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3/t17-,18-/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C(=C(C=C3O)Cl)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl3N2O3/c19-8-4-5-11(12(20)6-8)16-10-3-1-2-9(10)15-17(22-16)14(24)7-13(21)18(15)23(25)26/h1-2,4-7,9-10,16,22,24H,3H2/t9-,10-,16+/m1/s1
SMILES: CCOC(=O)/C=C/C(=C\[C@H]1[C@H]([C@@H](C[C@H](O1)CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)/C
InChI: InChI=1S/C38H58O5Si2/c1-12-40-36(39)24-23-29(2)27-34-30(3)35(43-44(10,11)37(4,5)6)28-31(42-34)25-26-41-45(38(7,8)9,32-19-15-13-16-20-32)33-21-17-14-18-22-33/h13-24,27,30-31,34-35H,12,25-26,28H2,1-11H3/b24-23+,29-27-/t30-,31-,34+,35-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H25NO5/c28-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-32-22(29)12-13-27-25(30)23-19-10-11-20(14-19)24(23)26(27)31/h1-9,19-20,23-24H,10-15H2/t19-,20+,23-,24-/m0/s1
SMILES: CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]([C@H]1C2=CC=C(C=C2)OC)CO
InChI: InChI=1S/C23H35NO5/c1-14(2)11-16(12-19(26)29-23(3,4)5)22(27)24-21-18(13-25)20(21)15-7-9-17(28-6)10-8-15/h7-10,14,16,18,20-21,25H,11-13H2,1-6H3,(H,24,27)/t16-,18+,20-,21-/m1/s1
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H23NO3S/c1-12-8-9-14-17(10-12)26-20(18(14)21(24)25-2)22-19(23)16-11-15(16)13-6-4-3-5-7-13/h3-7,12,15-16H,8-11H2,1-2H3,(H,22,23)/t12-,15-,16+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2O)C3=CN(C4=CC=CC=C43)C(=O)C)CCCO
InChI: InChI=1S/C27H30N2O6/c1-3-34-27-19(10-8-14-30)20(21-16-29(17(2)31)23-12-6-4-9-18(21)23)15-25(35-27)26(33)28-22-11-5-7-13-24(22)32/h4-7,9,11-13,15-16,19-20,27,30,32H,3,8,10,14H2,1-2H3,(H,28,33)/t19-,20+,27-/m1/s1
SMILES: CC1=C[C@@H]([C@H]2[C@@H](C1)C(=O)C3=C(C2=O)C(=CC4=C3OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C42H40O15/c1-20-16-27-32(29(17-20)54-41-40(53-24(5)46)39(52-23(4)45)38(51-22(3)44)31(55-41)19-50-21(2)43)36(49)33-28(47)18-30-37(34(33)35(27)48)57-42(56-30,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-15,17-18,27,29,31-32,38-41,47H,16,19H2,1-5H3/t27-,29+,31-,32-,38-,39+,40-,41-/m1/s1
SMILES: CC1C[C@@H]2[C@H](CCN1)NC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC(=C4)F
InChI: InChI=1S/C19H21FN2O2S/c1-12-9-16-17-11-15(5-6-18(17)22-19(16)7-8-21-12)25(23,24)14-4-2-3-13(20)10-14/h2-6,10-12,16,19,21-22H,7-9H2,1H3/t12?,16-,19-/m0/s1
SMILES: CO[C@H]1C[C@H]([C@H]2[C@@H]([C@H]1O)O[C@H](O2)C(Cl)(Cl)Cl)O
InChI: InChI=1S/C9H13Cl3O5/c1-15-4-2-3(13)6-7(5(4)14)17-8(16-6)9(10,11)12/h3-8,13-14H,2H2,1H3/t3-,4+,5+,6+,7-,8+/m1/s1
SMILES: CCCC(=NCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@]1(C[C@@H]1CN2CC[C@@]3([C@@H]([C@H]2CC4=C3C=C(C=C4)O)C)C)C5=CC=CC=C5)N
InChI: InChI=1S/C39H57N5O3/c1-6-12-35(40)41-18-10-11-19-42-36(46)33(21-26(2)3)43-37(47)39(29-13-8-7-9-14-29)24-30(39)25-44-20-17-38(5)27(4)34(44)22-28-15-16-31(45)23-32(28)38/h7-9,13-16,23,26-27,30,33-34,45H,6,10-12,17-22,24-25H2,1-5H3,(H2,40,41)(H,42,46)(H,43,47)/t27-,30-,33+,34-,38-,39+/m1/s1
SMILES: C[C@H]1[C@H]2C[C@@H](C1(C)C)[C@@H](C2=O)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C14H23NO4S/c1-9-10-8-11(14(9,2)3)13(12(10)16)20(17,18)15-4-6-19-7-5-15/h9-11,13H,4-8H2,1-3H3/t9-,10+,11+,13-/m0/s1
SMILES: CC(C)[C@H](C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)NO
InChI: InChI=1S/C15H26N2O4S/c1-9(2)12(16-19)13(18)17-11-7-10-5-6-15(11,14(10,3)4)8-22(17,20)21/h9-12,16,19H,5-8H2,1-4H3/t10-,11-,12-,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CSC(=N4)NC(=O)OCC=C
InChI: InChI=1S/C27H29N5O9S/c1-5-12-39-25(35)30-24-28-18(14-42-24)17-10-11-19-20(29-26(36)41-27(2,3)4)22(33)31(19)21(17)23(34)40-13-15-6-8-16(9-7-15)32(37)38/h5-9,14,19-20H,1,10-13H2,2-4H3,(H,29,36)(H,28,30,35)/t19-,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](O[C@@H]([C@H]([C@@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)COC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C48H48O18/c1-28(49)56-26-36-38(59-29(2)50)40(60-30(3)51)43(61-31(4)52)48(63-36)66-39-37(27-57-44(53)33-19-11-6-12-20-33)62-47(58-25-32-17-9-5-10-18-32)42(65-46(55)35-23-15-8-16-24-35)41(39)64-45(54)34-21-13-7-14-22-34/h5-24,36-43,47-48H,25-27H2,1-4H3/t36-,37-,38+,39-,40+,41-,42+,43-,47+,48+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H](C=C1C(=O)N[C@H](CC(=O)O)C(=O)N)OC2=CC3=C(C=C2)OCO3)O)O
InChI: InChI=1S/C18H20N2O9/c19-17(25)10(6-15(22)23)20-18(26)8-3-11(21)16(24)14(4-8)29-9-1-2-12-13(5-9)28-7-27-12/h1-2,4-5,10-11,14,16,21,24H,3,6-7H2,(H2,19,25)(H,20,26)(H,22,23)/t10-,11-,14-,16-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C9=CC=CC=C95)CO)O
InChI: InChI=1S/C37H29N5O4/c43-18-29-28(44)17-30(46-29)42-20-38-34-35(42)40-37(41-36(34)45-19-21-7-2-1-3-8-21)39-33-26-12-5-4-11-24(26)25-15-13-22-9-6-10-23-14-16-27(33)32(25)31(22)23/h1-16,20,28-30,43-44H,17-19H2,(H,39,40,41)/t28-,29+,30+/m0/s1
SMILES: C[C@@H]1C(=C)C[C@H]2[C@H]3[C@@H](O3)CC(=O)/C=C/[C@H](OC(=O)C[C@@]1(O2)O)[C@H](C)C(=C)C
InChI: InChI=1S/C21H28O6/c1-11(2)13(4)16-7-6-15(22)9-17-20(26-17)18-8-12(3)14(5)21(24,27-18)10-19(23)25-16/h6-7,13-14,16-18,20,24H,1,3,8-10H2,2,4-5H3/b7-6+/t13-,14-,16+,17+,18+,20-,21+/m1/s1
SMILES: CCCCCCCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@H]([C@H]([C@H](O4)CN)O)OS(=O)(=O)O)C)OC(=O)CC(C)CC(=O)O
InChI: InChI=1S/C44H71N5O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(65-30(53)20-24(2)19-29(51)52)21-31(54)66-27-23-47(3)33(40(58)48(4)32(27)42(59)60)37(69-43-39(70-71(62,63)64)34(55)26(22-45)67-43)38-35(56)36(57)41(68-38)49-18-17-28(50)46-44(49)61/h17-18,24-27,32-39,41,43,55-57H,5-16,19-23,45H2,1-4H3,(H,51,52)(H,59,60)(H,46,50,61)(H,62,63,64)/t24?,25?,26-,27?,32?,33?,34+,35+,36-,37?,38+,39+,41-,43+/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@@H](NC(=S)N2C3=CC=CC=C3)CC[C@@H](C4=CC=C(C=C4)F)O)O
InChI: InChI=1S/C25H25FN2O3S/c1-31-19-11-12-20(23(30)15-19)24-21(13-14-22(29)16-7-9-17(26)10-8-16)27-25(32)28(24)18-5-3-2-4-6-18/h2-12,15,21-22,24,29-30H,13-14H2,1H3,(H,27,32)/t21-,22-,24+/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H]2[C@H](C2(C)C)[C@H]([C@@H](C(=O)[C@@]34C[C@H](C(=O)[C@@]3(O4)/C=C(/[C@H]1OC(=O)C)\C)C)C)OC(=O)C
InChI: InChI=1S/C29H38O9/c1-10-13(2)26(34)37-23-20-19(27(20,8)9)22(36-18(7)31)16(5)25(33)29-12-15(4)24(32)28(29,38-29)11-14(3)21(23)35-17(6)30/h10-11,15-16,19-23H,12H2,1-9H3/b13-10-,14-11+/t15-,16+,19+,20-,21-,22+,23+,28+,29+/m1/s1
SMILES: C1C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)[O-]
InChI: InChI=1S/C18H21ClN2O4/c19-11-3-1-2-4-12(11)20-7-9-21(10-8-20)17(22)15-13-5-6-14(25-13)16(15)18(23)24/h1-4,13-16H,5-10H2,(H,23,24)/p-1/t13-,14+,15+,16-/m1/s1
SMILES: C1C[C@@H]2CN(C[C@@H]2[C@@H](C1)N)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=CC=C(C=C5)O)C(=O)O)F
InChI: InChI=1S/C23H23FN4O4/c24-18-8-15-20(30)17(23(31)32)11-28(13-4-6-14(29)7-5-13)21(15)26-22(18)27-9-12-2-1-3-19(25)16(12)10-27/h4-8,11-12,16,19,29H,1-3,9-10,25H2,(H,31,32)/t12-,16+,19-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(O5)C6=C(C=CC(=C6)Cl)Cl
InChI: InChI=1S/C28H20Cl2N2O4/c1-16-6-5-9-19(14-16)31-27(33)24-25(32(36-26(24)28(31)34)18-7-3-2-4-8-18)23-13-12-22(35-23)20-15-17(29)10-11-21(20)30/h2-15,24-26H,1H3/t24-,25-,26+/m1/s1
SMILES: C1[C@@H]([C@H]1NCCNC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5
InChI: InChI=1S/C21H30N2/c1-2-4-18(5-3-1)19-11-20(19)22-6-7-23-21-12-15-8-16(13-21)10-17(9-15)14-21/h1-5,15-17,19-20,22-23H,6-14H2/t15?,16?,17?,19-,20+,21?/m1/s1
SMILES: C[C@@H]1[C@H]2CC3=C([C@]1(CCCN2CC4CC4)C)C=C(C=C3)O
InChI: InChI=1S/C19H27NO/c1-13-18-10-15-6-7-16(21)11-17(15)19(13,2)8-3-9-20(18)12-14-4-5-14/h6-7,11,13-14,18,21H,3-5,8-10,12H2,1-2H3/t13-,18-,19+/m1/s1
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C21H25NO3/c23-20(18-16-6-7-17(13-16)19(18)21(24)25)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,15-19H,8-13H2,(H,24,25)/p-1/t16-,17+,18+,19+/m1/s1
SMILES: CC1=CC[C@@H]([C@]([C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(C)C=O)O
InChI: InChI=1S/C26H34O3Si/c1-20-16-17-24(28)26(5,19-27)23(20)18-29-30(25(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16,19,23-24,28H,17-18H2,1-5H3/t23-,24-,26+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC=CC4=C3N=CC=C4
InChI: InChI=1S/C21H24N2O3/c24-19(23-13-5-9-15-6-1-2-11-18(15)23)14-26-21(25)17-10-3-7-16-8-4-12-22-20(16)17/h3-4,7-8,10,12,15,18H,1-2,5-6,9,11,13-14H2/t15-,18+/m1/s1
SMILES: COC([C@@H]1[C@H](N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H23NO2/c1-27-23(20-15-9-4-10-16-20)21-22(19-13-7-3-8-14-19)25(24(21)26)17-18-11-5-2-6-12-18/h2-16,21-23H,17H2,1H3/t21-,22+,23?/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@@H](N[C@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCC(=O)O
InChI: InChI=1S/C20H22ClN3O5/c1-19(2,3)24-16(27)13-11(7-8-12(25)26)23-20(14(13)17(24)28)9-5-4-6-10(21)15(9)22-18(20)29/h4-6,11,13-14,23H,7-8H2,1-3H3,(H,22,29)(H,25,26)/t11-,13+,14-,20-/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CC(C)C)C(=O)[O-])C
InChI: InChI=1S/C23H28N2O3S/c1-13(2)9-16-5-7-17(8-6-16)20-12-29-23(24-20)25-21(26)18-10-14(3)15(4)11-19(18)22(27)28/h5-8,12-13,18-19H,9-11H2,1-4H3,(H,27,28)(H,24,25,26)/p-1/t18-,19-/m0/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@@]([C@@H]2CC4=C3N(C5=C4C=CC=C5OC)C)(CO)C(=O)OC
InChI: InChI=1S/C23H28N2O4/c1-5-13-11-25-17-10-16(13)23(12-26,22(27)29-4)19(25)9-15-14-7-6-8-18(28-3)21(14)24(2)20(15)17/h5-8,16-17,19,26H,9-12H2,1-4H3/b13-5-/t16-,17-,19-,23+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OS(=O)(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C17H26O3S/c1-12(2)16-10-7-14(4)11-17(16)20-21(18,19)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16-,17+/m1/s1
SMILES: C1CSC2(S1)[C@@H]3[C@@H]4C[C@@H]5[C@H]3C(=O)[C@]67[C@@H]5[C@@H]4[C@]26C=CC=C7
InChI: InChI=1S/C17H16OS2/c18-14-10-8-7-9-11(10)17(19-5-6-20-17)16-4-2-1-3-15(14,16)12(8)13(9)16/h1-4,8-13H,5-7H2/t8-,9+,10-,11-,12+,13-,15+,16+/m1/s1
SMILES: C[C@@H]1[C@H](OC2([C@]1(C=C(C[C@@H]2OC)CC=C)OC)O)C3=CC(=C(C=C3)O)OC
InChI: InChI=1S/C21H28O6/c1-6-7-14-10-18(25-4)21(23)20(12-14,26-5)13(2)19(27-21)15-8-9-16(22)17(11-15)24-3/h6,8-9,11-13,18-19,22-23H,1,7,10H2,2-5H3/t13-,18+,19+,20-,21?/m1/s1