EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C22H30N4O3/c1-16-7-5-6-12-22(16)20(28)26(21(29)24-22)15-25-13-10-17(11-14-25)19(27)23-18-8-3-2-4-9-18/h2-4,8-9,16-17H,5-7,10-15H2,1H3,(H,23,27)(H,24,29)/p+1/t16-,22-/m0/s1
SMILES: CC(CC(/C=C(/C)\[C@H]1C[C@H]([C@@]2([C@@]1(C(=O)C=C3[C@]24[C@H](O4)CC([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)O)C(=O)O
InChI: InChI=1S/C30H42O8/c1-15(2)19-13-24-30(38-24)21(27(19,5)9-8-25(34)35)14-22(32)28(6)20(12-23(33)29(28,30)7)16(3)10-18(31)11-17(4)26(36)37/h10,14,17-20,23-24,31,33H,1,8-9,11-13H2,2-7H3,(H,34,35)(H,36,37)/b16-10-/t17?,18?,19?,20-,23-,24-,27+,28+,29-,30+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C([C@H](C(=O)O1)C)OC4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(OC/C=C\CN3C(=O)O2)C)C)C)C
InChI: InChI=1S/C42H70N2O13/c1-14-29-42(10)34-24(4)31(45)22(2)20-41(9,51-18-16-15-17-44(34)39(49)57-42)36(56-38-32(46)28(43(11)12)19-23(3)52-38)25(5)33(26(6)37(48)54-29)55-30-21-40(8,50-13)35(47)27(7)53-30/h15-16,22-30,32-36,38,46-47H,14,17-21H2,1-13H3/b16-15-/t22-,23-,24+,25+,26-,27+,28+,29-,30?,32-,33?,34-,35+,36-,38?,40-,41+,42-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)CO)C
InChI: InChI=1S/C46H71N3O4/c1-4-6-8-10-12-14-24-49(25-15-13-11-9-7-5-2)32-42-34(3)43(39-18-16-35(33-50)17-19-39)53-44(52-42)40-20-22-41(23-21-40)47-45(51)48-46-29-36-26-37(30-46)28-38(27-36)31-46/h16-23,34,36-38,42-44,50H,4-15,24-33H2,1-3H3,(H2,47,48,51)/t34-,36?,37?,38?,42+,43+,44+,46?/m1/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1CC4=CC=C(C=C4)F)C(=O)[O-]
InChI: InChI=1S/C16H14FNO4/c17-10-3-1-9(2-4-10)7-18-8-16-6-5-11(22-16)12(15(20)21)13(16)14(18)19/h1-6,11-13H,7-8H2,(H,20,21)/p-1/t11-,12+,13-,16-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=C[N+]2=CC3=CC=C(C=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4
InChI: InChI=1S/C23H18N2O4/c26-21-16-24(15-17-11-13-20(14-12-17)25(27)28)22(18-7-3-1-4-8-18)23(29-21)19-9-5-2-6-10-19/h1-16,22-23H/t22-,23+/m0/s1
SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C31H23NO3/c1-18-7-6-8-21(17-18)35-20-15-13-19(14-16-20)32-30(33)28-26-22-9-2-3-10-23(22)27(29(28)31(32)34)25-12-5-4-11-24(25)26/h2-17,26-29H,1H3/t26?,27?,28-,29-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)O[C@H]2C[C@](C(C3=C2C(=C4C(=C3O)C(=O)C5=C6C(=CC(=C5C4=O)O)C7(C(C(C(C(O6)O7)O)N(C)C)O)C)O)C(=O)CO)(C)O)OC)OC)OC
InChI: InChI=1S/C38H47NO17/c1-12-30(50-6)32(51-7)33(52-8)36(53-12)54-16-10-37(2,49)23(15(42)11-40)19-18(16)26(44)20-21(27(19)45)28(46)22-17(25(20)43)14(41)9-13-31(22)55-35-29(47)24(39(4)5)34(48)38(13,3)56-35/h9,12,16,23-24,29-30,32-36,40-41,44-45,47-49H,10-11H2,1-8H3/t12-,16-,23?,24?,29?,30-,32+,33+,34?,35?,36?,37-,38?/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2=CC=CC=C2N)C(C)C)CCOCCOCCO
InChI: InChI=1S/C23H36N2O6/c1-4-30-23-17(9-11-28-13-14-29-12-10-26)18(16(2)3)15-21(31-23)22(27)25-20-8-6-5-7-19(20)24/h5-8,15-18,23,26H,4,9-14,24H2,1-3H3,(H,25,27)/t17-,18+,23+/m1/s1
SMILES: C[NH+](C)CC1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4=CC=CO4
InChI: InChI=1S/C16H21N5O4/c1-20(2)6-10-7-21(19-18-10)12-9-25-14-11(8-24-15(12)14)17-16(22)13-4-3-5-23-13/h3-5,7,11-12,14-15H,6,8-9H2,1-2H3,(H,17,22)/p+1/t11-,12-,14+,15+/m0/s1
SMILES: C1CC[N+]2(CC1)[C@H]3COC(O[C@H]3[C@H]4[C@@H]2COC(O4)C5=CC=CC=C5)C6=CC=CC=C6.[Br-]
InChI: InChI=1S/C25H30NO4.BrH/c1-4-10-18(11-5-1)24-27-16-20-22(29-24)23-21(26(20)14-8-3-9-15-26)17-28-25(30-23)19-12-6-2-7-13-19;/h1-2,4-7,10-13,20-25H,3,8-9,14-17H2;1H/q+1;/p-1/t20-,21-,22+,23+,24?,25?;/m0./s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCC=C)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C50H46O15/c1-3-29-57-49-38(51)41(63-46(54)34-23-13-6-14-24-34)40(62-45(53)33-21-11-5-12-22-33)37(60-49)30-58-50-43(65-48(56)36-27-17-8-18-28-36)42(64-47(55)35-25-15-7-16-26-35)39(31(2)59-50)61-44(52)32-19-9-4-10-20-32/h3-28,31,37-43,49-51H,1,29-30H2,2H3/t31-,37+,38+,39-,40+,41+,42+,43+,49-,50+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC
InChI: InChI=1S/C21H30N2O5S/c1-15-7-3-5-9-18(15)22-20(24)16-11-13-23(14-12-16)29(26,27)19-10-6-4-8-17(19)21(25)28-2/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3,(H,22,24)/t15-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]([Si]1(C(C)(C)C)C(C)(C)C)[C@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C24H52OSi2/c1-16(2)26(17(3)4,18(5)6)25-20(8)19(7)22-21(9)27(22,23(10,11)12)24(13,14)15/h16-22H,1-15H3/t19-,20-,21-,22+/m1/s1
SMILES: C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]([C@@H]2C(=O)O)[C@]3(CCCC[C@H]3C(=O)O)C)C
InChI: InChI=1S/C24H38O6/c1-14(7-10-19(25)26)15-8-9-16-20(22(29)30)17(11-13-24(15,16)3)23(2)12-5-4-6-18(23)21(27)28/h14-18,20H,4-13H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t14-,15+,16-,17-,18-,20+,23+,24+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NN=C(N)N)O)O)O)O.[N+](=O)(O)[O-]
InChI: InChI=1S/C7H16N4O5.HNO3/c8-7(9)11-10-6-5(15)4(14)3(13)2(1-12)16-6;2-1(3)4/h2-6,10,12-15H,1H2,(H4,8,9,11);(H,2,3,4)/t2-,3-,4+,5-,6-;/m1./s1
SMILES: [C@H]1([C@@H]([C@@H]2[C@H]3[C@@H]([C@H]1O2)O3)C(=O)O)C(=O)O
InChI: InChI=1S/C8H8O6/c9-7(10)1-2(8(11)12)4-6-5(14-6)3(1)13-4/h1-6H,(H,9,10)(H,11,12)/t1-,2+,3+,4-,5-,6+
SMILES: C[C@@H]1[C@@H]2C=C[C@@H](N2C(=O)OC)[C@@](C1=O)(C)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H19NO4/c1-11-13-9-10-14(19(13)17(22)23-3)18(2,15(11)20)16(21)12-7-5-4-6-8-12/h4-11,13-14H,1-3H3/t11-,13+,14-,18-/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC=C(C=C5)C=CCC6=CC=CC=C6O)C(=O)NCCO)OC7(O3)CC8=CC=CC=C8C7
InChI: InChI=1S/C36H36N2O8/c39-17-16-37-34(42)36-20-28-29-30(45-35(44-29)18-25-8-1-2-9-26(25)19-35)32(36)46-38(31(36)33(41)43-28)21-23-14-12-22(13-15-23)6-5-10-24-7-3-4-11-27(24)40/h1-9,11-15,28-32,39-40H,10,16-21H2,(H,37,42)/t28-,29+,30+,31+,32-,36+/m1/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2C(=O)C[C@]4([C@H]3CC[C@]4(C(=O)COC(=O)CCC(=O)NCC5=CC=CO5)O)C
InChI: InChI=1S/C30H37NO8/c1-28-11-9-19(32)14-18(28)5-6-21-22-10-12-30(37,29(22,2)15-23(33)27(21)28)24(34)17-39-26(36)8-7-25(35)31-16-20-4-3-13-38-20/h3-4,13-14,21-22,27,37H,5-12,15-17H2,1-2H3,(H,31,35)/t21-,22+,27+,28-,29+,30-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=CC(=C3)OC)OC
InChI: InChI=1S/C19H25N3O5/c1-12-6-4-5-7-19(12)17(24)22(18(25)21-19)11-16(23)20-13-8-14(26-2)10-15(9-13)27-3/h8-10,12H,4-7,11H2,1-3H3,(H,20,23)(H,21,25)/t12-,19-/m0/s1
SMILES: CO[C@H]1[C@H](C[C@H]2CN3CCC4=C([C@@H]3C[C@H]2[C@@H]1C(=O)O)NC5=C4C=CC(=C5)OC)O
InChI: InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19-,21-/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C2=C(C(=O)C3=CCC[C@@H]([C@@]13C)C)OC=C2C
InChI: InChI=1S/C20H24O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,9-10,13,18H,7-8H2,1-5H3/b11-6-/t13-,18-,20+/m0/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H25N3O5S/c1-28-15-6-8-16(9-7-15)29(26,27)22-12-10-21(11-13-22)14-23-19(24)17-4-2-3-5-18(17)20(23)25/h2-3,6-9,17-18H,4-5,10-14H2,1H3/t17-,18-/m0/s1
SMILES: COC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=N3)CC4=CC=C(C=C4)Cl)OC
InChI: InChI=1S/C19H17ClN4O4/c1-27-14-8-7-13(9-15(14)28-2)24-18(25)16-17(19(24)26)23(22-21-16)10-11-3-5-12(20)6-4-11/h3-9,16-17H,10H2,1-2H3/t16-,17-/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)SC(=N)N2C3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C11H10Cl2N2O2S2/c12-6-1-7(13)3-8(2-6)15-9-4-19(16,17)5-10(9)18-11(15)14/h1-3,9-10,14H,4-5H2/t9-,10+/m0/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24+,25+,27+,28+,29-/m1/s1
SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=S)(O)O)O)O
InChI: InChI=1S/C6H13O8PS/c7-1-2(8)4(10)6(5(11)3(1)9)14-15(12,13)16/h1-11H,(H2,12,13,16)/t1?,2-,3+,4-,5-,6?/m0/s1
SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=O)[C@H](C4[C@H](O3)CCC5(O4)CC[C@@H](O5)/C=C/[C@@H](C)C6CC(=CC7(O6)[C@@H](CCC(O7)C[C@](C)(C(=O)O)O)O)C)O)O
InChI: InChI=1S/C43H66O14/c1-24-20-32(55-43(22-24)33(45)11-10-29(54-43)23-40(5,50)39(48)49)25(2)8-9-28-13-17-42(53-28)18-14-31-38(57-42)35(47)34(46)37(52-31)30(44)21-27(4)36-26(3)12-16-41(56-36)15-6-7-19-51-41/h8-9,22,25-33,35-38,44-45,47,50H,6-7,10-21,23H2,1-5H3,(H,48,49)/b9-8+/t25-,26-,27+,28+,29?,30+,31-,32?,33-,35-,36+,37-,38?,40-,41+,42?,43?/m1/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3
InChI: InChI=1S/C21H22N4S/c1-20(2,3)13-6-7-14-15(9-13)18(17-5-4-8-26-17)21(11-23,12-24)19(25)16(14)10-22/h4-5,7-8,13,15,18H,6,9,25H2,1-3H3/t13-,15-,18-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3C(=O)C4=CC=CC=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C25H20ClNO/c26-18-14-21-19-12-7-13-20(19)23(16-8-3-1-4-9-16)27-24(21)22(15-18)25(28)17-10-5-2-6-11-17/h1-12,14-15,19-20,23,27H,13H2/t19-,20+,23+/m0/s1
SMILES: C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)/COP(=O)(O)O
InChI: InChI=1S/C15H23N5O11P2/c1-8(4-29-32(23,24)25)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(31-15)5-30-33(26,27)28/h2,6-7,9,11-12,15,21-22H,3-5H2,1H3,(H,16,17,18)(H2,23,24,25)(H2,26,27,28)/b8-2+/t9-,11-,12-,15-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=CC3=C2NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H35NO10/c1-19(37)42-18-28-33(43-20(2)38)35(45-22(4)40)34(44-21(3)39)32(46-28)27-17-25(41-5)16-26-29(23-12-8-6-9-13-23)30(36-31(26)27)24-14-10-7-11-15-24/h6-17,28,32-36H,18H2,1-5H3/t28-,32+,33-,34+,35+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1S(=O)(=O)C(CC3=CC=CC=C3)CNC(=O)OC(C)(C)C
InChI: InChI=1S/C28H45N3O5S/c1-27(2,3)30-25(32)24-17-21-14-10-11-15-22(21)19-31(24)37(34,35)23(16-20-12-8-7-9-13-20)18-29-26(33)36-28(4,5)6/h7-9,12-13,21-24H,10-11,14-19H2,1-6H3,(H,29,33)(H,30,32)/t21-,22+,23?,24-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H](OCC[C@@]2(C(O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=COC(=N3)C)/F)C)C)O
InChI: InChI=1S/C25H36FNO8/c1-13-22(30)14(2)32-8-7-25(6)20(35-25)10-18(17(26)9-16-12-33-15(3)27-16)34-21(29)11-19(28)24(4,5)23(13)31/h9,12-14,18-20,22,28,30H,7-8,10-11H2,1-6H3/b17-9-/t13-,14-,18+,19+,20?,22+,25-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C(=O)[C@]89CC[C@](C8(C)C)(C(=O)O9)C)O)C(=C5)C(=O)C1=CC=CC=C1C1=CC=CC=C1)O)C
InChI: InChI=1S/C56H61NO6/c1-49(2)52(5)28-31-56(49,63-48(52)61)47(60)57(34-38-18-13-17-36-16-9-10-19-40(36)38)35-54(62)27-24-45-51(54,4)26-23-44-50(3)25-22-39(58)32-53(50)29-30-55(44,45)43(33-53)46(59)42-21-12-11-20-41(42)37-14-7-6-8-15-37/h6-21,29-30,33,39,44-45,58,62H,22-28,31-32,34-35H2,1-5H3/t39?,44-,45-,50-,51+,52+,53+,54-,55-,56-/m1/s1
SMILES: C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O)O)O.O.O
InChI: InChI=1S/C11H22O11.2H2O/c12-1-3(14)5(16)9(4(15)2-13)21-11-8(19)6(17)7(18)10(20)22-11;;/h3-20H,1-2H2;2*1H2/t3-,4+,5+,6-,7+,8+,9+,10-,11+;;/m0../s1
SMILES: CCOP(=O)(C(=O)[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCC
InChI: InChI=1S/C27H50N3O9PSi2/c1-14-35-40(34,36-15-2)24(32)22-20(38-41(10,11)26(4,5)6)21(39-42(12,13)27(7,8)9)23(37-22)30-17-16-19(28-18(3)31)29-25(30)33/h16-17,20-23H,14-15H2,1-13H3,(H,28,29,31,33)/t20-,21-,22-,23+/m0/s1
SMILES: C[C@@H]\1[C@H](N[C@@H](C/C1=N\O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H24N2O3/c1-13-18(22-23)12-19(14-4-8-16(24-2)9-5-14)21-20(13)15-6-10-17(25-3)11-7-15/h4-11,13,19-21,23H,12H2,1-3H3/b22-18+/t13-,19-,20-/m0/s1
SMILES: CCOP(=O)(CN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C(C)C)OC3=NC(=NC=C3C)O[C@@H]4C[C@H](O[C@@H]4CO[Si](C)(C)C(C)(C)C(C)C)N=[N+]=[N-])C)OCC
InChI: InChI=1S/C41H72N7O11PSi2/c1-17-52-60(51,53-18-2)25-48-37(49)29(8)22-47(39(48)50)35-20-31(33(57-35)24-55-62(15,16)41(11,12)27(5)6)58-36-28(7)21-43-38(44-36)59-30-19-34(45-46-42)56-32(30)23-54-61(13,14)40(9,10)26(3)4/h21-22,26-27,30-35H,17-20,23-25H2,1-16H3/t30-,31+,32-,33-,34+,35-/m1/s1
SMILES: CC1=CC(=CC2=C1NC(=O)[C@@]23[C@H]4[C@H]([C@@H]5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)Br)Cl
InChI: InChI=1S/C23H19BrClN3O3/c1-11-9-13(25)10-15-19(11)26-22(31)23(15)18-17(16-3-2-8-27(16)23)20(29)28(21(18)30)14-6-4-12(24)5-7-14/h4-7,9-10,16-18H,2-3,8H2,1H3,(H,26,31)/t16-,17+,18+,23+/m1/s1
SMILES: COC1=C(C=C(C=C1)C[C@@H]2COC[C@H]2[C@@H](C3=CC4=C(C=C3)OCO4)O)OC
InChI: InChI=1S/C21H24O6/c1-23-17-5-3-13(8-19(17)24-2)7-15-10-25-11-16(15)21(22)14-4-6-18-20(9-14)27-12-26-18/h3-6,8-9,15-16,21-22H,7,10-12H2,1-2H3/t15-,16-,21-/m1/s1
SMILES: CC(=O)N1CCC(CC1)C(=O)N2CC[C@H]3[C@H]2C(=O)N4C[C@H](C[C@@H]4C(=O)N3)NC(=O)COC
InChI: InChI=1S/C21H31N5O6/c1-12(27)24-6-3-13(4-7-24)20(30)25-8-5-15-18(25)21(31)26-10-14(22-17(28)11-32-2)9-16(26)19(29)23-15/h13-16,18H,3-11H2,1-2H3,(H,22,28)(H,23,29)/t14-,15-,16+,18-/m0/s1
SMILES: C1CN(CCN1CC(CO[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O[N+](=O)[O-])O)C4=NC=CC=N4
InChI: InChI=1S/C17H25N5O7/c23-12(8-20-4-6-21(7-5-20)17-18-2-1-3-19-17)9-26-13-10-27-16-14(29-22(24)25)11-28-15(13)16/h1-3,12-16,23H,4-11H2/t12?,13-,14+,15+,16+/m0/s1
SMILES: CC1=CC=C(C=C1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H27NO9/c1-11-6-8-16(9-7-11)22-21-20(30-15(5)26)19(29-14(4)25)18(28-13(3)24)17(31-21)10-27-12(2)23/h6-9,17-22H,10H2,1-5H3/t17-,18-,19+,20-,21-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H19FN2O3/c1-15-7-9-16(10-8-15)21-20-22(30-27(21)19-5-3-2-4-6-19)24(29)26(23(20)28)18-13-11-17(25)12-14-18/h2-14,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=C(C(=CC=C2)Cl)Cl
InChI: InChI=1S/C15H16Cl2N2O3/c1-3-7-22-14(20)11-8(2)18-15(21)19-13(11)9-5-4-6-10(16)12(9)17/h4-6,11,13H,2-3,7H2,1H3,(H2,18,19,21)/t11-,13+/m0/s1
SMILES: C[C@@]1([C@@H]2[C@]1(C(=O)OC3=CC=CC=C23)C(=O)NCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H20ClNO4/c1-25(22(29)17-11-13-18(27)14-12-17)21-19-9-5-6-10-20(19)32-24(31)26(21,25)23(30)28-15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,28,30)/t21-,25-,26-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2OCC3=CC=C(C=C3)OC)S(=O)C4=C(C=CC=C4Cl)Cl)C)OCC5=CC=C(C=C5)OC)O[C@H]6CCC(=O)[C@@H](O6)C
InChI: InChI=1S/C40H48Cl2O11S/c1-23-32(43)17-18-35(49-23)52-38-24(2)50-36(19-33(38)47-21-26-9-13-28(45-4)14-10-26)53-39-25(3)51-37(54(44)40-30(41)7-6-8-31(40)42)20-34(39)48-22-27-11-15-29(46-5)16-12-27/h6-16,23-25,33-39H,17-22H2,1-5H3/t23-,24-,25-,33-,34-,35-,36-,37-,38+,39+,54?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=CS3
InChI: InChI=1S/C16H21N5O2S2/c1-10-5-2-3-6-11(10)17-15(23)18-13(22)9-25-16-19-14(20-21-16)12-7-4-8-24-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,20,21)(H2,17,18,22,23)/t10-,11-/m1/s1
SMILES: CCOC(=O)CC1(C[C@H]2[C@@H](CCC(=C2C1=O)C)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C16H21NO7/c1-4-24-12(18)8-16(15(20)23-3)7-10-11(17(21)22)6-5-9(2)13(10)14(16)19/h10-11H,4-8H2,1-3H3/t10-,11+,16?/m0/s1
SMILES: CC(=O)N1[C@@H]([C@H]([C@H]([C@@H]1N2C(=CC(=O)NC2=O)C(=O)N)O)O)CO
InChI: InChI=1S/C12H16N4O7/c1-4(18)15-6(3-17)8(20)9(21)11(15)16-5(10(13)22)2-7(19)14-12(16)23/h2,6,8-9,11,17,20-21H,3H2,1H3,(H2,13,22)(H,14,19,23)/t6-,8-,9-,11+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@]([C@H]([C@H]([C@H](C2(C)C)O)OC(=O)C3=CC=CC=C3)O)([C@@H]4[C@@]1(C(=O)[C@@](CC4=O)(C)C=C)O)C
InChI: InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(37-15(2)30)29(21,36)25(27)35)26(3,4)22(32)20(23(28)33)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](O1)C(=O)N[C@H](COCC2=CC=CC=C2)C(=O)NCCC(C)C
InChI: InChI=1S/C21H30N2O6/c1-4-28-21(26)18-17(29-18)20(25)23-16(19(24)22-11-10-14(2)3)13-27-12-15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3,(H,22,24)(H,23,25)/t16-,17-,18-/m1/s1
SMILES: CCCC1=CC(=C(S1)NC(=O)[C@@H]2CC(=C(C[C@H]2C(=O)O)C)C)C(=O)OC
InChI: InChI=1S/C19H25NO5S/c1-5-6-12-9-15(19(24)25-4)17(26-12)20-16(21)13-7-10(2)11(3)8-14(13)18(22)23/h9,13-14H,5-8H2,1-4H3,(H,20,21)(H,22,23)/t13-,14-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21?,23-,24+,25+,26+,27+,28+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2CC[C@H]3CC=CC[C@@]3(C2)O
InChI: InChI=1S/C19H33NO2/c1-14-7-8-16(17(21)12-14)18(2,3)20-11-9-15-6-4-5-10-19(15,22)13-20/h4-5,14-17,21-22H,6-13H2,1-3H3/t14-,15-,16-,17-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H24N4O/c1-16-8-5-6-12-20(16)24-22(27)19-15-26(18-10-3-2-4-11-18)25-21(19)17-9-7-13-23-14-17/h2-4,7,9-11,13-16,20H,5-6,8,12H2,1H3,(H,24,27)/t16-,20+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@@](=O)[C@@H]2[C@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C15H14O2S/c1-11-7-9-13(10-8-11)18(16)15-14(17-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3/t14-,15-,18-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3C[C@H]([C@]4([C@H]([C@@]3(CCC2C1(C)C)C)CCC5=C4C(=O)OC5)C)O)C
InChI: InChI=1S/C27H40O5/c1-15(28)32-21-10-12-25(4)17(24(21,2)3)9-11-26(5)18-8-7-16-14-31-23(30)22(16)27(18,6)20(29)13-19(25)26/h17-21,29H,7-14H2,1-6H3/t17?,18-,19+,20+,21-,25-,26-,27+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O)CO
InChI: InChI=1S/C18H40O4Si2/c1-17(2,3)23(7,8)21-15-13(12-19)11-14(20)16(15)22-24(9,10)18(4,5)6/h13-16,19-20H,11-12H2,1-10H3/t13-,14-,15-,16+/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C[NH3+])C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C19H26N6O/c20-9-16-11-25(23-22-16)12-17-8-15-6-7-24(17)13-18(15)19(26)21-10-14-4-2-1-3-5-14/h1-5,11,15,17-18H,6-10,12-13,20H2,(H,21,26)/p+2/t15-,17-,18+/m1/s1
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)CCC2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
InChI: InChI=1S/C36H32O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-4,6-9,11-12,15,27-28,31-32,37-43H,5,10,13-14H2,(H,45,46)(H,47,48)/t27-,28+,31+,32-/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C(=O)CCl)C)O
InChI: InChI=1S/C21H29ClO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,6,14-17,23H,4-5,7-12H2,1-2H3/t14-,15-,16-,17-,20-,21-/m0/s1
SMILES: C[C@@]1([C@H]([C@@H]2C[C@]1(CC2=O)O)[C@@H]3COC(O3)(C)C)COCC4=CC=CC=C4
InChI: InChI=1S/C21H28O5/c1-19(2)25-12-17(26-19)18-15-9-21(23,10-16(15)22)20(18,3)13-24-11-14-7-5-4-6-8-14/h4-8,15,17-18,23H,9-13H2,1-3H3/t15-,17+,18-,20+,21-/m1/s1
SMILES: COC1=CC=CC(=C1)CN2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)[C@@H]4CCCO4
InChI: InChI=1S/C18H22N2O5S2/c1-24-13-5-2-4-12(8-13)9-20-14-10-27(22,23)11-16(14)26-18(20)19-17(21)15-6-3-7-25-15/h2,4-5,8,14-16H,3,6-7,9-11H2,1H3/t14-,15-,16+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@H](C1(C)C)C(=O)[O-])C2=C(C=C(C=C2)C)C
InChI: InChI=1S/C17H24O2/c1-10-6-7-13(11(2)8-10)14-9-15(16(18)19)17(4,5)12(14)3/h6-8,12,14-15H,9H2,1-5H3,(H,18,19)/p-1/t12-,14+,15-/m0/s1
SMILES: CCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H30N4O4/c1-2-21(28)31-17(16-27-22(29)18-7-3-4-8-19(18)23(27)30)15-25-11-13-26(14-12-25)20-9-5-6-10-24-20/h3-6,9-10,17-19H,2,7-8,11-16H2,1H3/t17?,18-,19+
SMILES: C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H31N3O2/c1-23(16-25-21(26)18-10-4-5-11-19(18)22(25)27)15-17-9-3-6-12-20(17)24-13-7-2-8-14-24/h3,6,9,12,18-19H,2,4-5,7-8,10-11,13-16H2,1H3/p+1/t18-,19+
SMILES: C[C@@H]1[C@@H]2C(C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC=C)CNC(=O)N4CCCC4)C(=O)OCC=C)[C@@H](C)O
InChI: InChI=1S/C27H38N4O7S/c1-5-11-37-25(34)22-23(16(3)21-20(17(4)32)24(33)31(21)22)39-19-13-18(30(15-19)27(36)38-12-6-2)14-28-26(35)29-9-7-8-10-29/h5-6,16-21,32H,1-2,7-15H2,3-4H3,(H,28,35)/t16-,17-,18+,19+,20?,21-/m1/s1
SMILES: CN1[C@H]2CCN(C(=O)[C@H]2[C@@H](O1)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C20H22N2O2/c1-21-17-12-13-22(14-15-8-4-2-5-9-15)20(23)18(17)19(24-21)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+,19-/m0/s1
SMILES: CCOCCOC(=O)[C@@H]1C(=N[C@@]2([C@@]1(C(=O)C3=CC=CC=C32)O)O)C
InChI: InChI=1S/C17H19NO6/c1-3-23-8-9-24-15(20)13-10(2)18-17(22)12-7-5-4-6-11(12)14(19)16(13,17)21/h4-7,13,21-22H,3,8-9H2,1-2H3/t13-,16+,17+/m0/s1
SMILES: C[C@@H]([C@@H]1[C@H](N=C(O1)C2=CC=CC=C2)CC3=CC=CC=C3)O
InChI: InChI=1S/C18H19NO2/c1-13(20)17-16(12-14-8-4-2-5-9-14)19-18(21-17)15-10-6-3-7-11-15/h2-11,13,16-17,20H,12H2,1H3/t13-,16+,17+/m0/s1
SMILES: C[C@H]1CN(C[C@@H]1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H17F2NO2/c1-12-10-22(19(24)14-4-8-16(21)9-5-14)11-17(12)18(23)13-2-6-15(20)7-3-13/h2-9,12,17H,10-11H2,1H3/t12-,17-/m0/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C21H22BrN3O7/c1-11(26)23-19-15(14-7-5-4-6-8-14)9-25(21(29)24-19)20-17(22)18(31-13(3)28)16(32-20)10-30-12(2)27/h4-9,16-18,20H,10H2,1-3H3,(H,23,24,26,29)/t16-,17-,18-,20-/m1/s1
SMILES: C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@]4(CCO)O)C)C
InChI: InChI=1S/C22H36O3/c1-14-12-16(24)13-15-4-5-17-18-7-9-22(25,10-11-23)20(18,2)8-6-19(17)21(14,15)3/h14-15,17-19,23,25H,4-13H2,1-3H3/t14-,15-,17-,18-,19-,20-,21-,22+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@]1(CC[C@@H]2CO[Si](C)(C)C(C)(C)C)O)C3=CC=CC=C3
InChI: InChI=1S/C23H38O2Si/c1-21(2,3)26(5,6)25-17-20-13-15-23(24)16-19(12-14-22(20,23)4)18-10-8-7-9-11-18/h7-11,19-20,24H,12-17H2,1-6H3/t19-,20-,22-,23+/m1/s1
SMILES: CCCCCCCCCCCCCCCCS[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
InChI: InChI=1S/C57H78N2O9S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-36-69-54-40-52(58-66-42-43-27-29-46(30-28-43)59(63)64)50-38-45(24-17-19-33-60)49(26-18-20-34-61)55-51-39-48(67-47-25-22-23-44(37-47)41-62)31-32-53(51)68-57(54,56(50)55)65-35-4-2/h4,22-23,25,27-32,37-39,41,45,49,54-56,60-61H,2-3,5-21,24,26,33-36,40,42H2,1H3/t45-,49+,54-,55+,56+,57+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@H]2[C@@H](OC(O2)(C)C)COCC3=CC=C(C=C3)OC)CN)C
InChI: InChI=1S/C20H31NO6/c1-19(2)24-15(10-21)17(26-19)18-16(25-20(3,4)27-18)12-23-11-13-6-8-14(22-5)9-7-13/h6-9,15-18H,10-12,21H2,1-5H3/t15-,16+,17+,18-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H](N(C1=O)[Si](C)(C)C(C)(C)C)CC(SC)(SC)SC
InChI: InChI=1S/C16H31NO2S3Si/c1-11(18)13-12(10-16(20-5,21-6)22-7)17(14(13)19)23(8,9)15(2,3)4/h12-13H,10H2,1-9H3/t12-,13-/m1/s1
SMILES: CCCCCCC(CCC)NC(=O)OC1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
InChI: InChI=1S/C23H36N2O2.C20H18O8/c1-4-6-7-8-10-18(9-5-2)25-22(26)27-19-12-11-17-15-21-23(3,13-14-24-21)20(17)16-19;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h11-12,16,18,21,24H,4-10,13-15H2,1-3H3,(H,25,26);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t18?,21-,23+;15-,16-/m11/s1
SMILES: C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COS(=O)(=O)N)O)O
InChI: InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12-,13+,15+,16+,19+/m0/s1
SMILES: CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)OC
InChI: InChI=1S/C14H16N2O4S2/c1-9(17)15-14-16(10-3-5-11(20-2)6-4-10)12-7-22(18,19)8-13(12)21-14/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m0/s1
SMILES: CC(=O)OC[C@@]12CCN([C@@H]1CC(=O)C=C2OC)CC3=CC=CC=C3
InChI: InChI=1S/C19H23NO4/c1-14(21)24-13-19-8-9-20(12-15-6-4-3-5-7-15)17(19)10-16(22)11-18(19)23-2/h3-7,11,17H,8-10,12-13H2,1-2H3/t17-,19+/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@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C)(C)OCC#CC4=CC=C(S4)Br)C)C)NC(=O)O2)C
InChI: InChI=1S/C39H55BrN2O11S/c1-12-28-39(9)33(41-37(47)53-39)22(4)30(44)20(2)19-38(8,48-17-13-14-26-15-16-29(40)54-26)34(23(5)31(45)24(6)35(46)51-28)52-36-32(50-25(7)43)27(42(10)11)18-21(3)49-36/h15-16,20-24,27-28,32-34,36H,12,17-19H2,1-11H3,(H,41,47)/t20-,21-,22+,23+,24-,27+,28-,32-,33-,34-,36+,38+,39-/m1/s1