EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@@]1([C@H](COC1=O)CC2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C24H28O8/c1-15(25)32-24(13-17-7-9-20(28-3)22(12-17)30-5)18(14-31-23(24)26)10-16-6-8-19(27-2)21(11-16)29-4/h6-9,11-12,18H,10,13-14H2,1-5H3/t18-,24+/m0/s1
SMILES: CC(C)OC1=C([C@]2(C3=CCCC[C@@H]3C[C@]2(C1=O)C)O)OC(C)C
InChI: InChI=1S/C19H28O4/c1-11(2)22-15-16(20)18(5)10-13-8-6-7-9-14(13)19(18,21)17(15)23-12(3)4/h9,11-13,21H,6-8,10H2,1-5H3/t13-,18+,19+/m1/s1
SMILES: C[C@@H]1C[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3[C@@H]1C4=C(CC3)C=C(C=C4)OC)C
InChI: InChI=1S/C22H28O2/c1-5-22(23)11-10-19-18-8-6-15-12-16(24-4)7-9-17(15)20(18)14(2)13-21(19,22)3/h1,7,9,12,14,18-20,23H,6,8,10-11,13H2,2-4H3/t14-,18-,19+,20+,21+,22+/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](C(=O)N1)N2[C@H](COC2=O)C3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C30H34N2O4Si/c1-21(26-27(28(33)31-26)32-25(20-35-29(32)34)22-14-8-5-9-15-22)36-37(30(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,21,25-27H,20H2,1-4H3,(H,31,33)/t21-,25+,26-,27-/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3
InChI: InChI=1S/C23H23N5O2/c1-2-30-22(29)28-11-10-17-18(12-24)21(27)23(14-25,15-26)20(19(17)13-28)9-8-16-6-4-3-5-7-16/h3-7,10,18-20,27H,2,8-9,11,13H2,1H3/t18?,19-,20+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4C
InChI: InChI=1S/C19H20N2O3S/c1-13-7-9-15(10-8-13)20-17-11-25(23,24)12-18(17)21(19(20)22)16-6-4-3-5-14(16)2/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m1/s1
SMILES: C/C/1=C\CC(=O)CC(=O)CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C
InChI: InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)25-13-14-26-24-12-11-22(29)17-21(28)10-9-19(3)23(24)15-16-27(25,26)5/h9,18,20,23-26H,6-8,10-17H2,1-5H3/b19-9+/t20-,23-,24-,25-,26+,27-/m1/s1
SMILES: CN(CCOC1=CC=C(C=C1)Cl)CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl
InChI: InChI=1S/C15H20Cl2N2O4S/c1-19(6-7-23-12-4-2-11(16)3-5-12)8-15(20)18-14-10-24(21,22)9-13(14)17/h2-5,13-14H,6-10H2,1H3,(H,18,20)/t13-,14+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)NNC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O5S/c24-20(12-16-11-14-6-7-15(16)10-14)22-23-21(25)19-9-8-17(28-19)13-29(26,27)18-4-2-1-3-5-18/h1-5,8-9,14-16H,6-7,10-13H2,(H,22,24)(H,23,25)/t14-,15+,16-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)SC5CCCC5
InChI: InChI=1S/C21H25N5O5S/c1-12(27)13-6-8-14(9-7-13)22-21(28)31-17-11-30-18-16(10-29-19(17)18)26-20(23-24-25-26)32-15-4-2-3-5-15/h6-9,15-19H,2-5,10-11H2,1H3,(H,22,28)/t16-,17+,18+,19+/m0/s1
SMILES: C[C@H](/C=C/C=C(Cl)Cl)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C25H34Cl2O2/c1-16(6-4-8-24(26)27)21-11-12-22-18(7-5-13-25(21,22)3)9-10-19-14-20(28)15-23(29)17(19)2/h4,6,8-10,16,20-23,28-29H,2,5,7,11-15H2,1,3H3/b6-4+,18-9+,19-10-/t16-,20-,21-,22+,23+,25-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C)C3=CC=CC=C3)N[C@H]4C=C5COC(O[C@H]5[C@H]6[C@H]4OC(O6)(C)C)(C)C)O
InChI: InChI=1S/C31H41NO11/c1-15(33)38-26-22(35)21(19-14-36-29(17-10-8-7-9-11-17)40-24(19)27(26)39-16(2)34)32-20-12-18-13-37-30(3,4)41-23(18)28-25(20)42-31(5,6)43-28/h7-12,19-29,32,35H,13-14H2,1-6H3/t19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29?/m0/s1
SMILES: CC1=NC(=CC=C1)C2=CC=CC(=N2)COC(=O)[C@H]3[C@@H](C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)OCC7=NC(=CC=C7)C8=CC=CC(=N8)C
InChI: InChI=1S/C42H34N4O4/c1-25-11-7-19-33(43-25)35-21-9-13-27(45-35)23-49-41(47)39-37-29-15-3-5-17-31(29)38(32-18-6-4-16-30(32)37)40(39)42(48)50-24-28-14-10-22-36(46-28)34-20-8-12-26(2)44-34/h3-22,37-40H,23-24H2,1-2H3/t37?,38?,39-,40-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C
InChI: InChI=1S/C16H24ClN3O10/c1-8(21)27-7-11-13(28-9(2)22)12(18-16(24)20(19-25)6-5-17)14(29-10(3)23)15(26-4)30-11/h11-15H,5-7H2,1-4H3,(H,18,24)/t11-,12+,13-,14-,15-/m1/s1
SMILES: CC(=O)OC1=CC2=C(CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)OC(=O)[C@]4(CCC[C@]5([C@H]4CCC6=C5C=C(C=C6)OC(=O)C)C)C)C)C=C1
InChI: InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)CN(C)[C@H](C)C7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C43H51N3O4/c1-27-39(25-46(3)28(2)36-13-12-33-6-4-5-7-37(33)21-36)49-41(50-40(27)34-10-8-29(26-47)9-11-34)35-14-16-38(17-15-35)44-42(48)45-43-22-30-18-31(23-43)20-32(19-30)24-43/h4-17,21,27-28,30-32,39-41,47H,18-20,22-26H2,1-3H3,(H2,44,45,48)/t27-,28+,30?,31?,32?,39+,40+,41+,43?/m0/s1
SMILES: C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)/C=C(/C(=O)OCCC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)\Cl
InChI: InChI=1S/C54H71ClN2O15/c1-56(20-17-35-28-46(66-9)52(69-12)53(70-13)48(35)39(56)24-33-25-42(62-5)50(67-10)43(26-33)63-6)18-14-22-71-47(58)32-38(55)54(59)72-23-15-19-57(2)21-16-34-27-40(60-3)41(61-4)31-37(34)49(57)36-29-44(64-7)51(68-11)45(30-36)65-8/h25-32,39,49H,14-24H2,1-13H3/q+2/b38-32-/t39-,49-,56-,57-/m1/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C18H21N3O5/c22-17(15-3-1-2-4-16(15)18(23)24)20-11-9-19(10-12-20)13-5-7-14(8-6-13)21(25)26/h1-2,5-8,15-16H,3-4,9-12H2,(H,23,24)/t15-,16-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCCSSC)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C37H52ClN3O10S2/c1-21-12-10-13-28(48-8)37(46)20-27(49-35(45)39-37)22(2)33-36(4,51-33)29(50-34(44)23(3)40(5)30(42)14-11-15-53-52-9)19-31(43)41(6)25-17-24(16-21)18-26(47-7)32(25)38/h10,12-13,17-18,22-23,27-29,33,46H,11,14-16,19-20H2,1-9H3,(H,39,45)/b13-10+,21-12+/t22-,23+,27+,28-,29+,33+,36+,37+/m1/s1
SMILES: CN1[C@@H]([C@@H]([C@]2(C1=O)CCCN2)C3=CC(=C(C=C3Br)Br)OC)O
InChI: InChI=1S/C15H18Br2N2O3/c1-19-13(20)12(15(14(19)21)4-3-5-18-15)8-6-11(22-2)10(17)7-9(8)16/h6-7,12-13,18,20H,3-5H2,1-2H3/t12-,13+,15-/m0/s1
SMILES: CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1
SMILES: C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
InChI: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18-,19-/m1/s1
SMILES: CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl
InChI: InChI=1S/C16H20ClN3O5S/c1-18-16(22)14-6-20(12-4-2-3-5-13(12)25-14)7-15(21)19-11-9-26(23,24)8-10(11)17/h2-5,10-11,14H,6-9H2,1H3,(H,18,22)(H,19,21)/t10-,11+,14+/m0/s1
SMILES: C1CN(CCN1C[C@@H]2[C@H]([C@@H](OC(O2)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)C7=NC=CC=N7
InChI: InChI=1S/C39H41N5O5S/c45-28-30-14-16-32(17-15-30)37-36(31-8-3-1-4-9-31)35(27-43-22-24-44(25-23-43)39-40-20-7-21-41-39)48-38(49-37)33-18-12-29(13-19-33)26-42-50(46,47)34-10-5-2-6-11-34/h1-21,35-38,42,45H,22-28H2/t35-,36-,37+,38?/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=C(C=C8OC)OC)O)C(=O)N(C7=O)C9=CC(=CC=C9)[N+](=O)[O-])C
InChI: InChI=1S/C42H36ClN5O9S/c1-19-26-13-20(43)9-12-32(26)58-37(19)29-18-33(45(3)44-29)47-39(51)28-17-27-24(36(42(28,2)41(47)53)35-30(49)15-23(56-4)16-31(35)57-5)10-11-25-34(27)40(52)46(38(25)50)21-7-6-8-22(14-21)48(54)55/h6-10,12-16,18,25,27-28,34,36,49H,11,17H2,1-5H3/t25-,27+,28-,34-,36+,42+/m0/s1
SMILES: C=CCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C41H60N2O11/c1-3-5-22-51-40(48)43(17-24-49-25-20-46)36-28-34(42-54-37-14-8-11-23-50-37)32-26-29(12-6-9-18-44)31(13-7-10-19-45)38-33-27-30(47)15-16-35(33)53-41(36,39(32)38)52-21-4-2/h3-4,15-16,26-27,29,31,36-39,44-47H,1-2,5-14,17-25,28H2/t29-,31+,36-,37?,38+,39+,41+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC=CN6C
InChI: InChI=1S/C36H38N4O7S/c1-23-30(22-48-35-37-16-17-39(35)2)46-34(47-32(23)27-12-10-25(20-41)11-13-27)28-14-8-24(9-15-28)19-40-31(42)18-29(33(40)43)38-36(44)45-21-26-6-4-3-5-7-26/h3-17,23,29-30,32,34,41H,18-22H2,1-2H3,(H,38,44)/t23-,29?,30+,32+,34+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O
InChI: InChI=1S/C21H20O8/c1-9-20(26)14(25)8-16(28-9)18-13(24)7-17-19(21(18)27)12(23)6-15(29-17)10-2-4-11(22)5-3-10/h2-7,9,14,16,20,22,24-27H,8H2,1H3/t9-,14-,16-,20+/m1/s1
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NO[C@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C22H13BrN2O4/c23-15-7-9-16(10-8-15)25-21(27)17-18(24-29-20(17)22(25)28)19(26)14-6-5-12-3-1-2-4-13(12)11-14/h1-11,17,20H/t17-,20-/m0/s1
SMILES: CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C32H45N3O4S.C4H4O4/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;5-3(6)1-2-4(7)8/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23+,26-,27-,29+;/m0./s1
SMILES: C1[C@H](O[C@@H]2CO[C@@H](O[C@H]2[C@H]1OCC3=CC=CC=C3)C4=CC=CC=C4)CCCOCC5=CC=CC=C5
InChI: InChI=1S/C30H34O5/c1-4-11-23(12-5-1)20-31-18-10-17-26-19-27(32-21-24-13-6-2-7-14-24)29-28(34-26)22-33-30(35-29)25-15-8-3-9-16-25/h1-9,11-16,26-30H,10,17-22H2/t26-,27+,28-,29+,30+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O)C)O)C
InChI: InChI=1S/C33H58O4Si/c1-21(12-11-17-31(5,6)36)25-15-16-26-24-14-13-22-18-23(37-38(9,10)30(2,3)4)19-28(35)33(22,8)29(24)27(34)20-32(25,26)7/h13-14,21,23,25-29,34-36H,11-12,15-20H2,1-10H3/t21-,23-,25-,26+,27-,28+,29-,32-,33-/m1/s1
SMILES: CCC[C@H]1C(=O)NC[C@H](C[C@H]([C@H](C[C@H](/C(=C/C=C/[C@H](CCCC(=O)CCCC[C@H](C[C@H](C(=O)O1)C)C)CC)/COC)C)O)O)O
InChI: InChI=1S/C36H63NO8/c1-7-13-34-35(42)37-23-31(39)22-33(41)32(40)21-26(4)29(24-44-6)17-11-15-28(8-2)16-12-19-30(38)18-10-9-14-25(3)20-27(5)36(43)45-34/h11,15,17,25-28,31-34,39-41H,7-10,12-14,16,18-24H2,1-6H3,(H,37,42)/b15-11+,29-17+/t25-,26-,27-,28-,31+,32+,33-,34+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(C[C@H]4CCCO4)C(=O)CCC5CCCC5)C(=O)NCCO)CO
InChI: InChI=1S/C30H42N2O8/c1-38-24-14-19(17-34)13-21-26-22(30(37)31-10-11-33)15-23(27(36)29(26)40-28(21)24)32(16-20-7-4-12-39-20)25(35)9-8-18-5-2-3-6-18/h13-15,18,20,23,26-27,29,33-34,36H,2-12,16-17H2,1H3,(H,31,37)/t20-,23-,26+,27+,29+/m1/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C=CC(=C4)F)NC3=O)N[C@@H]2C(C)C
InChI: InChI=1S/C20H24FN3O3/c1-4-5-8-24-17(25)14-15(18(24)26)20(23-16(14)10(2)3)12-9-11(21)6-7-13(12)22-19(20)27/h6-7,9-10,14-16,23H,4-5,8H2,1-3H3,(H,22,27)/t14-,15-,16+,20-/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9
InChI: InChI=1S/C49H46N6O9/c1-62-29-30-63-48(61)54-38-21-16-32(11-8-9-28-56)31-37(38)49(46(54)60)39(44(58)52-24-26-53(27-25-52)47-50-22-10-23-51-47)41-45(59)64-42(34-14-6-3-7-15-34)40(33-12-4-2-5-13-33)55(41)43(49)35-17-19-36(57)20-18-35/h2-7,10,12-23,31,39-43,56-57H,9,24-30H2,1H3/t39-,40-,41-,42+,43+,49-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4
InChI: InChI=1S/C24H25N3O4/c1-16-9-5-8-14-20(16)27-23(30)22(29)26(24(27)31)15-21(28)25-19-13-7-6-12-18(19)17-10-3-2-4-11-17/h2-4,6-7,10-13,16,20H,5,8-9,14-15H2,1H3,(H,25,28)/t16-,20+/m1/s1
SMILES: [2H][C@]1(C[C@H]2[C@H]3[C@H](CC[C@@]2(C1=O)C)[C@]4(CC[C@@H](CC4=CC3([2H])[2H])O)CO)O
InChI: InChI=1S/C19H28O4/c1-18-6-5-14-13(15(18)9-16(22)17(18)23)3-2-11-8-12(21)4-7-19(11,14)10-20/h2,12-16,20-22H,3-10H2,1H3/t12-,13+,14-,15-,16+,18-,19+/m0/s1/i3D2,16D
SMILES: CCC[C@@H]1CC(N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)N(CC)CC
InChI: InChI=1S/C22H43N3O5S/c1-7-10-14-11-15(24(5)12-14)21(29)23-16(13(4)25(8-2)9-3)20-18(27)17(26)19(28)22(30-20)31-6/h13-20,22,26-28H,7-12H2,1-6H3,(H,23,29)/t13-,14-,15?,16?,17+,18-,19-,20-,22-/m1/s1
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H]3[C@H](C(=O)N3CCC4=CC=C(C=C4)F)OC5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H19ClFNO4/c25-17-4-8-19(9-5-17)31-23-22(16-3-10-20-21(13-16)30-14-29-20)27(24(23)28)12-11-15-1-6-18(26)7-2-15/h1-10,13,22-23H,11-12,14H2/t22-,23+/m0/s1
SMILES: C1CS(=O)(=O)C[C@@H]1N2[C@@H]3CS(=O)(=O)C[C@@H]3NC2=S
InChI: InChI=1S/C9H14N2O4S3/c12-17(13)2-1-6(3-17)11-8-5-18(14,15)4-7(8)10-9(11)16/h6-8H,1-5H2,(H,10,16)/t6-,7+,8-/m1/s1
SMILES: C1[C@H](CN[C@@H]1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=N3)C(=O)N)O)O)O
InChI: InChI=1S/C13H19N5O7/c14-10(22)11-16-4-18(17-11)12-9(21)8(20)7(25-12)3-24-13(23)6-1-5(19)2-15-6/h4-9,12,15,19-21H,1-3H2,(H2,14,22)/t5-,6+,7-,8-,9-,12-/m1/s1
SMILES: CC(=CC(=O)O/C=C/[C@H]1[C@@H](C(=O)C(=CC[C@]1(C)C/C=C/C(C)(C)OC(=O)C)COC(=O)C)CC(=O)C)C
InChI: InChI=1S/C29H40O8/c1-19(2)16-26(33)35-15-11-25-24(17-20(3)30)27(34)23(18-36-21(4)31)10-14-29(25,8)13-9-12-28(6,7)37-22(5)32/h9-12,15-16,24-25H,13-14,17-18H2,1-8H3/b12-9+,15-11+/t24-,25-,29-/m0/s1
SMILES: C1=CN(C(=O)N=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7+,8-/m1/s1
SMILES: CC1([C@H](O[C@@H]([C@@H]([C@H]1OC)O)[C@@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)C[C@H]4COC(=O)O4)C
InChI: InChI=1S/C30H42O8Si/c1-29(2,3)39(21-13-9-7-10-14-21,22-15-11-8-12-16-22)36-19-23(31)26-25(32)27(34-6)30(4,5)24(38-26)17-20-18-35-28(33)37-20/h7-16,20,23-27,31-32H,17-19H2,1-6H3/t20-,23+,24+,25-,26+,27+/m0/s1
SMILES: CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C20H29N3O3/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)21-19(24)17-5-3-4-6-18(17)20(25)26/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24)(H,25,26)/t17-,18-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)[C@@H](C)C(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C18H22FN3O3/c1-11-7-5-6-10-18(11)16(24)22(17(25)21-18)12(2)15(23)20-14-9-4-3-8-13(14)19/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,20,23)(H,21,25)/t11-,12-,18+/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O
InChI: InChI=1S/C41H36N4O10/c1-53-21-22-54-40(52)44-30-19-14-24(9-8-20-43-39(42)51)23-29(30)41(38(44)50)31(36(47)48)33-37(49)55-34(26-12-6-3-7-13-26)32(25-10-4-2-5-11-25)45(33)35(41)27-15-17-28(46)18-16-27/h2-7,10-19,23,31-35,46H,20-22H2,1H3,(H,47,48)(H3,42,43,51)/t31-,32-,33-,34+,35+,41-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@H]3[C@@H]([C@@H](C=C2C)OC)C(=O)N(C3=O)C)C(C)(C)C
InChI: InChI=1S/C22H35NO4/c1-12-8-9-14(22(3,4)5)15(10-12)27-19-13(2)11-16(26-7)17-18(19)21(25)23(6)20(17)24/h11-12,14-19H,8-10H2,1-7H3/t12-,14-,15-,16-,17-,18-,19-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3C[C@@H]([C@H]3C2)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H23NO3S/c1-14-3-9-18(10-4-14)25(22,23)21-12-16-11-19(20(16)13-21)15-5-7-17(24-2)8-6-15/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(ON=C2C)C
InChI: InChI=1S/C16H24N2O4/c1-9-7-5-6-8-13(9)17-15(19)12(4)21-16(20)14-10(2)18-22-11(14)3/h9,12-13H,5-8H2,1-4H3,(H,17,19)/t9-,12-,13-/m1/s1
SMILES: C[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O)OC(=O)C)OC2=C(C(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)OC)C
InChI: InChI=1S/C31H36O16/c1-10-11(2)42-31(29(20(10)35)44-13(4)32)46-18-9-17-19(22(37)27(18)41-5)23(38)28(26(45-17)14-6-7-15(33)16(34)8-14)47-30-25(40)24(39)21(36)12(3)43-30/h6-12,20-21,24-25,29-31,33-37,39-40H,1-5H3/t10-,11-,12-,20+,21-,24+,25+,29+,30-,31-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O4/c1-30-18-13-11-17(12-14-18)22(16-7-3-2-4-8-16)25-21(27)15-26-23(28)19-9-5-6-10-20(19)24(26)29/h2-8,11-14,19-20,22H,9-10,15H2,1H3,(H,25,27)/t19-,20-,22+/m0/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC=C(C=C4)OC)C#N
InChI: InChI=1S/C17H16N4O3/c1-10-7-23-17(24-10)16(9-19)13(15(16,8-18)14(20)21-17)11-3-5-12(22-2)6-4-11/h3-6,10,13H,7H2,1-2H3,(H2,20,21)/t10-,13-,15-,16-,17-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C
InChI: InChI=1S/C17H28O4S/c1-5-22-14-11(3)13-7-6-10(2)12-8-9-16(4)19-15(18-14)17(12,13)21-20-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
SMILES: CCC[C@@]1(C[C@@]2(C(=C([C@]1(C(=C(C#N)C#N)N2)C#N)N)C#N)CCC)C
InChI: InChI=1S/C19H22N6/c1-4-6-17(3)11-18(7-5-2)14(10-22)15(24)19(17,12-23)16(25-18)13(8-20)9-21/h25H,4-7,11,24H2,1-3H3/t17-,18-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H28N2O5/c1-12-7-3-6-10-16(12)21-17(23)11-27-20(26)13(2)22-18(24)14-8-4-5-9-15(14)19(22)25/h4-5,12-16H,3,6-11H2,1-2H3,(H,21,23)/t12-,13-,14-,15+,16+/m0/s1
SMILES: COC1=CC2=C(C=C1)C(=O)C=C3[C@]24C[C@H]4CN3C(=O)C5=CC6=C(N5)C=CC7=C6CCN7C(=O)N
InChI: InChI=1S/C26H22N4O4/c1-34-14-2-3-16-18(8-14)26-11-13(26)12-30(23(26)10-22(16)31)24(32)20-9-17-15-6-7-29(25(27)33)21(15)5-4-19(17)28-20/h2-5,8-10,13,28H,6-7,11-12H2,1H3,(H2,27,33)/t13-,26-/m0/s1
SMILES: CCNC(=O)N[C@@H]1[C@H](CC2=CC=CC=C12)NC(=O)C3=CC4=C(N3)C(=C(S4)Cl)Cl
InChI: InChI=1S/C19H18Cl2N4O2S/c1-2-22-19(27)25-15-10-6-4-3-5-9(10)7-11(15)24-18(26)12-8-13-16(23-12)14(20)17(21)28-13/h3-6,8,11,15,23H,2,7H2,1H3,(H,24,26)(H2,22,25,27)/t11-,15-/m0/s1
SMILES: C[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H21NO6/c1-12(21-17(22)15-5-3-4-6-16(15)18(21)23)19(24)27-11-13-7-9-14(10-8-13)20(25)26-2/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3/t12-,15-,16-/m0/s1
SMILES: CC(C)NC(=O)NS(=O)(=O)C1=CN=C(N=C1N[C@@H]2C[C@H]3CC[C@@H]2C3)N
InChI: InChI=1S/C15H24N6O3S/c1-8(2)18-15(22)21-25(23,24)12-7-17-14(16)20-13(12)19-11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H2,18,21,22)(H3,16,17,19,20)/t9-,10+,11+/m0/s1
SMILES: C/C=C\1/C[N+]2(CC[C@]34[C@H]2C[C@H]1C(=C3NC5=C4C=CC=C5OC)C=O)C
InChI: InChI=1S/C21H24N2O2/c1-4-13-11-23(2)9-8-21-16-6-5-7-17(25-3)19(16)22-20(21)15(12-24)14(13)10-18(21)23/h4-7,12,14,18H,8-11H2,1-3H3/p+1/b13-4-/t14-,18-,21+,23?/m1/s1
SMILES: C[C@H](C(=O)NNC(=S)NCC[NH+]1CCOCC1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H27N5O4S/c1-12(23-16(25)13-4-2-3-5-14(13)17(23)26)15(24)20-21-18(28)19-6-7-22-8-10-27-11-9-22/h2-3,12-14H,4-11H2,1H3,(H,20,24)(H2,19,21,28)/p+1/t12-,13-,14+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CC[C@]2(C[C@@H]1CC(=O)N2C(=O)OC(C)(C)C)CC=C
InChI: InChI=1S/C25H45NO4Si/c1-11-13-25-14-12-21(30-31(17(2)3,18(4)5)19(6)7)20(16-25)15-22(27)26(25)23(28)29-24(8,9)10/h11,17-21H,1,12-16H2,2-10H3/t20-,21+,25-/m0/s1
SMILES: CC1C[C@@]12[C@@H](OC(=N2)C3=CC=CC=C3)C(=O)O[C@H]4C[C@]5([C@H]([C@H]6[C@@]([C@H](C[C@@H]7[C@]6(CO7)OC(=O)C)O)(C(=O)[C@@H](C(=C4C)C5(C)C)OC(=O)C)C)OC(=O)C8=CC=CC=C8)O
InChI: InChI=1S/C44H49NO13/c1-22-19-42(22)36(56-37(45-42)26-14-10-8-11-15-26)39(51)55-28-20-44(52)35(57-38(50)27-16-12-9-13-17-27)33-41(7,29(48)18-30-43(33,21-53-30)58-25(4)47)34(49)32(54-24(3)46)31(23(28)2)40(44,5)6/h8-17,22,28-30,32-33,35-36,48,52H,18-21H2,1-7H3/t22?,28-,29-,30+,32+,33-,35-,36-,41+,42-,43-,44+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4N(C)C)C)O
InChI: InChI=1S/C21H37NO/c1-20-11-9-15(23)13-14(20)5-6-16-17-7-8-19(22(3)4)21(17,2)12-10-18(16)20/h14-19,23H,5-13H2,1-4H3/t14-,15+,16-,17+,18-,19-,20-,21-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI: InChI=1S/C17H26N4O4S2/c1-10-5-4-6-14(11(10)2)19-17(26)21-20-16(22)13-9-12(27(18,23)24)7-8-15(13)25-3/h7-11,14H,4-6H2,1-3H3,(H,20,22)(H2,18,23,24)(H2,19,21,26)/t10-,11+,14+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN=C(SC)SC)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C21H31NO2S2/c1-15-11-12-17(21(2,3)16-9-7-6-8-10-16)18(13-15)24-19(23)14-22-20(25-4)26-5/h6-10,15,17-18H,11-14H2,1-5H3/t15-,17-,18-/m1/s1
SMILES: C[C@@]12[C@@H](O1)[C@H](C3=C(C2=O)N(C4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)C#N)O
InChI: InChI=1S/C18H10N2O6/c1-18-16(25)12-10(15(24)17(18)26-18)9-11(20(12)5-19)14(23)8-6(13(9)22)3-2-4-7(8)21/h2-4,15,17,21,24H,1H3/t15-,17-,18+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCl)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C23H29ClO6/c1-21-7-5-14(25)9-13(21)3-4-15-16-6-8-23(29,18(27)12-30-19(28)11-24)22(16,2)10-17(26)20(15)21/h5,7,9,15-17,20,26,29H,3-4,6,8,10-12H2,1-2H3/t15-,16-,17-,20+,21-,22-,23-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@@H]4C(=CCN5N4C(=O)N(C5=O)CCC6=NC7=CC(=C(C=C7N(C6=O)C)OC)OC)[C@@H]([C@@]3(C2=O)C8=CC=CC=C8)C9=CC=CC(=C9O)CC=C
InChI: InChI=1S/C47H45N7O8/c1-6-11-28-12-10-15-32(41(28)55)40-31-20-23-52-45(59)51(22-21-34-43(57)50(3)37-26-39(62-5)38(61-4)25-35(37)48-34)46(60)54(52)36(31)24-33-42(56)53(49-30-18-16-27(2)17-19-30)44(58)47(33,40)29-13-8-7-9-14-29/h6-10,12-20,25-26,33,36,40,49,55H,1,11,21-24H2,2-5H3/t33-,36+,40+,47+/m0/s1
SMILES: CCN(CC)[C@@H]1[C@H](C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3
InChI: InChI=1S/C19H21ClN2O/c1-3-22(4-2)18-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-19(18)23/h5-12,17-18H,3-4H2,1-2H3,(H,21,23)/t17-,18+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@]2([C@H]1CC=C([C@H]2O)C)O)C(=C)C(=O)O
InChI: InChI=1S/C15H22O4/c1-8-4-7-12(10(3)14(17)18)15(19)11(8)6-5-9(2)13(15)16/h5,8,11-13,16,19H,3-4,6-7H2,1-2H3,(H,17,18)/t8-,11+,12+,13-,15-/m1/s1
SMILES: CC(=O)NC1=NN(C(S1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C)C(=O)C
InChI: InChI=1S/C15H21N3O7S/c1-6(19)16-14-17-18(7(2)20)12(26-14)10-9(22-8(3)21)11-13(23-10)25-15(4,5)24-11/h9-13H,1-5H3,(H,16,17,19)/t9-,10-,11+,12?,13+/m0/s1
SMILES: CC(=O)C1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@H]34)Cl)C)OC(=O)C
InChI: InChI=1S/C23H27ClO4/c1-12-9-20-18-11-21(24)19-10-15(27)5-6-16(19)17(18)7-8-22(20,4)23(12,13(2)25)28-14(3)26/h10-11,16-18,20H,1,5-9H2,2-4H3/t16-,17-,18-,20+,22+,23?/m1/s1
SMILES: CC(C)CC[C@H]1C[C@H]1C(=O)NC2=CC=C(C=C2)NC(=O)[C@H]3C[C@H]3CCC(C)C
InChI: InChI=1S/C24H36N2O2/c1-15(2)5-7-17-13-21(17)23(27)25-19-9-11-20(12-10-19)26-24(28)22-14-18(22)8-6-16(3)4/h9-12,15-18,21-22H,5-8,13-14H2,1-4H3,(H,25,27)(H,26,28)/t17-,18+,21+,22-
SMILES: CC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C26H28Cl2N2O7/c1-13(33)30(11-15-3-4-16(27)9-19(15)28)20-10-18(26(35)29-5-6-31)22-17-7-14(12-32)8-21(36-2)24(17)37-25(22)23(20)34/h3-4,7-10,20,22-23,25,31-32,34H,5-6,11-12H2,1-2H3,(H,29,35)/t20-,22+,23+,25+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCOC4)C)C
InChI: InChI=1S/C26H42O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-22,24H,6-14,16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@]1(C(=O)C=C3[C@@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h13-19,25H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19-,23+,24-/m1/s1
SMILES: CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C18H27N5O5/c1-2-3-4-5-6-7-12(24)27-8-11-14(25)15(26)18(28-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H2,19,20,21)/t11-,14-,15+,18-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@H](O2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C14H16BrNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h5-8,11-12,14H,1-4H2,(H,16,17)/t11-,12+,14-/m1/s1
SMILES: C[C@]12C[C@@H]([C@@H]3C4=C(CC[C@]3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)C5=CC=C(C=C5)OCCCCCSCCCC(C(F)(F)F)(F)F
InChI: InChI=1S/C36H45F5O3S/c1-3-34-18-16-25-22-26(42)10-13-28(25)32(34)29(23-33(2)30(34)14-15-31(33)43)24-8-11-27(12-9-24)44-19-5-4-6-20-45-21-7-17-35(37,38)36(39,40)41/h3,8-13,22,29-32,42-43H,1,4-7,14-21,23H2,2H3/t29-,30-,31+,32+,33+,34+/m1/s1
SMILES: CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@@H]4[C@H]([C@H]([C@H](O[C@H]4O1)C)O)O)CO)O)O)C)O)O
InChI: InChI=1S/C34H60O15/c1-4-5-11-14-20-15-12-9-7-6-8-10-13-16-22(36)47-29-26(40)23(37)19(3)44-33(29)48-31-28(42)25(39)21(17-35)46-34(31)49-30-27(41)24(38)18(2)43-32(30)45-20/h18-21,23-35,37-42H,4-17H2,1-3H3/t18-,19-,20+,21-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+/m1/s1