EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]([C@H]2[C@H](O2)[C@H]([C@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO
InChI: InChI=1S/C21H24O4/c22-12-17-11-18(23-13-15-7-3-1-4-8-15)20(21-19(17)25-21)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19+,20+,21+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O
InChI: InChI=1S/C19H22N2O3S/c1-13-6-2-3-9-15(13)20-18(22)12-21-16-10-4-7-14-8-5-11-17(19(14)16)25(21,23)24/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H,20,22)/t13-,15-/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=CC=C7O)C(=O)N(C5=O)C8CCN(CC8)CC9=CC=CC=C9
InChI: InChI=1S/C45H44N4O5/c1-28-16-18-31(19-17-28)46-49-42(52)37-26-36-33(40(34-14-8-9-15-38(34)50)45(37,44(49)54)30-12-6-3-7-13-30)20-21-35-39(36)43(53)48(41(35)51)32-22-24-47(25-23-32)27-29-10-4-2-5-11-29/h2-20,32,35-37,39-40,46,50H,21-27H2,1H3/t35-,36+,37-,39-,40+,45+/m0/s1
SMILES: CCOC(=O)N(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC=C(S6)C)C)O)CC78CC9CC(C7)CC(C9)C8
InChI: InChI=1S/C42H57NO5S/c1-5-48-36(46)43(24-39-19-27-16-28(20-39)18-29(17-27)21-39)25-41(47)13-10-34-38(41,4)12-9-33-37(3)11-8-30(44)22-40(37)14-15-42(33,34)31(23-40)35(45)32-7-6-26(2)49-32/h6-7,14-15,23,27-30,33-34,44,47H,5,8-13,16-22,24-25H2,1-4H3/t27?,28?,29?,30?,33-,34-,37-,38+,39?,40+,41-,42-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@H]([C@@H]1OC(=O)C)C=C([C@H]/3[C@@]2(C(=O)O[C@@H](CCC/C=C(/C=C(\C=C\C=C3)/C)\C(=O)O)C)C)C
InChI: InChI=1S/C31H42O6/c1-19-11-7-10-14-26-21(3)18-25-27(16-15-20(2)28(25)37-23(5)32)31(26,6)30(35)36-22(4)12-8-9-13-24(17-19)29(33)34/h7,10-11,13-14,17-18,20,22,25-28H,8-9,12,15-16H2,1-6H3,(H,33,34)/b11-7+,14-10+,19-17-,24-13-/t20-,22+,25+,26-,27-,28+,31-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C35H46O20/c1-14-24(42)28(46)32(55-34-29(47)27(45)25(43)21(12-36)52-34)35(51-14)54-31-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(30(31)48)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31-,32+,33+,34-,35+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2CC=C[C@@H]2C3=C(C=CC(=C3N1)Cl)C(=O)O
InChI: InChI=1S/C16H16ClNO4/c1-2-22-16(21)13-9-5-3-4-8(9)12-10(15(19)20)6-7-11(17)14(12)18-13/h3-4,6-9,13,18H,2,5H2,1H3,(H,19,20)/t8-,9-,13-/m0/s1
SMILES: CO[C@@H]1CO[C@@H]([C@@H]([C@H]1OC)OC)OC(=N)C(Cl)(Cl)Cl
InChI: InChI=1S/C10H16Cl3NO5/c1-15-5-4-18-8(7(17-3)6(5)16-2)19-9(14)10(11,12)13/h5-8,14H,4H2,1-3H3/t5-,6+,7-,8-/m1/s1
SMILES: CC[Si](CC)(CC)OCC1=C[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O[Si](CC)(CC)CC
InChI: InChI=1S/C22H39N5O3Si2/c1-7-31(8-2,9-3)28-14-17-13-18(30-32(10-4,11-5)12-6)22(29-17)27-16-26-19-20(23)24-15-25-21(19)27/h13,15-16,18,22H,7-12,14H2,1-6H3,(H2,23,24,25)/t18-,22-/m1/s1
SMILES: CCC1=C2C(=CC=C1)[C@@H]3C=CC[C@@H]3[C@H](N2)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O2/c1-2-13-5-3-7-17-16-6-4-8-18(16)20(21-19(13)17)14-9-11-15(12-10-14)22(23)24/h3-7,9-12,16,18,20-21H,2,8H2,1H3/t16-,18-,20+/m0/s1
SMILES: C/C/1=C/[C@H]2[C@@H]3[C@H](C[C@@]4(C(=O)C=C1O4)C)O[C@@]([C@]3(C(=O)O2)C)(C(=C)C)O
InChI: InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13-,15+,17+,18+,19+/m0/s1
SMILES: C1CN(CC[NH+]1C[C@@H]2C[C@H]3C[C@@H]2C=C3)C(=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H23ClN2O/c20-18-3-1-2-16(12-18)19(23)22-8-6-21(7-9-22)13-17-11-14-4-5-15(17)10-14/h1-5,12,14-15,17H,6-11,13H2/p+1/t14-,15+,17+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C(=O)N(C1=O)CC2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C15H15NO6/c1-9(17)21-12-13(22-10(2)18)15(20)16(14(12)19)8-11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13+
SMILES: CCN(CC(=O)N[C@@H]1CCC[C@@H]([C@@H]1C)C)CC(=O)NC2=CC=CC=C2OC
InChI: InChI=1S/C21H33N3O3/c1-5-24(13-20(25)22-17-11-8-9-15(2)16(17)3)14-21(26)23-18-10-6-7-12-19(18)27-4/h6-7,10,12,15-17H,5,8-9,11,13-14H2,1-4H3,(H,22,25)(H,23,26)/t15-,16-,17+/m0/s1
SMILES: C[N+]1(CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F)CC4=C(N5[C@@H]([C@@H](C5=O)NC=O)SC4)C(=O)O
InChI: InChI=1S/C26H26F3N5O7S/c1-34(10-13-11-42-24-18(30-12-35)23(37)33(24)19(13)26(40)41)6-4-31(5-7-34)21-16(28)8-14-20(17(21)29)32(3-2-27)9-15(22(14)36)25(38)39/h8-9,12,18,24H,2-7,10-11H2,1H3,(H2-,30,35,38,39,40,41)/p+1/t18-,24-/m1/s1
SMILES: CC1(O[C@H]2[C@H]3[C@H](C4CC(=O)C=C4[C@H]([C@H]2O1)O)OC(O3)(C)C)C
InChI: InChI=1S/C16H22O6/c1-15(2)19-11-9-6-7(17)5-8(9)10(18)12-14(13(11)21-15)22-16(3,4)20-12/h5,9-14,18H,6H2,1-4H3/t9?,10-,11+,12-,13-,14-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=C(C=C(C=C7OC)O)OC)C8=CC=CC=C8)C9=CC=CC=C9)OC)OC
InChI: InChI=1S/C47H43N5O10/c1-49-35-25-37(60-3)36(59-2)24-33(35)48-32(44(49)56)17-18-50-45(57)51-19-16-29-34(52(51)46(50)58)23-31-43(55)30(26-12-8-6-9-13-26)22-40(54)47(31,27-14-10-7-11-15-27)42(29)41-38(61-4)20-28(53)21-39(41)62-5/h6-16,20-22,24-25,31,34,42,53H,17-19,23H2,1-5H3/t31-,34+,42+,47-/m0/s1
SMILES: CC1=C([C@@H]([C@@](C1)(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)SC)C
InChI: InChI=1S/C21H22OS/c1-15-14-21(20(23-3)16(15)2,18-12-8-5-9-13-18)19(22)17-10-6-4-7-11-17/h4-13,20H,14H2,1-3H3/t20-,21-/m0/s1
SMILES: CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3)C(=O)OCC=C
InChI: InChI=1S/C16H16N2O3/c1-3-4-21-15(20)12-8(2)18-14-10(19)5-11-16(13(12)14)6-9(16)7-17-11/h3,5,9,17-18H,1,4,6-7H2,2H3/t9-,16+/m1/s1
SMILES: C[NH+]1C[C@@H](C[C@@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
InChI: InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/p+1/t15-,21-,24-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]3C[C@@H]3[C@H]([C@H]2O1)[Si](C)(C)C4=CC=CC=C4)C
InChI: InChI=1S/C17H24O2Si/c1-17(2)18-14-12-10-13(12)16(15(14)19-17)20(3,4)11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13+,14+,15+,16-/m1/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N/O)C/C(=N\OCC4=CC=C(C=C4)[N+](=O)[O-])/C5=CC(=C(C=C35)OC)O
InChI: InChI=1S/C26H29N3O6/c1-26-10-9-17-18-13-24(34-2)23(30)12-20(18)22(11-19(17)21(26)7-8-25(26)27-31)28-35-14-15-3-5-16(6-4-15)29(32)33/h3-6,12-13,17,19,21,30-31H,7-11,14H2,1-2H3/b27-25-,28-22+/t17-,19-,21+,26+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC
InChI: InChI=1S/C20H26N2O5/c1-14-5-3-4-6-17(14)21-20(25)22-18(23)13-27-19(24)12-9-15-7-10-16(26-2)11-8-15/h7-12,14,17H,3-6,13H2,1-2H3,(H2,21,22,23,25)/b12-9+/t14-,17+/m0/s1
SMILES: C1C/C(=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)O)/C(=O)N(C1)C5=CC=CC=C5
InChI: InChI=1S/C24H22N6O6S2/c25-24-26-15(11-38-24)16(28-36)19(31)27-17-21(33)30-18(23(34)35)13(10-37-22(17)30)9-12-5-4-8-29(20(12)32)14-6-2-1-3-7-14/h1-3,6-7,9,11,17,22,36H,4-5,8,10H2,(H2,25,26)(H,27,31)(H,34,35)/b12-9+,28-16-/t17-,22-/m1/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)O)C)C
InChI: InChI=1S/C18H23NO4/c1-4-23-14-7-5-13(6-8-14)19-17(20)15-9-11(2)12(3)10-16(15)18(21)22/h5-8,15-16H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)/t15-,16+/m1/s1
SMILES: CO[13C@@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)N[13C](=O)[13CH3]
InChI: InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6+,7+,8-,9+/m1/s1/i1+1,4+1,9+1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)O)C)O
InChI: InChI=1S/C28H32ClNO8/c1-26-9-7-17(31)11-15(26)3-5-18-20-8-10-28(35,27(20,2)13-22(32)24(18)26)23(33)14-38-25(34)19-6-4-16(30(36)37)12-21(19)29/h4,6,11-12,18,20,22,24,32,35H,3,5,7-10,13-14H2,1-2H3/t18-,20-,22-,24+,26-,27-,28-/m0/s1
SMILES: C[C@@H]1CCC(=O)O[C@H]1C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O
InChI: InChI=1S/C32H53NO7/c1-9-10-11-22(5)31(40-32(33)38)25(8)30(37)24(7)17-19(2)16-23(6)29(36)21(4)12-14-26(34)18-27-20(3)13-15-28(35)39-27/h9-12,14,16,20-27,29-31,34,36-37H,1,13,15,17-18H2,2-8H3,(H2,33,38)/b11-10-,14-12-,19-16-/t20-,21+,22+,23+,24+,25+,26-,27+,29+,30-,31+/m1/s1
SMILES: CC[NH+](CC)CC[NH2+]C[C@@H]1[C@@H]2[C@@H](C[C@]3(CCC[C@@H]([C@]34[C@H]2O4)C)C)OC1=O
InChI: InChI=1S/C21H36N2O3/c1-5-23(6-2)11-10-22-13-15-17-16(25-19(15)24)12-20(4)9-7-8-14(3)21(20)18(17)26-21/h14-18,22H,5-13H2,1-4H3/p+2/t14-,15+,16+,17+,18-,20+,21-/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CCC4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C(=O)C6(CC6)O)C)CN1C
InChI: InChI=1S/C27H42N2O2/c1-17-21-7-8-23-20-6-5-18-15-19(29(4)24(30)27(31)13-14-27)9-11-25(18,2)22(20)10-12-26(21,23)16-28(17)3/h5,17,19-23,31H,6-16H2,1-4H3/t17-,19-,20+,21+,22?,23-,25-,26-/m0/s1
SMILES: CC[N+](CC)(CC)S(=O)(=O)/N=C(/[O-])\O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI: InChI=1S/C17H34N2O4S/c1-7-19(8-2,9-3)24(21,22)18-17(20)23-16-12-14(6)10-11-15(16)13(4)5/h13-16H,7-12H2,1-6H3/t14-,15+,16-/m1/s1
SMILES: C1=CS(=O)(=O)[C@@H]2[C@@H]1ON=C2C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C12H8F3NO3S/c13-12(14,15)8-3-1-7(2-4-8)10-11-9(19-16-10)5-6-20(11,17)18/h1-6,9,11H/t9-,11-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)OC([C@@H]2O)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C40H38O13/c1-23-30(49-35(42)24-14-6-2-7-15-24)33(50-36(43)25-16-8-3-9-17-25)34(51-37(44)26-18-10-4-11-19-26)40(47-23)53-32-29(41)38(45)48-28-22-46-39(52-31(28)32)27-20-12-5-13-21-27/h2-21,23,28-34,38-41,45H,22H2,1H3/t23-,28+,29+,30-,31+,32+,33+,34+,38?,39+,40-/m0/s1
SMILES: CC[C@@H]\1[C@H](/C/2=C/C3=C(C(=C([N-]3)CC4=C(C(=C([N-]4)/C=C\5/[C@H]([C@@H](C(=N5)/C=C1\[N-]2)CC)CC)CC)CC)CC)CC)CC.[Na+].[Ni+2]
InChI: InChI=1S/C36H49N4.Na.Ni/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;;/h17-19,21-24H,9-16,20H2,1-8H3;;/q-3;+1;+2/b29-17-,30-18-,33-19-;;/t21-,22-,23+,24+;;/m1../s1
SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1[C@H](C#C[Si](C)(C)C)O)C2=CC=CC=C2
InChI: InChI=1S/C20H29NO2Si/c1-6-21(7-2)19(23)20(16-11-9-8-10-12-16)15-17(20)18(22)13-14-24(3,4)5/h8-12,17-18,22H,6-7,15H2,1-5H3/t17-,18-,20+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)C3=NC=C(C(=C3Cl)Cl)Cl
InChI: InChI=1S/C15H17Cl3N2O/c16-11-7-19-14(13(18)12(11)17)15(21)20-6-5-9-3-1-2-4-10(9)8-20/h7,9-10H,1-6,8H2/t9-,10-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]3[C@]1(CC2(C)C)C(=C)[C@@H](C3)OC(=O)C
InChI: InChI=1S/C17H26O2/c1-10-6-7-13-14-8-15(19-12(3)18)11(2)17(10,14)9-16(13,4)5/h10,13-15H,2,6-9H2,1,3-5H3/t10-,13-,14-,15-,17+/m1/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H]1F)[NH2+]C2(C(F)(F)F)C(F)(F)F)Cl
InChI: InChI=1S/C8H7ClF7N/c9-4-2-1-3(10)5(4)17-6(2,7(11,12)13)8(14,15)16/h2-5,17H,1H2/p+1/t2-,3+,4+,5+/m0/s1
SMILES: CC1=CC2=C(S1)C(=O)[C@H]3COC(=O)[C@H]3[C@@H]2C4=CC(=C(C(=C4)OC)OC)OC
InChI: InChI=1S/C20H20O6S/c1-9-5-11-15(10-6-13(23-2)18(25-4)14(7-10)24-3)16-12(8-26-20(16)22)17(21)19(11)27-9/h5-7,12,15-16H,8H2,1-4H3/t12-,15+,16+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)C4=CSC=C4)CCOCCOCCO
InChI: InChI=1S/C28H44N2O6S/c1-2-35-28-24(8-15-33-17-18-34-16-14-31)25(22-9-19-37-21-22)20-26(36-28)27(32)30-12-6-23(7-13-30)29-10-4-3-5-11-29/h9,19-21,23-25,28,31H,2-8,10-18H2,1H3/t24-,25+,28+/m1/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCCC4=CC(=C(C=C4)OC)OCC5=CC=CC=C5)O)N
InChI: InChI=1S/C27H31N7O5/c1-29-26(36)23-20(28)22(35)27(39-23)34-15-33-21-24(31-14-32-25(21)34)30-11-10-16-8-9-18(37-2)19(12-16)38-13-17-6-4-3-5-7-17/h3-9,12,14-15,20,22-23,27,35H,10-11,13,28H2,1-2H3,(H,29,36)(H,30,31,32)/t20-,22+,23-,27+/m0/s1
SMILES: CCCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C18H25NO5S/c1-4-9-24-18(23)14-10(2)11(3)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h12-13H,4-9H2,1-3H3,(H,19,20)(H,21,22)/p-1/t12-,13+/m1/s1
SMILES: C[C@@]1(CCC2C(C1)CC[C@@H]3[C@@]2(CC[C@H](C3)OC(C)(C)C)C)CO
InChI: InChI=1S/C21H38O2/c1-19(2,3)23-17-8-11-21(5)16(12-17)7-6-15-13-20(4,14-22)10-9-18(15)21/h15-18,22H,6-14H2,1-5H3/t15?,16-,17+,18?,20-,21-/m0/s1
SMILES: C1[C@H]([C@]2([C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O)COC(=O)C4=CC=CC=C4)COC(=O)CCCC5=CC=CC=C5
InChI: InChI=1S/C27H26O8/c28-21(13-7-10-17-8-3-1-4-9-17)32-15-19-14-20-22-23(26(31)34-25(22)30)27(19,35-20)16-33-24(29)18-11-5-2-6-12-18/h1-6,8-9,11-12,19-20,22-23H,7,10,13-16H2/t19-,20+,22+,23-,27-/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C20H24N2O2S/c1-24-16-10-8-15(9-11-16)19-21-17(13-25-19)20(23)22-12-4-6-14-5-2-3-7-18(14)22/h8-11,13-14,18H,2-7,12H2,1H3/t14-,18+/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]2COC(O[C@H]2C1=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C16H19NO6/c1-9(18)17-12-13(19)14-11(22-16(12)20-2)8-21-15(23-14)10-6-4-3-5-7-10/h3-7,11-12,14-16H,8H2,1-2H3,(H,17,18)/t11-,12-,14-,15?,16+/m1/s1
SMILES: COC1=CC=CC=C1N2[C@H]3[C@@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC
InChI: InChI=1S/C21H19N3O6/c1-28-14-10-6-4-8-12(14)23-19(25)16-17(21(27)30-3)22-24(18(16)20(23)26)13-9-5-7-11-15(13)29-2/h4-11,16,18H,1-3H3/t16-,18+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](C[C@H](O2)N3C=C(C(=O)NC3=O)C=O)OC(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C26H24N2O8/c1-15-3-7-17(8-4-15)24(31)34-14-21-20(36-25(32)18-9-5-16(2)6-10-18)11-22(35-21)28-12-19(13-29)23(30)27-26(28)33/h3-10,12-13,20-22H,11,14H2,1-2H3,(H,27,30,33)/t20-,21+,22+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H](N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)[C@H](C4OCCO4)O
InChI: InChI=1S/C23H26N2O6/c1-29-21(27)19-18(20(26)22-30-12-13-31-22)24(14-16-8-4-2-5-9-16)23(28)25(19)15-17-10-6-3-7-11-17/h2-11,18-20,22,26H,12-15H2,1H3/t18-,19-,20+/m0/s1
SMILES: C[C@]12CC[C@](C1(C)C)([C@@H](C2=O)Br)C(=O)N3CCC4=CC=CC=C43
InChI: InChI=1S/C19H22BrNO2/c1-17(2)18(3)9-10-19(17,14(20)15(18)22)16(23)21-11-8-12-6-4-5-7-13(12)21/h4-7,14H,8-11H2,1-3H3/t14-,18-,19+/m1/s1
SMILES: C[C@H](CC(CC(C)C)O)C1=C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C)OC5(CCOCC5)OC
InChI: InChI=1S/C35H58O6/c1-23(2)18-26(36)19-24(3)30-21-31(41-35(38-7)14-16-39-17-15-35)32-28-9-8-25-20-27(40-22-37-6)10-12-33(25,4)29(28)11-13-34(30,32)5/h8,21,23-24,26-29,31-32,36H,9-20,22H2,1-7H3/t24-,26?,27+,28-,29+,31-,32-,33+,34-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C29H23NO5/c1-16-10-12-17(13-11-16)22(31)15-35-23(32)14-30-28(33)26-24-18-6-2-3-7-19(18)25(27(26)29(30)34)21-9-5-4-8-20(21)24/h2-13,24-27H,14-15H2,1H3/t24?,25?,26-,27+
SMILES: C[C@H](C[C@H]([C@H](C(C)C)O)O)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@]2(C[C@H](C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)O)C)O
InChI: InChI=1S/C27H48O7/c1-13(2)22(32)17(29)10-14(3)15-11-18(30)24-25(15,4)9-7-20-26(5)8-6-16(28)23(33)21(26)19(31)12-27(20,24)34/h13-24,28-34H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21?,22+,23+,24-,25-,26-,27+/m1/s1
SMILES: CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C23H31N3O5/c1-4-25(5-2)20(28)19(17-12-7-6-8-13-17)31-18(27)15-26-21(29)23(24-22(26)30)14-10-9-11-16(23)3/h6-8,12-13,16,19H,4-5,9-11,14-15H2,1-3H3,(H,24,30)/t16-,19+,23-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NN=NN5C6=CC=CC=C6
InChI: InChI=1S/C33H26F5N5O4S/c1-17-23(16-48-33-40-41-42-43(33)22-8-3-2-4-9-22)46-32(47-30(17)19-12-10-18(15-44)11-13-19)20-6-5-7-21(14-20)39-31(45)24-25(34)27(36)29(38)28(37)26(24)35/h2-14,17,23,30,32,44H,15-16H2,1H3,(H,39,45)/t17-,23+,30+,32+/m1/s1
SMILES: C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C5)O)C
InChI: InChI=1S/C23H34O3/c1-21-10-4-3-5-16(21)6-7-19-18(21)8-11-22(2)17(9-12-23(19,22)25)15-13-20(24)26-14-15/h14,16-19,25H,3-13H2,1-2H3/t16-,17+,18-,19+,21-,22+,23-/m0/s1
SMILES: C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OC4=CC(=O)C=CC4=N2
InChI: InChI=1S/C18H17NO8/c20-7-14-15(22)16(23)17(24)18(27-14)25-9-2-4-11-13(6-9)26-12-5-8(21)1-3-10(12)19-11/h1-6,14-18,20,22-24H,7H2/t14-,15+,16+,17-,18-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)C(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C26H30O3/c1-18(2)22-15-14-19(3)16-24(22)29-26(28)23(17-20-10-6-4-7-11-20)25(27)21-12-8-5-9-13-21/h4-13,17-19,22,24H,14-16H2,1-3H3/t19-,22-,24-/m1/s1
SMILES: C1CCC(CC1)N2[C@@H]([C@H]2C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C21H22ClNO/c22-17-13-11-16(12-14-17)21(24)20-19(15-7-3-1-4-8-15)23(20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18-20H,2,5-6,9-10H2/t19-,20+,23?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C([C@]3(CC[C@@H]4[C@@]3(C[C@@H]([C@H]5[C@H]4CCC6=CC(=O)C=C[C@]56C)O)C)O)O)N=[N+]=[N-]
InChI: InChI=1S/C31H39N5O9/c1-15-13-36(28(42)33-26(15)40)23-11-20(34-35-32)22(45-23)14-44-27(41)25(39)31(43)9-7-19-18-5-4-16-10-17(37)6-8-29(16,2)24(18)21(38)12-30(19,31)3/h6,8,10,13,18-25,38-39,43H,4-5,7,9,11-12,14H2,1-3H3,(H,33,40,42)/t18-,19-,20?,21-,22?,23?,24+,25?,29-,30-,31-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1[C@@H](C=C([C@@]2(C3OCCO3)O)C4OCCO4)O)(C)C
InChI: InChI=1S/C19H30O6/c1-17(2)5-4-6-18(3)14(17)13(20)11-12(15-22-7-8-23-15)19(18,21)16-24-9-10-25-16/h11,13-16,20-21H,4-10H2,1-3H3/t13-,14+,18+,19+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-])O
InChI: InChI=1S/C14H17N3O5/c1-19-14-11(18)10(16-17-15)12-9(21-14)7-20-13(22-12)8-5-3-2-4-6-8/h2-6,9-14,18H,7H2,1H3/t9-,10+,11-,12-,13?,14+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CS7)Br)O
InChI: InChI=1S/C32H20BrCl2F5N2O6S/c1-48-17-8-11(7-16(33)26(17)43)19-13-4-5-14-18(28(45)41(27(14)44)10-12-3-2-6-49-12)15(13)9-31(34)29(46)42(30(47)32(19,31)35)25-23(39)21(37)20(36)22(38)24(25)40/h2-4,6-8,14-15,18-19,43H,5,9-10H2,1H3/t14-,15+,18-,19-,31+,32-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]1C5=C(C=C(C=C5OC)O)OC)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C28H26ClFN4O7/c1-28-16(24(36)33(25(28)37)13-5-6-18(30)17(29)9-13)12-19-15(7-8-32-26(38)31(2)27(39)34(19)32)23(28)22-20(40-3)10-14(35)11-21(22)41-4/h5-7,9-11,16,19,23,35H,8,12H2,1-4H3/t16-,19+,23+,28+/m0/s1
SMILES: C1CCN(CC1)[C@@]23[C@@H]4CC[C@@H](C4)C[C@@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H31NO/c30-27-26(22-12-6-2-7-13-22)25(21-10-4-1-5-11-21)24-19-20-14-15-23(18-20)28(24,27)29-16-8-3-9-17-29/h1-2,4-7,10-13,20,23-24H,3,8-9,14-19H2/t20-,23+,24+,28-/m0/s1
SMILES: CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@]1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
InChI: InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24?,26?,27-,28+,29+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C[C@]3([C@@H](O3)[C@@H]([C@H](C4=C[C@H]2OC4=O)N(C)C)O[Si](C)(C)C(C)(C)C)C)OC1=O
InChI: InChI=1S/C23H37NO6Si/c1-12-16-14-10-13(21(26)27-14)17(24(6)7)18(30-31(8,9)22(2,3)4)19-23(5,29-19)11-15(16)28-20(12)25/h10,12,14-19H,11H2,1-9H3/t12-,14-,15+,16+,17+,18-,19+,23+/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C\C(=O)O)C)C)C(C)C
InChI: InChI=1S/C33H50O4/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(37-31(36)15-14-30(34)35)16-18-32(24,5)29(26)17-19-33(27,28)6/h8-10,14-15,21-23,25-29H,7,11-13,16-20H2,1-6H3,(H,34,35)/b9-8+,15-14-/t22-,23-,25+,26+,27-,28+,29+,32+,33-/m1/s1
SMILES: C1CC[C@]2([C@]3(C1)CCC=CN3[C@@H](CO2)C4=CC=CC=C4)N
InChI: InChI=1S/C18H24N2O/c19-18-12-5-4-10-17(18)11-6-7-13-20(17)16(14-21-18)15-8-2-1-3-9-15/h1-3,7-9,13,16H,4-6,10-12,14,19H2/t16-,17-,18-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NN
InChI: InChI=1S/C10H14N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10,17-19H,1,11H2,(H,12,13,15)/t4-,6-,7-,10-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H21N5O3/c1-11-7-6-10-14(12(11)2)17-15-16(21(23)24)18-19(20(15)22)13-8-4-3-5-9-13/h3-5,8-9,11-12,14,22H,6-7,10H2,1-2H3/t11-,12+,14+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)/C(=C(\C)/OS(=O)(=O)C)/C(=O)OC)SC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H35NO7S2Si/c1-15(31-34(8,9)23(3,4)5)18-20(25)24(21(18)32-17-13-11-10-12-14-17)19(22(26)29-6)16(2)30-33(7,27)28/h10-15,18,21H,1-9H3/b19-16+/t15-,18+,21-/m1/s1
SMILES: COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)[C@H]3[C@@H](CNC[C@@H]3OCC4=CC5=CC=CC=C5C(=C4)OC)CO
InChI: InChI=1S/C35H41NO6/c1-38-32-11-6-4-9-28(32)24-40-16-7-17-41-30-14-12-26(13-15-30)35-29(22-37)20-36-21-34(35)42-23-25-18-27-8-3-5-10-31(27)33(19-25)39-2/h3-6,8-15,18-19,29,34-37H,7,16-17,20-24H2,1-2H3/t29-,34-,35-/m0/s1
SMILES: C[C@]12CC[C@H](CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)O
InChI: InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11?,12-,13-,14+,15+,16-,18+,19+/m1/s1
SMILES: C1=CC(=CC(=C1)F)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C14H12FNO4/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/p-1/t9-,10+,11+,12+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)CC3=CC(=C(C=C3)OC)OC)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5CCCCC5)C
InChI: InChI=1S/C43H61NO7/c1-30-11-9-21-42(2)37(35-18-15-31(25-34(45)17-14-30)26-36(35)41(47)33-12-7-6-8-13-33)20-22-43(42,48)29-44(23-10-24-49-3)40(46)28-32-16-19-38(50-4)39(27-32)51-5/h11,15-16,18-19,26-27,33-34,37,45,48H,6-10,12-14,17,20-25,28-29H2,1-5H3/t34-,37-,42-,43+/m0/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@H]2[C@@H]3CN(CC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C)OC
InChI: InChI=1S/C23H25N5O2/c1-4-9-30-19-6-5-15(10-20(19)29-3)21-18-12-28(2)8-7-16(18)17(11-24)22(27)23(21,13-25)14-26/h5-7,10,17-18,21,27H,4,8-9,12H2,1-3H3/t17-,18-,21+/m1/s1
SMILES: C1CC1NC2=N[C@H]3[C@H]([C@@H](C[C@@H]([C@H]3S2)C(=O)NC4=CC=CC=C4)O)O
InChI: InChI=1S/C17H21N3O3S/c21-12-8-11(16(23)18-9-4-2-1-3-5-9)15-13(14(12)22)20-17(24-15)19-10-6-7-10/h1-5,10-15,21-22H,6-8H2,(H,18,23)(H,19,20)/t11-,12+,13-,14-,15+/m0/s1
SMILES: CC1=CC(NC2=C1C=C(C=C2)OC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)(C)C
InChI: InChI=1S/C22H26N2O4/c1-13-11-22(2,3)23-18-9-8-14(10-17(13)18)28-19(25)12-24-20(26)15-6-4-5-7-16(15)21(24)27/h8-11,15-16,23H,4-7,12H2,1-3H3/t15-,16-/m0/s1
SMILES: CC1=CC(=C(C=C1C)OC)CN[C@H]2[C@H](N3CCC2C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H34N2O/c1-20-16-25(26(32-3)17-21(20)2)18-30-28-24-14-15-31(19-24)29(28)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,16-17,24,27-30H,14-15,18-19H2,1-3H3/t24?,28-,29-/m1/s1
SMILES: B1(N([C@H]([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C)Br
InChI: InChI=1S/C28H26BBrN2O4S2/c1-21-13-17-25(18-14-21)37(33,34)31-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)32(29(31)30)38(35,36)26-19-15-22(2)16-20-26/h3-20,27-28H,1-2H3/t27-,28-/m0/s1
SMILES: C[C@H]1[C@H](NC(=O)N1[C@H](CO)C2=CC=CC=C2)CCCCCC(=O)O
InChI: InChI=1S/C18H26N2O4/c1-13-15(10-6-3-7-11-17(22)23)19-18(24)20(13)16(12-21)14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16,21H,3,6-7,10-12H2,1H3,(H,19,24)(H,22,23)/t13-,15+,16+/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)[C@@H]([C@H]1O)C)CC[C@H](C)/C=C(\C)/I
InChI: InChI=1S/C14H23IO3/c1-8(7-9(2)15)5-6-12-10(3)13(16)11(4)14(17)18-12/h7-8,10-13,16H,5-6H2,1-4H3/b9-7+/t8-,10-,11+,12+,13-/m0/s1
SMILES: CC1=C[C@]23[C@@H]4CC[C@]5([C@@H](OC(=O)C5=C4C[C@@]2(C[C@H]1C(OC3=O)(C)C)O)C6=COC=C6)C
InChI: InChI=1S/C25H28O6/c1-13-9-25-16-5-7-23(4)18(20(26)30-19(23)14-6-8-29-12-14)15(16)10-24(25,28)11-17(13)22(2,3)31-21(25)27/h6,8-9,12,16-17,19,28H,5,7,10-11H2,1-4H3/t16-,17-,19+,23-,24+,25-/m1/s1
SMILES: CC1(O[C@]2(CC3=C([C@H]([C@@H]2O)OC)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(O1)(C)OC)C
InChI: InChI=1S/C26H28O10/c1-24(2)35-25(3,34-6)26(36-24)10-12-15(22(33-5)23(26)31)21(30)17-16(19(12)28)18(27)11-8-7-9-13(32-4)14(11)20(17)29/h7-9,22-23,28,30-31H,10H2,1-6H3/t22-,23+,25?,26+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@@H]([C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C46H54O7Si/c1-46(2,3)54(38-26-16-8-17-27-38,39-28-18-9-19-29-39)52-31-30-40(47)41-42(49-32-35-20-10-5-11-21-35)43(50-33-36-22-12-6-13-23-36)44(45(48-4)53-41)51-34-37-24-14-7-15-25-37/h5-29,40-45,47H,30-34H2,1-4H3/t40-,41+,42+,43-,44+,45-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]4([C@H]2C1=O)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C17H17N3O3/c1-19-14(21)12-11-7-4-8-20(11)17(13(12)15(19)22)9-5-2-3-6-10(9)18-16(17)23/h2-3,5-6,11-13H,4,7-8H2,1H3,(H,18,23)/t11-,12+,13+,17+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H20N2O7/c1-10(21-18(24)16-12-2-3-13(8-12)17(16)19(21)25)20(26)29-9-15(23)11-4-6-14(7-5-11)22(27)28/h4-7,10,12-13,16-17H,2-3,8-9H2,1H3/t10-,12-,13+,16-,17-/m0/s1