EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=C(C(=O)OCOC(=O)C(C)(C)C)N1[C@@H]([C@@H](C1=O)CC(=O)C)S[Hg]C2=CC=CC=C2)C
InChI: InChI=1S/C17H25NO6S.C6H5.Hg/c1-9(2)12(15(21)23-8-24-16(22)17(4,5)6)18-13(20)11(14(18)25)7-10(3)19;1-2-4-6-5-3-1;/h11,14,25H,7-8H2,1-6H3;1-5H;/q;;+1/p-1/t11-,14-;;/m1../s1
SMILES: COC1=CC(=CC(=C1)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])O3)OC
InChI: InChI=1S/C16H19NO6/c1-21-9-5-8(6-10(7-9)22-2)17-15(18)13-11-3-4-12(23-11)14(13)16(19)20/h5-7,11-14H,3-4H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-,12+,13-,14+/m1/s1
SMILES: CCCN1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=CC=NC=C4
InChI: InChI=1S/C19H19N3O3/c1-2-12-21-18(23)15-16(13-8-10-20-11-9-13)22(25-17(15)19(21)24)14-6-4-3-5-7-14/h3-11,15-17H,2,12H2,1H3/t15-,16-,17+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](N(C(=O)C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O6/c1-2-27-19(24)15-16(12-8-10-14(11-9-12)21(25)26)20(18(23)17(15)22)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3/t15-,16+/m1/s1
SMILES: COC1=C(C=C2C(=C1)C[C@@]3(C2=O)[C@@H]([C@H]4[C@@H]([C@H]3C5=CC=CC=C5)C(=O)C6=CC(=C(C=C46)OC)OC)C7=CC=CC=C7)OC
InChI: InChI=1S/C36H32O6/c1-39-26-15-22-19-36(35(38)23(22)16-27(26)40-2)32(20-11-7-5-8-12-20)30-24-17-28(41-3)29(42-4)18-25(24)34(37)31(30)33(36)21-13-9-6-10-14-21/h5-18,30-33H,19H2,1-4H3/t30-,31+,32-,33-,36-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)CN=[N+]=[N-])O)C
InChI: InChI=1S/C8H13N3O4/c1-8(2)14-6-5(12)4(3-10-11-9)13-7(6)15-8/h4-7,12H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)NC3=CC=C(C=C3)C(=O)N
InChI: InChI=1S/C16H20N2O2/c17-16(20)11-3-5-14(6-4-11)18-15(19)9-13-8-10-1-2-12(13)7-10/h3-6,10,12-13H,1-2,7-9H2,(H2,17,20)(H,18,19)/t10-,12+,13+/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC(=O)[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H28O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h12-14,17H,3-11H2,1-2H3/t12-,13-,14+,17+,18+,19-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CC(=S)NCC2=CC=C(C=C2)C3O[C@@H]([C@H]([C@@H](O3)C4=CC=C(C=C4)CO)C5=CC=CC=C5)CN6CC[C@H](C6)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C45H54N2O13S/c1-26(49)54-25-38-43(56-28(3)51)44(57-29(4)52)42(55-27(2)50)36(58-38)20-39(61)46-21-30-10-16-34(17-11-30)45-59-37(23-47-19-18-35(53)22-47)40(32-8-6-5-7-9-32)41(60-45)33-14-12-31(24-48)13-15-33/h5-17,35-38,40-45,48,53H,18-25H2,1-4H3,(H,46,61)/t35-,36+,37-,38-,40-,41+,42+,43-,44-,45?/m1/s1
SMILES: CC1=C(C=CC=C1Cl)NC(=O)[C@]23CC[C@](C2(C)C)(C(=O)[C@@H]3Br)C
InChI: InChI=1S/C18H21BrClNO2/c1-10-11(20)6-5-7-12(10)21-15(23)18-9-8-17(4,16(18,2)3)14(22)13(18)19/h5-7,13H,8-9H2,1-4H3,(H,21,23)/t13-,17-,18+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4C)C
InChI: InChI=1S/C24H26N2O3/c1-14-10-11-19-20(12-14)24(29)26(23(19)28)18-9-5-8-17(13-18)22(27)25-21-15(2)6-4-7-16(21)3/h4-9,13-14,19-20H,10-12H2,1-3H3,(H,25,27)/t14-,19-,20-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)/C=C/C(CCC3=CC=CC=C3)O)O
InChI: InChI=1S/C18H22O4/c19-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)22-17(15)11-16(14)20/h1-5,8-9,13-17,19-20H,6-7,10-11H2/b9-8+/t13?,14-,15-,16-,17+/m1/s1
SMILES: C1[C@H]([C@H](CS1(=O)=O)Cl)NC(=O)CNC(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H21ClN2O3S/c20-16-12-26(24,25)13-17(16)22-18(23)11-21-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,19,21H,11-13H2,(H,22,23)/t16-,17+/m0/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N/O)C/C(=N\OCC4=CC(=CC=C4)C(F)(F)F)/C5=CC(=C(C=C35)OC)O
InChI: InChI=1S/C27H29F3N2O4/c1-26-9-8-17-18-13-24(35-2)23(33)12-20(18)22(11-19(17)21(26)6-7-25(26)31-34)32-36-14-15-4-3-5-16(10-15)27(28,29)30/h3-5,10,12-13,17,19,21,33-34H,6-9,11,14H2,1-2H3/b31-25-,32-22+/t17-,19-,21+,26+/m1/s1
SMILES: C[C@H](CCCC(C)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)C5=CC=CC=C5NC6=CC=CC(=C6)C(F)(F)F)C)C
InChI: InChI=1S/C41H54F3NO2/c1-26(2)10-8-11-27(3)34-18-19-35-32-17-16-28-25-31(20-22-39(28,4)36(32)21-23-40(34,35)5)47-38(46)33-14-6-7-15-37(33)45-30-13-9-12-29(24-30)41(42,43)44/h6-7,9,12-16,24,26-27,31-32,34-36,45H,8,10-11,17-23,25H2,1-5H3/t27-,31+,32+,34-,35+,36+,39+,40-/m1/s1
SMILES: C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2CC[C@]5([C@@H]4CC[C@@]56CCC(=O)O6)C)OCCO3
InChI: InChI=1S/C24H34O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3,17-19H,4-15H2,1-2H3/t17-,18+,19-,21+,22+,23-/m1/s1
SMILES: C1[C@H]([C@H]([C@H]2[C@H](N1)[C@H]([C@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C9H17NO6/c11-2-4-7(14)8(15)5-9(16-4)6(13)3(12)1-10-5/h3-15H,1-2H2/t3-,4-,5-,6-,7+,8-,9-/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)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=NN=NN7C
InChI: InChI=1S/C33H42N6O4S/c1-20-28(19-44-32-36-37-38-39(32)2)42-30(43-29(20)26-7-5-22(18-40)6-8-26)27-9-3-21(4-10-27)17-34-31(41)35-33-14-23-11-24(15-33)13-25(12-23)16-33/h3-10,20,23-25,28-30,40H,11-19H2,1-2H3,(H2,34,35,41)/t20-,23?,24?,25?,28+,29+,30+,33?/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(=O)N
InChI: InChI=1S/C15H13ClN2O3/c16-12-6-5-8(7-11(12)13(17)19)18-14(20)9-3-1-2-4-10(9)15(18)21/h1-2,5-7,9-10H,3-4H2,(H2,17,19)/t9-,10+
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C[C@@H]4[C@H]([C@@H](OC(O4)C5=CC(=CC=C5)NS(=O)(=O)C6=CC=CC=C6)C7=CC=C(C=C7)CO)C8=CC=CC=C8
InChI: InChI=1S/C43H44N4O6S/c48-29-31-19-21-33(22-20-31)40-39(32-11-4-1-5-12-32)38(28-46-25-23-43(24-26-46)42(49)44-30-47(43)36-15-6-2-7-16-36)52-41(53-40)34-13-10-14-35(27-34)45-54(50,51)37-17-8-3-9-18-37/h1-22,27,38-41,45,48H,23-26,28-30H2,(H,44,49)/t38-,39-,40+,41?/m1/s1
SMILES: CC(=O)CC(=O)O[C@H]1[C@H]2[C@@H](CO[C@]13COC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C16H24O8/c1-9(17)6-11(18)21-13-12-10(22-15(4,5)23-12)7-19-16(13)8-20-14(2,3)24-16/h10,12-13H,6-8H2,1-5H3/t10-,12-,13+,16+/m1/s1
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)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C41H32ClFN2O7/c1-41-29(38(49)45(40(41)51)25-13-16-31(43)30(42)19-25)20-28-26(35(41)23-10-17-32(46)33(18-23)52-2)14-15-27-34(28)39(50)44(37(27)48)24-11-8-22(9-12-24)36(47)21-6-4-3-5-7-21/h3-14,16-19,27-29,34-35,46H,15,20H2,1-2H3/t27-,28+,29-,34-,35-,41+/m0/s1
SMILES: C1CN(CCC1(C2=CC=C(C=C2)F)O)[C@@H]3COC4=CC(=C(C=C4[C@@H]3O)F)O
InChI: InChI=1S/C20H21F2NO4/c21-13-3-1-12(2-4-13)20(26)5-7-23(8-6-20)16-11-27-18-10-17(24)15(22)9-14(18)19(16)25/h1-4,9-10,16,19,24-26H,5-8,11H2/t16-,19+/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)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)I)O
InChI: InChI=1S/C29H22BrCl2IN2O8/c1-43-19-9-13(8-18(33)22(19)36)21-15-5-6-16-20(17(15)10-28(31)26(41)34(11-30)27(42)29(21,28)32)24(38)35(23(16)37)14-4-2-3-12(7-14)25(39)40/h2-5,7-9,16-17,20-21,36H,6,10-11H2,1H3,(H,39,40)/t16-,17+,20-,21-,28+,29-/m0/s1
SMILES: C[C@H](C(=C(Cl)Cl)Cl)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C19H20Cl3NO3/c1-12(16(20)17(21)22)26-19(25)15-10-6-5-9-14(15)18(24)23-11-13-7-3-2-4-8-13/h2-8,12,14-15H,9-11H2,1H3,(H,23,24)/t12-,14+,15+/m1/s1
SMILES: COC1=C(C=C(C=C1)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=CC=C4)Cl
InChI: InChI=1S/C22H25ClN2O4S/c1-29-21-10-9-17(13-19(21)23)25(30(27,28)18-5-3-2-4-6-18)14-22(26)24-20-12-15-7-8-16(20)11-15/h2-6,9-10,13,15-16,20H,7-8,11-12,14H2,1H3,(H,24,26)/t15-,16+,20-/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CCC4=CC=CC=C4O)C(=O)N(C)[C@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C53H70N2O10/c1-7-9-16-30-53(31-17-10-8-2)63-46-35-41(34-45(48(46)65-53)62-51(61)40-26-19-23-37(32-40)22-18-25-39-24-14-15-27-44(39)57)50(60)55(6)43(33-38-20-12-11-13-21-38)49(59)54-42(36-56)28-29-47(58)64-52(3,4)5/h11-15,18-24,26-27,32,35,42-43,45-46,48,56-57H,7-10,16-17,25,28-31,33-34,36H2,1-6H3,(H,54,59)/t42-,43+,45+,46+,48-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C5=CC=CC=C5C=C4)OC
InChI: InChI=1S/C24H23NO2/c1-26-21-13-11-16(14-22(21)27-2)23-19-9-5-8-18(19)20-12-10-15-6-3-4-7-17(15)24(20)25-23/h3-8,10-14,18-19,23,25H,9H2,1-2H3/t18-,19+,23+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C30H24BrNO6/c1-14-10-22(33)26-21(27(14)34)13-19-17(24(26)20-11-15(31)12-23(38-2)28(20)35)8-9-18-25(19)30(37)32(29(18)36)16-6-4-3-5-7-16/h3-8,10-12,18-19,24-25,35H,9,13H2,1-2H3/t18-,19+,24+,25-/m0/s1
SMILES: CCC/C=C/CN1C[C@@H]2[C@H](C1)C2NC(=O)C(C3CC3)(C4=CC=CC=C4)O
InChI: InChI=1S/C22H30N2O2/c1-2-3-4-8-13-24-14-18-19(15-24)20(18)23-21(25)22(26,17-11-12-17)16-9-6-5-7-10-16/h4-10,17-20,26H,2-3,11-15H2,1H3,(H,23,25)/b8-4+/t18-,19+,20?,22?
SMILES: C1C[C@H]2C[C@H]1C[C@H]2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC4=CC=CC=C4
InChI: InChI=1S/C20H21ClN2O3S/c21-17-9-8-15(20(24)22-18-11-13-6-7-14(18)10-13)12-19(17)27(25,26)23-16-4-2-1-3-5-16/h1-5,8-9,12-14,18,23H,6-7,10-11H2,(H,22,24)/t13-,14-,18+/m0/s1
SMILES: C[C@H](CCC(=O)OCC[N+](C)(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCN)C)OC(=O)CCN)OC(=O)CCN)C
InChI: InChI=1S/C38H67N4O8/c1-24(7-10-32(43)47-20-19-42(4,5)6)27-8-9-28-36-29(23-31(38(27,28)3)50-35(46)14-18-41)37(2)15-11-26(48-33(44)12-16-39)21-25(37)22-30(36)49-34(45)13-17-40/h24-31,36H,7-23,39-41H2,1-6H3/q+1/t24-,25+,26-,27-,28+,29+,30-,31+,36+,37+,38-/m1/s1
SMILES: C[C@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O
InChI: InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19-/m1/s1
SMILES: CC(C)/C=C/[C@@H]([C@@H]1[C@H]([C@H](C(=O)O1)OC)OCC2=CC=CC=C2)OCOC
InChI: InChI=1S/C20H28O6/c1-14(2)10-11-16(25-13-22-3)17-18(19(23-4)20(21)26-17)24-12-15-8-6-5-7-9-15/h5-11,14,16-19H,12-13H2,1-4H3/b11-10+/t16-,17+,18+,19+/m0/s1
SMILES: CC1=CC=CC=C1C2=CC3=C4C(=C2)[C@H]5CN(CC[C@H]5N4CC3)C(=O)OC(C)(C)C
InChI: InChI=1S/C25H30N2O2/c1-16-7-5-6-8-19(16)18-13-17-9-12-27-22-10-11-26(24(28)29-25(2,3)4)15-21(22)20(14-18)23(17)27/h5-8,13-14,21-22H,9-12,15H2,1-4H3/t21-,22-/m1/s1
SMILES: CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](C(=C[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)/C=C/C3=CC=CC=C3)OC(=O)C)\C)/OC(=O)C)OC(=O)C
InChI: InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/b17-16+,31-18?,39-23-/t32-,33-,34-,35-,36-,40+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CC(C(=O)O2)(SC3=CC=CC=C3)SC4=CC=CC=C4
InChI: InChI=1S/C26H34O3S2Si/c1-24(2,3)32(4,5)29-22-17-12-18-25(22)19-26(23(27)28-25,30-20-13-8-6-9-14-20)31-21-15-10-7-11-16-21/h6-11,13-16,22H,12,17-19H2,1-5H3/t22-,25+/m1/s1
SMILES: CCC=CC(=O)N(C[C@@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C27H36N2O8/c1-3-4-7-22(32)29(14-17-6-5-10-36-17)20-13-19(27(34)28-8-9-30)23-18-11-16(15-31)12-21(35-2)25(18)37-26(23)24(20)33/h4,7,11-13,17,20,23-24,26,30-31,33H,3,5-6,8-10,14-15H2,1-2H3,(H,28,34)/t17-,20+,23-,24-,26-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@H](C(=C(N2)C)C(=O)OCC)C3=CC=CC=C3)C4=CC=CO4
InChI: InChI=1S/C26H27NO6/c1-4-31-25(29)20-15(3)27-18-14-17(19-12-9-13-33-19)22(26(30)32-5-2)24(28)23(18)21(20)16-10-7-6-8-11-16/h6-13,17,21-22,27H,4-5,14H2,1-3H3/t17-,21+,22-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4CNCCC5=CC(=C(C=C5)OC)OC)C
InChI: InChI=1S/C25H35NO5/c1-15-6-5-10-24(2)13-20-21(22-25(15,24)31-22)17(23(27)30-20)14-26-11-9-16-7-8-18(28-3)19(12-16)29-4/h7-8,12,15,17,20-22,26H,5-6,9-11,13-14H2,1-4H3/t15-,17+,20+,21+,22-,24+,25-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)O
InChI: InChI=1S/C23H17FN2O4/c24-15-8-10-16(11-9-15)25-22(28)19-20(14-6-12-18(27)13-7-14)26(30-21(19)23(25)29)17-4-2-1-3-5-17/h1-13,19-21,27H/t19-,20-,21+/m0/s1
SMILES: CC[Si](CC)(CC)OC1=C[C@@H](O[C@@H](C1)C2=COC(=N2)/C=C/C[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)/C(=C/C4=COC(=N4)C)/C)C)O[Si](C)(C)C(C)(C)C)C)C[C@H]5CC(=C)C[C@@H](O5)CC#CC(=O)OC
InChI: InChI=1S/C49H74N2O9Si2/c1-15-62(16-2,17-3)59-41-28-40(27-39-25-32(4)24-38(56-39)20-18-23-46(52)53-12)57-44(29-41)42-31-55-45(51-42)22-19-21-43-34(6)48(60-61(13,14)49(9,10)11)35(7)47(58-43)33(5)26-37-30-54-36(8)50-37/h19,22,26,28,30-31,34-35,38-40,43-44,47-48H,4,15-17,20-21,24-25,27,29H2,1-3,5-14H3/b22-19+,33-26+/t34-,35-,38-,39+,40-,43+,44-,47-,48-/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@@]2(C3=C(C=CC(=C3)F)NC2=O)[NH+]4[C@H]1CCC4
InChI: InChI=1S/C17H19FN2O3/c1-2-23-15(21)11-9-17(20-7-3-4-14(11)20)12-8-10(18)5-6-13(12)19-16(17)22/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,19,22)/p+1/t11-,14+,17+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@]3(O2)CO3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H26N2O5Si/c1-10-8-18(14(20)17-13(10)19)12-7-11(16(22-12)9-21-16)23-24(5,6)15(2,3)4/h8,11-12H,7,9H2,1-6H3,(H,17,19,20)/t11-,12+,16-/m0/s1
SMILES: C[C@H]1C/C=C/CC2=C(C(=CC=C2)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@H](C[C@H]1O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)CCCO
InChI: InChI=1S/C44H64O5Si2/c1-32(2)50(33(3)4,34(5)6)48-40-29-19-23-36-22-18-17-21-35(7)41(31-37(24-20-30-45)47-43(46)42(36)40)49-51(44(8,9)10,38-25-13-11-14-26-38)39-27-15-12-16-28-39/h11-19,23,25-29,32-35,37,41,45H,20-22,24,30-31H2,1-10H3/b18-17+/t35-,37-,41+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)N=CC3C(=N2)C[C@@H](CC3=O)C4=CC=CC=C4
InChI: InChI=1S/C19H22N2O/c22-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-20-16-8-4-5-9-17(16)21-18/h1-3,6-7,12,14-17H,4-5,8-11H2/t14-,15?,16-,17+/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)SC7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C53H59NO6S/c1-5-31-57-53-49(61-43-27-23-37-17-9-10-18-39(37)32-43)35-47(54-60-52(2,3)4)45-33-40(19-11-13-29-55)44(20-12-14-30-56)50(51(45)53)46-34-42(26-28-48(46)59-53)58-41-24-21-38(22-25-41)36-15-7-6-8-16-36/h5-10,15-18,21-28,32-34,40,44,49-51,55-56H,1,11-14,19-20,29-31,35H2,2-4H3/t40-,44+,49-,50+,51+,53+/m0/s1
SMILES: COC(=O)C1=C(C(=O)O[C@H]2C1=C[C@H]([C@@H]2C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC
InChI: InChI=1S/C24H16Cl4O6/c1-32-22(29)19-13-9-12(10-3-5-14(25)16(27)7-10)18(11-4-6-15(26)17(28)8-11)21(13)34-24(31)20(19)23(30)33-2/h3-9,12,18,21H,1-2H3/t12-,18-,21-/m0/s1
SMILES: CC1=C(C=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Br)C(=O)OC
InChI: InChI=1S/C21H20BrNO2/c1-12-15(21(24)25-2)10-11-18-16-4-3-5-17(16)20(23-19(12)18)13-6-8-14(22)9-7-13/h3-4,6-11,16-17,20,23H,5H2,1-2H3/t16-,17-,20+/m0/s1
SMILES: CCN1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C20H27N3O2S/c1-4-23-19(25)15-10-6-8-12-17(15)22-20(23)26-14(3)18(24)21-16-11-7-5-9-13(16)2/h6,8,10,12-14,16H,4-5,7,9,11H2,1-3H3,(H,21,24)/t13-,14-,16+/m0/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](C)[C@@H]2C(=O)C=C([C@@](O2)(CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)Br)C6=CC=CC=C6
InChI: InChI=1S/C42H48BrNO12/c1-26(39(47)44-27(2)35(55-41(44)48)30-18-11-6-12-19-30)34-31(46)22-33(43)42(49,56-34)20-13-21-51-38-37(53-25-29-16-9-5-10-17-29)36(32(23-45)54-40(38)50-3)52-24-28-14-7-4-8-15-28/h4-12,14-19,22,26-27,32,34-38,40,45,49H,13,20-21,23-25H2,1-3H3/t26-,27-,32-,34-,35-,36-,37+,38+,40+,42+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C3=CC=CC=C3Cl
InChI: InChI=1S/C19H23ClN2O4/c1-12-7-5-6-10-19(12)17(24)22(18(25)21-19)11-16(23)26-13(2)14-8-3-4-9-15(14)20/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,21,25)/t12-,13-,19-/m0/s1
SMILES: CC(C)CCOC1=C(C=C(C=N1)C(=O)N[C@@H]2CCCC[C@H]2O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C23H29ClN2O3/c1-15(2)11-12-29-23-19(16-7-9-18(24)10-8-16)13-17(14-25-23)22(28)26-20-5-3-4-6-21(20)27/h7-10,13-15,20-21,27H,3-6,11-12H2,1-2H3,(H,26,28)/t20-,21-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H]([C@@]([C@@H]2O1)(CO)O)OS(=O)(=O)C)OC)C
InChI: InChI=1S/C11H20O8S/c1-10(2)17-7-6(16-3)9(19-20(4,14)15)11(13,5-12)8(7)18-10/h6-9,12-13H,5H2,1-4H3/t6-,7-,8-,9-,11+/m1/s1
SMILES: C[C@@]12C(=C)[C@H]([C@@H](O1)C([C@@]23COC(O3)(C)C)(F)F)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C18H20F2O5S/c1-11-13(26(21,22)12-8-6-5-7-9-12)14-18(19,20)17(16(11,4)24-14)10-23-15(2,3)25-17/h5-9,13-14H,1,10H2,2-4H3/t13-,14-,16+,17-/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C(=O)[C@@H](O2)N3C=CC(=NC3=O)N)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C21H37N3O6Si2/c1-12(2)31(13(3)4)27-11-16-19(29-32(30-31,14(5)6)15(7)8)18(25)20(28-16)24-10-9-17(22)23-21(24)26/h9-10,12-16,19-20H,11H2,1-8H3,(H2,22,23,26)/t16-,19-,20-/m1/s1
SMILES: C[C@H](CC/C=C/OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C30H46O5/c1-19(9-7-8-16-33-6)25-12-13-26-24-11-10-22-17-23(34-20(2)31)18-28(35-21(3)32)30(22,5)27(24)14-15-29(25,26)4/h8,10,16,19,23-28H,7,9,11-15,17-18H2,1-6H3/b16-8+/t19-,23-,24+,25-,26+,27+,28+,29-,30+/m1/s1
SMILES: C1[C@@H]([C@@H]1C(=O)NNC(=O)C2=CC=CC=C2Br)C3=CC=CC=C3
InChI: InChI=1S/C17H15BrN2O2/c18-15-9-5-4-8-12(15)16(21)19-20-17(22)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H,19,21)(H,20,22)/t13-,14-/m1/s1
SMILES: C1=C[C@H]2[C@@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC5=NNN=C5C=C4
InChI: InChI=1S/C14H10N4O3/c19-13-11-9-3-4-10(21-9)12(11)14(20)18(13)6-1-2-7-8(5-6)16-17-15-7/h1-5,9-12H,(H,15,16,17)/t9-,10+,11+,12-
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)C)C=C(C=C3)OC(=O)C=C.C=CC(=O)N.Cl
InChI: InChI=1S/C22H25NO3.C3H5NO.ClH/c1-4-21(24)26-18-6-5-17-11-20-15(2)22(3,19(17)12-18)8-9-23(20)13-16-7-10-25-14-16;1-2-3(4)5;/h4-7,10,12,14-15,20H,1,8-9,11,13H2,2-3H3;2H,1H2,(H2,4,5);1H/t15-,20+,22+;;/m0../s1
SMILES: CC1=C[C@H]([C@@H](C1=O)C=C(C)C)C/C(=C/CC[C@@]2(CCC3=C(O2)C(=CC(=C3)O)C)C)/C
InChI: InChI=1S/C27H36O3/c1-17(2)12-24-22(14-19(4)25(24)29)13-18(3)8-7-10-27(6)11-9-21-16-23(28)15-20(5)26(21)30-27/h8,12,14-16,22,24,28H,7,9-11,13H2,1-6H3/b18-8+/t22-,24+,27-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC=CC=C3C(=O)N
InChI: InChI=1S/C18H22N2O4/c19-18(23)14-3-1-2-4-15(14)20-16(21)10-24-17(22)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H2,19,23)(H,20,21)/t11-,12+,13-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23-/m1/s1
SMILES: C/C=C\1/CC(=C)[C@](C(=O)OCC2=CC[NH+]3[C@@H]2[C@H](CC3)OC1=O)(C)O
InChI: InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/p+1/b12-4-/t14-,15-,18-/m0/s1
SMILES: C[C@]12CCC(=C([C@@H]1CCC(=C)C2)CO)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C14H19F3O4S/c1-9-3-4-11-10(8-18)12(5-6-13(11,2)7-9)21-22(19,20)14(15,16)17/h11,18H,1,3-8H2,2H3/t11-,13+/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@H]([C@@H]([C@@H]1C(=O)OC(C)(C)C)C2=CC(=CC=C2)O)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C23H32O7/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-9-8-10-14(24)11-13/h8-11,16-18,24,28H,12H2,1-7H3/t16-,17-,18+,23-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](N1C(=O)OC(C)(C)C)C(C2=CC=CC=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C22H27NO4/c1-15-19(17-13-9-6-10-14-17)26-20(18(24)16-11-7-5-8-12-16)23(15)21(25)27-22(2,3)4/h5-15,18-20,24H,1-4H3/t15-,18?,19-,20-/m0/s1
SMILES: C1C[C@@H]([C@H]2[C@H]([C@@H]1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C26H22ClNO2/c27-19-11-13-20(14-12-19)28-25(29)23-21(17-7-3-1-4-8-17)15-16-22(24(23)26(28)30)18-9-5-2-6-10-18/h1-14,21-24H,15-16H2/t21-,22+,23-,24-/m0/s1
SMILES: CC1=CC(=[NH+]C=C1)N[C@@]2([C@H](C(=C)NC2=O)C#N)C(F)(F)F
InChI: InChI=1S/C13H11F3N4O/c1-7-3-4-18-10(5-7)20-12(13(14,15)16)9(6-17)8(2)19-11(12)21/h3-5,9H,2H2,1H3,(H,18,20)(H,19,21)/p+1/t9-,12+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)[C@@H]3[C@@]2(C4=CC=CC=C4OC3=O)O
InChI: InChI=1S/C15H16O3/c16-14-13-9-5-1-2-6-10(9)15(13,17)11-7-3-4-8-12(11)18-14/h3-4,7-10,13,17H,1-2,5-6H2/t9-,10-,13+,15-/m1/s1
SMILES: C[C@]12[C@@H](CCC[C@]1(O2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H19NO5/c1-19-17(25-18(22)14-9-11-16(12-10-14)21(23)24)8-5-13-20(19,26-19)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3/t17-,19+,20+/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCCCNC(=O)C5CCCN5C(=O)C6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C42H58N2O6/c1-42-23-22-34-33-19-18-32(45)27-31(33)26-30(38(34)35(42)20-21-37(42)46)12-9-7-5-3-2-4-6-8-10-24-43-39(47)36-13-11-25-44(36)40(48)28-14-16-29(17-15-28)41(49)50/h14-19,27,30,34-38,45-46H,2-13,20-26H2,1H3,(H,43,47)(H,49,50)/t30?,34?,35?,36?,37-,38?,42-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1[N+]2=C(NC(=O)C(=C2)CO)O)COP(=O)(O)O)O
InChI: InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H3,11,15,16,17,18,19)/p+1/t6-,7+,8+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CO4
InChI: InChI=1S/C14H12N4O3/c19-12-8-4-1-2-5-9(8)13(20)18(12)14-15-11(16-17-14)10-6-3-7-21-10/h1-3,6-9H,4-5H2,(H,15,16,17)/t8-,9-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](C(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)O
InChI: InChI=1S/C20H24O5/c1-6-9(2)19(22)24-15-7-10(3)13-8-14(21)11(4)16(13)18-17(15)12(5)20(23)25-18/h6,13-18,21H,3-5,7-8H2,1-2H3/b9-6-/t13-,14-,15-,16-,17+,18+/m0/s1
SMILES: C1[C@H]([C@@H](O[C@@H]1NC2=CC=C(C=C2)C(=O)[O-])CO)O
InChI: InChI=1S/C12H15NO5/c14-6-10-9(15)5-11(18-10)13-8-3-1-7(2-4-8)12(16)17/h1-4,9-11,13-15H,5-6H2,(H,16,17)/p-1/t9-,10+,11+/m1/s1
SMILES: C[C@]12CCC(C[C@H]1CCC3C2CC[C@]4([C@@]3(CCC4C5=COC(=O)CC5)O)C)O
InChI: InChI=1S/C24H36O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h14,16-20,25,27H,3-13H2,1-2H3/t16-,17?,18?,19?,20?,22+,23-,24+/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@H]3C=CC(=O)[C@@H]2[C@@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5
InChI: InChI=1S/C21H16N2O3/c24-16-12-11-15-17-18(19(16)22(15)13-7-3-1-4-8-13)21(26)23(20(17)25)14-9-5-2-6-10-14/h1-12,15,17-19H/t15-,17+,18-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC
InChI: InChI=1S/C18H23N3O4/c1-12-5-3-4-10-18(12)16(23)21(17(24)20-18)11-15(22)19-13-6-8-14(25-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,24)/t12-,18-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N5CCS(=O)C5)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C32H33N5O12S2/c1-17-26-25(18(2)38)30(40)35(26)27(31(41)49-22-9-7-21(8-10-22)37(45)46)28(17)50-23-13-24(29(39)33-11-12-51(47)16-33)34(14-23)32(42)48-15-19-3-5-20(6-4-19)36(43)44/h3-10,17-18,23-26,38H,11-16H2,1-2H3/t17-,18-,23+,24+,25-,26-,51?/m1/s1
SMILES: CCCN([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)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C43H58N4O11/c1-5-21-46(42(51)54-8-4)38-27-36(45-56-28-29-15-17-31(18-16-29)47(52)53)34-25-30(13-9-11-22-48)33(14-10-12-23-49)39-35-26-32(57-41(50)44-7-3)19-20-37(35)58-43(38,40(34)39)55-24-6-2/h6,15-20,25-26,30,33,38-40,48-49H,2,5,7-14,21-24,27-28H2,1,3-4H3,(H,44,50)/t30-,33+,38-,39+,40+,43+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]3C[C@@H](CN3CC4=CC=CC=C4)O)OCC5=CC=CC=C5)C
InChI: InChI=1S/C25H31NO5/c1-25(2)30-23-22(28-16-18-11-7-4-8-12-18)21(29-24(23)31-25)20-13-19(27)15-26(20)14-17-9-5-3-6-10-17/h3-12,19-24,27H,13-16H2,1-2H3/t19-,20+,21+,22-,23+,24+/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OCCCC1=C(C=C(C=C1)F)C[C@H]2[C@H]3CC[C@H]([C@H]2COC(=O)C)O3
InChI: InChI=1S/C27H43FO4Si/c1-18(2)27(4,5)33(6,7)31-14-8-9-20-10-11-22(28)15-21(20)16-23-24(17-30-19(3)29)26-13-12-25(23)32-26/h10-11,15,18,23-26H,8-9,12-14,16-17H2,1-7H3/t23-,24+,25-,26-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H24ClN3O2S2/c19-15-3-5-16(6-4-15)26(23,24)22-9-7-21(8-10-22)18(25)20-17-12-13-1-2-14(17)11-13/h3-6,13-14,17H,1-2,7-12H2,(H,20,25)/t13-,14-,17-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@]3(CCN2CC4=CC=CC=C4)C5=CC=CC=C5NC3=C1C(=O)OC
InChI: InChI=1S/C24H26N2O2/c1-16-14-20-24(12-13-26(20)15-17-8-4-3-5-9-17)18-10-6-7-11-19(18)25-22(24)21(16)23(27)28-2/h3-11,16,20,25H,12-15H2,1-2H3/t16-,20+,24-/m1/s1
SMILES: C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@]34C)O)C)O)O
InChI: InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,15-18,22-24H,4-11H2,1-3H3/t13-,15-,16+,17-,18-,19-,20-,21-/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CN(C6=CC=CC=C65)C(=O)C)CCOCCOCCO
InChI: InChI=1S/C39H40ClN3O9/c1-4-51-39-29(13-15-49-17-18-50-16-14-44)30(32-22-42(24(3)45)34-8-6-5-7-27(32)34)21-35(52-39)36(46)41-26-10-12-33(23(2)19-26)43-37(47)28-11-9-25(40)20-31(28)38(43)48/h5-12,19-22,29-30,39,44H,4,13-18H2,1-3H3,(H,41,46)/t29-,30-,39+/m1/s1