EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CO[Si](C)(C)C(C)(C)C)CCC4=CC(=O)CC[C@]34C
InChI: InChI=1S/C26H44O2Si/c1-24(2,3)29(6,7)28-17-19-9-11-22-21-10-8-18-16-20(27)12-14-25(18,4)23(21)13-15-26(19,22)5/h16,19,21-23H,8-15,17H2,1-7H3/t19-,21+,22+,23+,25+,26-/m1/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C45H43N3O7S/c1-29-38(28-56-45-48-39(32-15-8-4-9-16-32)41(55-45)33-17-10-5-11-18-33)53-43(54-40(29)34-23-21-31(27-49)22-24-34)35-19-12-20-36(26-35)46-44(51)47-37(42(50)52-2)25-30-13-6-3-7-14-30/h3-24,26,29,37-38,40,43,49H,25,27-28H2,1-2H3,(H2,46,47,51)/t29-,37-,38+,40+,43+/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)C4=CC=CC(=C4)CNC(=O)OCC=C)CSC5=NN=C(S5)C
InChI: InChI=1S/C33H35N3O5S2/c1-4-16-39-32(38)34-18-24-6-5-7-28(17-24)25-12-14-27(15-13-25)31-40-29(20-42-33-36-35-22(3)43-33)21(2)30(41-31)26-10-8-23(19-37)9-11-26/h4-15,17,21,29-31,37H,1,16,18-20H2,2-3H3,(H,34,38)/t21-,29+,30+,31+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](O2)[C@@]3(NC4=CC=CC=C4S3)C5=CC=CC=C5
InChI: InChI=1S/C21H17NOS/c1-3-9-15(10-4-1)19-20(23-19)21(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)24-21/h1-14,19-20,22H/t19-,20-,21+/m0/s1
SMILES: C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2OCOC)CC(=O)[C@@H]4[C@@]3(CCC[C@@H]4C#N)C
InChI: InChI=1S/C21H31NO3/c1-19-7-8-21(12-19)15(10-17(19)25-13-24-3)9-16(23)18-14(11-22)5-4-6-20(18,21)2/h14-15,17-18H,4-10,12-13H2,1-3H3/t14-,15+,17+,18-,19+,20+,21+/m1/s1
SMILES: C/C/1=C\[C@@H]2[C@@H]([C@@H]([C@H](/C(=C/CC1)/C=O)OC(=O)C(=C)C)O)C(=C)C(=O)O2
InChI: InChI=1S/C19H22O6/c1-10(2)18(22)25-17-13(9-20)7-5-6-11(3)8-14-15(16(17)21)12(4)19(23)24-14/h7-9,14-17,21H,1,4-6H2,2-3H3/b11-8+,13-7+/t14-,15+,16+,17+/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C32H44N4O9/c1-8-12-34-32(42)36-26-21-13-17(2)14-25(44-7)27(38)19(4)15-20(5)29(45-31(33)41)24(43-6)11-9-10-18(3)30(40)35-22(28(21)39)16-23(26)37/h8-11,15-17,19,24-25,27,29,38H,1,12-14H2,2-7H3,(H2,33,41)(H,35,40)(H2,34,36,42)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)NC(=O)N2C3CCN(CC3)CC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C23H29N3O/c27-23-24-21-7-3-4-8-22(21)26(23)20-11-13-25(14-12-20)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,9-10,15,20-22H,3-4,7-8,11-14,16H2,(H,24,27)/t21-,22+/m0/s1
SMILES: C[C@H]1C[C@H]([C@@]23[C@@H]([C@@]1(C)CCC(=C)C=C)C[C@@H](C=C2[C@@H](O[C@H]3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-15,19,22,27,29-30,32-33H,1-2,16-18,20H2,3-7H3/b15-14+/t22-,27+,29+,30+,32+,33+,34-,35-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)OC
InChI: InChI=1S/C16H24N2O4S/c1-12-6-4-5-7-15(12)17-16(19)13-8-10-14(11-9-13)23(20,21)18(2)22-3/h8-12,15H,4-7H2,1-3H3,(H,17,19)/t12-,15+/m0/s1
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)CC[C@@H](O3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C29H39ClO4/c1-2-3-4-5-6-7-8-9-20-31-25-16-12-23(13-17-25)29-32-21-28-27(34-29)19-18-26(33-28)22-10-14-24(30)15-11-22/h10-17,26-29H,2-9,18-21H2,1H3/t26-,27+,28-,29-/m1/s1
SMILES: C1CC(=O)[C@@H]2[C@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)O
InChI: InChI=1S/C21H18N4O3/c26-13-10-8-12(9-11-13)19-18-15(5-3-6-16(18)27)22-20(24-19)25-21-23-14-4-1-2-7-17(14)28-21/h1-2,4-5,7-11,18-19,26H,3,6H2,(H2,22,23,24,25)/t18-,19-/m1/s1
SMILES: C[C@]12C[C@@H](C3C4=C(CC[C@]3(C1CC[C@@H]2O)C=C)C=C(C=C4)OS(=O)(=O)N)C5=CC=C(C=C5)OCCN6CCCC6
InChI: InChI=1S/C32H42N2O5S/c1-3-32-15-14-23-20-25(39-40(33,36)37)10-11-26(23)30(32)27(21-31(2)28(32)12-13-29(31)35)22-6-8-24(9-7-22)38-19-18-34-16-4-5-17-34/h3,6-11,20,27-30,35H,1,4-5,12-19,21H2,2H3,(H2,33,36,37)/t27-,28?,29+,30?,31+,32+/m1/s1
SMILES: CC(=O)[C@@]12CCCC[C@H]1C[C@@H]3[C@@]2(CC[C@@H]4[C@H]3C[C@H]5[C@@]6([C@@]4(CC[C@@H](C6)O)C)O5)C
InChI: InChI=1S/C25H38O3/c1-15(26)24-9-5-4-6-16(24)12-20-18-13-21-25(28-21)14-17(27)7-10-23(25,3)19(18)8-11-22(20,24)2/h16-21,27H,4-14H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23+,24-,25-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C#N)O
InChI: InChI=1S/C19H18N2O3/c1-13(22)17-16(12-20)21(18(17)23)19(24,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17,22,24H,1H3/t13-,16-,17-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)SC1)C(=O)O
InChI: InChI=1S/C19H26N4O9S/c1-9(24)32-7-10-8-33-17-14(16(27)23(17)15(10)19(30)31)22-12(25)5-3-2-4-11(18(28)29)21-13(26)6-20/h11,14,17H,2-8,20H2,1H3,(H,21,26)(H,22,25)(H,28,29)(H,30,31)/t11-,14+,17+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)CC[C@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C3=CC=CC=N3)C(=O)O
InChI: InChI=1S/C26H37N5O7/c27-13-5-3-9-18(29-23(33)17-8-4-6-14-28-17)24(34)30-19(25(35)36)11-12-22(32)31-20-10-2-1-7-16(20)15-21(31)26(37)38/h4,6,8,14,16,18-21H,1-3,5,7,9-13,15,27H2,(H,29,33)(H,30,34)(H,35,36)(H,37,38)/t16-,18-,19+,20-,21-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]2CCCC[C@@]23[C@](C1=O)(C(=O)C4=CC=CC=C4O3)C)C5=CC=CS5
InChI: InChI=1S/C23H24O3S/c1-14-19(18-11-7-13-27-18)16-9-5-6-12-23(16)22(2,20(14)24)21(25)15-8-3-4-10-17(15)26-23/h3-4,7-8,10-11,13-14,16,19H,5-6,9,12H2,1-2H3/t14-,16+,19-,22+,23-/m0/s1
SMILES: CC(=CCC[C@@]1(CC[C@@]2([C@H]3CCC(=C(C)C)[C@H]([C@@]3(CC[C@]2(C1)C)C)CCCO)C)C)C
InChI: InChI=1S/C30H52O/c1-22(2)11-9-15-27(5)16-19-30(8)26-14-13-24(23(3)4)25(12-10-20-31)29(26,7)18-17-28(30,6)21-27/h11,25-26,31H,9-10,12-21H2,1-8H3/t25-,26+,27-,28+,29+,30-/m1/s1
SMILES: C#C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4=CC(=C(C=C4)F)F)O)O
InChI: InChI=1S/C17H13F2N5O3/c1-2-11-13(25)14(26)17(27-11)24-7-22-12-15(20-6-21-16(12)24)23-8-3-4-9(18)10(19)5-8/h1,3-7,11,13-14,17,25-26H,(H,20,21,23)/t11-,13-,14-,17-/m1/s1
SMILES: C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C
InChI: InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CSC6=NC=NN6
InChI: InChI=1S/C34H33N5O4S/c1-22-30(20-44-34-37-21-38-39-34)42-33(43-31(22)25-12-10-23(19-40)11-13-25)28-8-3-7-27(16-28)26-6-2-5-24(15-26)17-36-32(41)29-9-4-14-35-18-29/h2-16,18,21-22,30-31,33,40H,17,19-20H2,1H3,(H,36,41)(H,37,38,39)/t22-,30+,31+,33+/m1/s1
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)[C@H]3CCCC[C@H]3NS(=O)(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C24H33N3O2S/c1-19-9-8-14-23(20(19)2)26-15-17-27(18-16-26)24-13-7-6-12-22(24)25-30(28,29)21-10-4-3-5-11-21/h3-5,8-11,14,22,24-25H,6-7,12-13,15-18H2,1-2H3/t22-,24+/m1/s1
SMILES: CN1CC[C@@H]2[C@H](CC1)NC3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C20H21F3N2O2S/c1-25-10-8-16-17-12-15(6-7-18(17)24-19(16)9-11-25)28(26,27)14-4-2-13(3-5-14)20(21,22)23/h2-7,12,16,19,24H,8-11H2,1H3/t16-,19-/m0/s1
SMILES: C1=CC=C(C=C1)C(C[C@@H]2[C@@H]([C@@H]3[C@@H](O2)N4C=CC(=O)N=C4O3)O)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H24N2O4/c31-23-16-17-30-26-25(34-27(30)29-23)24(32)22(33-26)18-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26,32H,18H2/t22-,24+,25-,26-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]([C@H]1[C@@H](O1)CCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H44O3Si2/c1-23(2,3)28(7,8)25-18-21(27-29(9,10)24(4,5)6)22-20(26-22)17-16-19-14-12-11-13-15-19/h11-15,20-22H,16-18H2,1-10H3/t20-,21+,22+/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C44H40ClFN4O7/c1-2-57-36-5-3-4-33(39(36)51)38-31-18-19-32-37(42(54)49(40(32)52)30-16-14-29(15-17-30)48-20-22-56-23-21-48)34(31)24-35-41(53)50(47-28-12-10-27(46)11-13-28)43(55)44(35,38)25-6-8-26(45)9-7-25/h3-18,32,34-35,37-38,47,51H,2,19-24H2,1H3/t32-,34+,35-,37-,38+,44+/m0/s1
SMILES: CC1=C(N2[C@@H]3CCCC[C@H]3N=C2S1)C4=CC=C(C=C4)NC(=O)C(C)C
InChI: InChI=1S/C20H25N3OS/c1-12(2)19(24)21-15-10-8-14(9-11-15)18-13(3)25-20-22-16-6-4-5-7-17(16)23(18)20/h8-12,16-17H,4-7H2,1-3H3,(H,21,24)/t16-,17-/m1/s1
SMILES: CC(C)C[C@@H]1[C@H]2[C@@H](C(=O)N(C2=O)C)[C@@]3([NH2+]1)C4=CC=CC=C4N(C3=O)CC=C
InChI: InChI=1S/C21H25N3O3/c1-5-10-24-15-9-7-6-8-13(15)21(20(24)27)17-16(14(22-21)11-12(2)3)18(25)23(4)19(17)26/h5-9,12,14,16-17,22H,1,10-11H2,2-4H3/p+1/t14-,16+,17+,21+/m1/s1
SMILES: C[C@@]1([C@@H](C[C@@]1(CO)O)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C11H15N5O3/c1-10(18)6(2-11(10,19)3-17)16-5-15-7-8(12)13-4-14-9(7)16/h4-6,17-19H,2-3H2,1H3,(H2,12,13,14)/t6-,10+,11+/m1/s1
SMILES: C[C@@]12CC[C@H](C([C@H]1CC[C@H]3[C@H]2CC(=O)C=C3)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H40O2Si/c1-21(2,3)26(7,8)25-20-13-14-23(6)18-15-17(24)11-9-16(18)10-12-19(23)22(20,4)5/h9,11,16,18-20H,10,12-15H2,1-8H3/t16-,18+,19+,20+,23-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C(=CC=C4)F)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C39H28ClFN2O8/c40-20-8-4-9-21(16-20)43-35(47)28-18-27-23(14-15-25-31(27)36(48)42(34(25)46)22-12-13-24(37(49)50)30(44)17-22)32(26-10-5-11-29(41)33(26)45)39(28,38(43)51)19-6-2-1-3-7-19/h1-14,16-17,25,27-28,31-32,44-45H,15,18H2,(H,49,50)/t25-,27+,28-,31-,32+,39+/m0/s1
SMILES: C1COCCN1[C@H]2[C@@H](N(C(=N2)N3CCOCC3)C4=CC=C(C=C4)F)N5CCOCC5
InChI: InChI=1S/C21H30FN5O3/c22-17-1-3-18(4-2-17)27-20(25-7-13-29-14-8-25)19(24-5-11-28-12-6-24)23-21(27)26-9-15-30-16-10-26/h1-4,19-20H,5-16H2/t19-,20+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CN(CC(=O)NC2CCCCC2)CC(=O)NC3CCCCC3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O.[Na+]
InChI: InChI=1S/C23H41N3O16S3.Na/c1-38-23-22(42-45(35,36)37)21(41-44(32,33)34)20(40-43(29,30)31)17(39-23)12-26(13-18(27)24-15-8-4-2-5-9-15)14-19(28)25-16-10-6-3-7-11-16;/h15-17,20-23H,2-14H2,1H3,(H,24,27)(H,25,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);/q;+1/t17-,20-,21+,22+,23+;/m1./s1
SMILES: CC(=O)OC1=C(C2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)OC
InChI: InChI=1S/C21H26O4/c1-12(22)25-18-8-6-13-14-10-11-21(2)17(7-9-19(21)23)15(14)4-5-16(13)20(18)24-3/h6,8,14-15,17H,4-5,7,9-11H2,1-3H3/t14-,15-,17+,21+/m1/s1
SMILES: CC[C@@]12CC[C@@H](C[C@@]13CCN([C@@H]2CC4=C3C=C(C=C4)O)CC5CC5)C
InChI: InChI=1S/C23H33NO/c1-3-22-9-8-16(2)14-23(22)10-11-24(15-17-4-5-17)21(22)12-18-6-7-19(25)13-20(18)23/h6-7,13,16-17,21,25H,3-5,8-12,14-15H2,1-2H3/t16-,21+,22-,23+/m0/s1
SMILES: CCCC1([C@@H]([C@H](N[C@H]([C@@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)C)O
InChI: InChI=1S/C22H29NO/c1-4-15-22(24)16(2)20(18-11-7-5-8-12-18)23-21(17(22)3)19-13-9-6-10-14-19/h5-14,16-17,20-21,23-24H,4,15H2,1-3H3/t16-,17+,20+,21-,22?
SMILES: CCCN(CCC)C(=O)[C@@H]([C@H]1[C@@H](CC(O1)(C(=O)O)O)O)O.N
InChI: InChI=1S/C13H23NO7.H3N/c1-3-5-14(6-4-2)11(17)9(16)10-8(15)7-13(20,21-10)12(18)19;/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19);1H3/t8-,9-,10-,13?;/m1./s1
SMILES: C[C@H]1[C@H](CCN2[C@@H]1C3=CC(=C(C=C3CC2)OC)OC)CC4=NCCC5=CC(=C(C=C54)OC)OC.Cl.Cl
InChI: InChI=1S/C28H36N2O4.2ClH/c1-17-18(12-23-21-15-26(33-4)24(31-2)13-19(21)6-9-29-23)7-10-30-11-8-20-14-25(32-3)27(34-5)16-22(20)28(17)30;;/h13-18,28H,6-12H2,1-5H3;2*1H/t17-,18+,28-;;/m0../s1
SMILES: COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C17H24N2O4/c1-23-16-10-12(9-15(17(16)20)19(21)22)11-18-8-4-6-13-5-2-3-7-14(13)18/h9-10,13-14,20H,2-8,11H2,1H3/t13-,14+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](N(O1)CC2=CC=CC=C2)[C@H]3COC(O3)(C)C)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H27NO5S/c1-16-21(29(24,25)18-12-8-5-9-13-18)20(19-15-26-22(2,3)27-19)23(28-16)14-17-10-6-4-7-11-17/h4-13,16,19-21H,14-15H2,1-3H3/t16-,19-,20+,21-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]1/C=C/S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-16-13-14(16)11-12-21(18,19)15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/b12-11+/t14-,16+/m0/s1
SMILES: CCCCCCCCN(CC1=CC(=CC=C1)C(F)(F)F)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)C
InChI: InChI=1S/C35H48F3NO/c1-4-5-6-7-8-9-21-39(24-25-11-10-12-27(22-25)35(36,37)38)33-18-17-32-31-15-13-26-23-28(40-3)14-16-29(26)30(31)19-20-34(32,33)2/h10-12,14,16,22-23,30-33H,4-9,13,15,17-21,24H2,1-3H3/t30-,31-,32+,33+,34+/m1/s1
SMILES: COC1=CC2=C(C=C1)NC=C2CCN3C4=C(C=C3C(=O)N5CCCC5)[C@H]6[C@@H](C4)CN([C@@]6(CC7=CC=C(C=C7)F)C(=O)OC)C(=O)C8=CC=CC=C8
InChI: InChI=1S/C41H41FN4O5/c1-50-31-14-15-34-32(21-31)28(24-43-34)16-19-45-35-20-29-25-46(38(47)27-8-4-3-5-9-27)41(40(49)51-2,23-26-10-12-30(42)13-11-26)37(29)33(35)22-36(45)39(48)44-17-6-7-18-44/h3-5,8-15,21-22,24,29,37,43H,6-7,16-20,23,25H2,1-2H3/t29-,37+,41+/m0/s1
SMILES: CC[C@@]12C[C@@H]([C@@H](O1)[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SCC
InChI: InChI=1S/C25H28O6S/c1-3-25-15-20(32-4-2)22(31-25)21(29-24(27)18-13-9-6-10-14-18)19(30-25)16-28-23(26)17-11-7-5-8-12-17/h5-14,19-22H,3-4,15-16H2,1-2H3/t19-,20+,21-,22-,25+/m1/s1
SMILES: C[C@@]1([C@@H](OC(C1O)OP(=O)(NC2(CC2)C(=O)OC)OC3=CC=CC=C3)N4C=NC5=C4N=C(N=C5N(C)NS(=O)(=O)C)N)O
InChI: InChI=1S/C23H31N8O10PS/c1-22(34)15(32)18(41-42(35,40-13-8-6-5-7-9-13)28-23(10-11-23)20(33)38-3)39-19(22)31-12-25-14-16(26-21(24)27-17(14)31)30(2)29-43(4,36)37/h5-9,12,15,18-19,29,32,34H,10-11H2,1-4H3,(H,28,35)(H2,24,26,27)/t15?,18?,19-,22-,42?/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H]([C@H]1Br)OC(=O)NCC3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C17H22BrNO4/c1-10-12(18)14(15-13(10)22-17(2,3)23-15)21-16(20)19-9-11-7-5-4-6-8-11/h4-8,10,12-15H,9H2,1-3H3,(H,19,20)/t10-,12+,13-,14-,15-/m1/s1
SMILES: C[C@@H]1CCC/C(=N\O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/[C@@H]1Cl
InChI: InChI=1S/C23H30ClNOSi/c1-18-12-11-17-21(22(18)24)25-26-27(23(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,18,22H,11-12,17H2,1-4H3/b25-21+/t18-,22-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/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)O)(C)OC(=O)NC/C=C\C4=CC5=CC=CC=C5N=C4)C)C)OC(=O)O2)C
InChI: InChI=1S/C43H60N4O12/c1-11-32-43(8)37(57-41(52)59-43)25(4)33(46-53)23(2)21-42(7,58-40(51)44-18-14-15-28-20-29-16-12-13-17-30(29)45-22-28)36(26(5)34(48)27(6)38(50)55-32)56-39-35(49)31(47(9)10)19-24(3)54-39/h12-17,20,22-27,31-32,35-37,39,49,53H,11,18-19,21H2,1-10H3,(H,44,51)/b15-14-,46-33+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,42+,43-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=C6)Cl)Cl)C7=CC=C(C=C7)OC)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C45H42Cl2N4O7/c1-24-20-26(21-25(2)40(24)52)39-32-13-14-33-38(43(55)50(41(33)53)30-9-7-29(8-10-30)49-16-18-58-19-17-49)34(32)23-35-42(54)51(48-37-15-6-28(46)22-36(37)47)44(56)45(35,39)27-4-11-31(57-3)12-5-27/h4-13,15,20-22,33-35,38-39,48,52H,14,16-19,23H2,1-3H3/t33-,34+,35-,38-,39-,45+/m0/s1
SMILES: C[C@@]12CCC3[C@@](C1C=CC4=C5CC(CCC5(CCC24)C)(C)C(=O)O)(CC[C@@H](C3(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C
InChI: InChI=1S/C41H60O15/c1-37(2)21-10-13-40(5)19-9-12-38(3)15-16-39(4,36(51)52)17-20(38)18(19)7-8-22(40)41(21,6)14-11-23(37)53-35-31(27(45)26(44)30(55-35)33(49)50)56-34-28(46)24(42)25(43)29(54-34)32(47)48/h7-8,19,21-31,34-35,42-46H,9-17H2,1-6H3,(H,47,48)(H,49,50)(H,51,52)/t19?,21?,22?,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35-,38?,39?,40-,41-/m0/s1
SMILES: CC(=O)N1[C@H]2C[C@H]([C@@H]([C@@H]1C[C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H27NO7/c1-19(32)31-23-17-26(37-29(34)21-13-7-3-8-14-21)27(38-30(35)22-15-9-4-10-16-22)24(31)18-25(23)36-28(33)20-11-5-2-6-12-20/h2-16,23-27H,17-18H2,1H3/t23-,24-,25+,26+,27+/m0/s1
SMILES: COC1=CC=C(C=C1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)SC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)O
InChI: InChI=1S/C28H25NO7S/c1-33-17-13-11-16(12-14-17)27-34-15-21-24(36-27)23(30)22(28(35-21)37-18-7-3-2-4-8-18)29-25(31)19-9-5-6-10-20(19)26(29)32/h2-14,21-24,27-28,30H,15H2,1H3/t21-,22-,23-,24-,27?,28+/m1/s1
SMILES: CC(=O)N(CC=C)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OCC3=CC=C(C=C3)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H49NO18/c1-10-15-38(19(2)39)36-34(52-24(7)44)33(51-23(6)43)31(28(54-36)17-47-20(3)40)56-37-35(53-25(8)45)32(49-16-26-11-13-27(46-9)14-12-26)30(50-22(5)42)29(55-37)18-48-21(4)41/h10-14,28-37H,1,15-18H2,2-9H3/t28-,29-,30+,31-,32+,33+,34-,35-,36-,37+/m1/s1
SMILES: CC(=C[C@H]1[C@@H](C1(C)C)C(=O)NC2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])C
InChI: InChI=1S/C20H22N2O3/c1-12(2)11-15-18(20(15,3)4)19(23)21-16-9-10-17(22(24)25)14-8-6-5-7-13(14)16/h5-11,15,18H,1-4H3,(H,21,23)/t15-,18+/m0/s1
SMILES: C[C@H]1[C@H](OC2=C1C=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C
InChI: InChI=1S/C19H22N2O4S2/c1-13-14(2)25-18-15(13)5-3-6-16(18)19(22)20-8-10-21(11-9-20)27(23,24)17-7-4-12-26-17/h3-7,12-14H,8-11H2,1-2H3/t13-,14+/m0/s1
SMILES: CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\O)/C3=CSC(=N3)N)COC(=O)NCC(F)(F)F
InChI: InChI=1S/C22H25F3N6O9S2/c1-21(2,3)18(35)40-8-39-17(34)13-9(4-38-20(36)27-7-22(23,24)25)5-41-16-12(15(33)31(13)16)29-14(32)11(30-37)10-6-42-19(26)28-10/h6,12,16,37H,4-5,7-8H2,1-3H3,(H2,26,28)(H,27,36)(H,29,32)/b30-11-/t12-,16-/m1/s1
SMILES: CCCCCCCCCCCC(CC(=O)NC1=CC(=O)C2CCCN2C(=O)O1)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O
InChI: InChI=1S/C28H46N2O9/c1-3-4-5-6-7-8-9-10-11-13-19(38-27-26(35)25(34)24(33)18(2)37-27)16-22(32)29-23-17-21(31)20-14-12-15-30(20)28(36)39-23/h17-20,24-27,33-35H,3-16H2,1-2H3,(H,29,32)/t18-,19?,20?,24-,25+,26+,27-/m0/s1
SMILES: CCC(=O)N1CC[C@@]2(CCCC[C@@H]2[C@@H]1C3=CC=CC=C3OCC)O
InChI: InChI=1S/C20H29NO3/c1-3-18(22)21-14-13-20(23)12-8-7-10-16(20)19(21)15-9-5-6-11-17(15)24-4-2/h5-6,9,11,16,19,23H,3-4,7-8,10,12-14H2,1-2H3/t16-,19+,20-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)C7=C(C=CC(=C7)Br)O
InChI: InChI=1S/C36H26BrNO6/c1-18-15-29(40)27-17-25-23(30(32(27)33(18)41)26-16-21(37)9-14-28(26)39)12-13-24-31(25)36(44)38(35(24)43)22-10-7-20(8-11-22)34(42)19-5-3-2-4-6-19/h2-12,14-16,24-25,30-31,39H,13,17H2,1H3/t24-,25+,30+,31-/m0/s1
SMILES: CC1=CC(=CC(=C1)[C@@H]([C@H]2CCCC3=CC4=C(C[C@]23C)C=NN4C5=CC=C(C=C5)F)O)C
InChI: InChI=1S/C27H29FN2O/c1-17-11-18(2)13-19(12-17)26(31)24-6-4-5-21-14-25-20(15-27(21,24)3)16-29-30(25)23-9-7-22(28)8-10-23/h7-14,16,24,26,31H,4-6,15H2,1-3H3/t24-,26+,27+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC=C2C#CC3=C[C@H](C[C@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C41H76O3Si3/c1-31(20-18-26-40(8,9)44-45(11,12)13)36-24-25-37-33(21-19-27-41(36,37)10)23-22-32-28-34(42-46(14,15)38(2,3)4)30-35(29-32)43-47(16,17)39(5,6)7/h21,28,31,34-37H,18-20,24-27,29-30H2,1-17H3/t31-,34-,35+,36-,37+,41-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)N(CCOCCNC(=O)C1=CC=C(C=C1)C=C)C2=CC=C(C=C2)C[N+]3(CC[C@]45[C@@H]6C(=O)CC[C@]4([C@H]3CC7=C5C(=C(C=C7)OC)O6)O)C
InChI: InChI=1S/C43H51N3O8.C7H8O3S/c1-7-28-8-12-30(13-9-28)39(48)44-21-24-52-25-22-45(40(49)54-41(2,3)4)32-15-10-29(11-16-32)27-46(5)23-20-42-36-31-14-17-34(51-6)37(36)53-38(42)33(47)18-19-43(42,50)35(46)26-31;1-6-2-4-7(5-3-6)11(8,9)10/h7-17,35,38,50H,1,18-27H2,2-6H3;2-5H,1H3,(H,8,9,10)/t35-,38+,42+,43-,46?;/m1./s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H28N2O3/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)13-14-23-20(25)17-7-4-5-8-18(17)21(23)26/h9-12,17-18H,2-8,13-14H2,1H3,(H,22,24)/t17-,18+
SMILES: C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI: InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25?,28-,29-,30+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@H](N[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
InChI: InChI=1S/C11H20N2O7/c1-4(15)12-8-6(16)2-5(11(19)20)13-9(8)10(18)7(17)3-14/h5-10,13-14,16-18H,2-3H2,1H3,(H,12,15)(H,19,20)/t5-,6-,7+,8+,9+,10+/m0/s1
SMILES: C[C@@]12[C@H](CCC(=C)[C@H]1C[C@@H]([C@@]3(CC[C@@H](C3(C)C)[C@H]([C@H]2O)OCC4=CC=C(C=C4)OC)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H54O6Si/c1-21-11-16-27(39-40(9,10)30(2,3)4)32(7)25(21)19-26(34)33(36)18-17-24(31(33,5)6)28(29(32)35)38-20-22-12-14-23(37-8)15-13-22/h12-15,24-29,34-36H,1,11,16-20H2,2-10H3/t24-,25-,26+,27+,28-,29-,32+,33-/m1/s1
SMILES: C1CC2=C(C[C@H]1C(=O)O)C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C17H22O9/c18-6-12-13(20)14(21)15(22)17(26-12)25-11-5-9(19)4-8-3-7(16(23)24)1-2-10(8)11/h4-5,7,12-15,17-22H,1-3,6H2,(H,23,24)/t7-,12+,13+,14-,15+,17+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)O5)C)C
InChI: InChI=1S/C27H44O2/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24-25(29-24)15-27(22,5)21(18)11-12-26(19,20)4/h16-22,24-25H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,24+,25-,26-,27-/m1/s1
SMILES: C[C@]1(CO[C@@H]2[C@H]1OC3=CC(=C4C(=C23)OC5=C(C4=O)C=CC=C5O)OC)O
InChI: InChI=1S/C19H16O7/c1-19(22)7-24-17-13-11(25-18(17)19)6-10(23-2)12-14(21)8-4-3-5-9(20)15(8)26-16(12)13/h3-6,17-18,20,22H,7H2,1-2H3/t17-,18+,19+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)Br)O)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C35H32BrN3O5/c1-3-38-31(41)24-15-14-23-25(29(24)33(38)43)18-27-32(42)39(37-22-12-9-19(2)10-13-22)34(44)35(27,20-7-5-4-6-8-20)30(23)26-17-21(36)11-16-28(26)40/h4-14,16-17,24-25,27,29-30,37,40H,3,15,18H2,1-2H3/t24-,25+,27-,29-,30+,35+/m0/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)OS(=O)(=O)C5=CC=C(C=C5)C)C)C)C(C)C
InChI: InChI=1S/C36H54O3S/c1-8-27(24(2)3)12-11-26(5)32-17-18-33-31-16-13-28-23-29(39-40(37,38)30-14-9-25(4)10-15-30)19-21-35(28,6)34(31)20-22-36(32,33)7/h9-15,24,26-27,29,31-34H,8,16-23H2,1-7H3/b12-11+/t26-,27-,29+,31-,32-,33+,34+,35+,36-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC(=C(C=C5)O)OC)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C27H26BrNO6/c1-27(2,3)29-25(33)14-7-6-13-15(22(14)26(29)34)10-16-23(19(31)11-17(28)24(16)32)21(13)12-5-8-18(30)20(9-12)35-4/h5-6,8-9,11,14-15,21-22,30H,7,10H2,1-4H3/t14-,15+,21-,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSCC2=CC(=O)N3C=C(C=CC3=N2)C
InChI: InChI=1S/C19H25N3O2S/c1-13-7-8-17-20-15(9-19(24)22(17)10-13)11-25-12-18(23)21-16-6-4-3-5-14(16)2/h7-10,14,16H,3-6,11-12H2,1-2H3,(H,21,23)/t14-,16-/m1/s1
SMILES: CCCCCCCCCCOP(=O)(O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=CC=C4)N=[N+]=[N-]
InChI: InChI=1S/C44H58N3O19P/c1-6-7-8-9-10-11-12-19-24-58-67(54,55)66-43-35(46-47-45)38(64-42(53)32-22-17-14-18-23-32)36(34(62-43)26-57-41(52)31-20-15-13-16-21-31)65-44-40(61-30(5)51)39(60-29(4)50)37(59-28(3)49)33(63-44)25-56-27(2)48/h13-18,20-23,33-40,43-44H,6-12,19,24-26H2,1-5H3,(H,54,55)/t33-,34-,35+,36-,37+,38-,39+,40-,43-,44+/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C2=C(C(=O)[C@]34[C@]1([C@H](CC[C@H]3O4)C)C)OC=C2C
InChI: InChI=1S/C20H24O5/c1-6-10(2)18(22)24-17-14-11(3)9-23-15(14)16(21)20-13(25-20)8-7-12(4)19(17,20)5/h6,9,12-13,17H,7-8H2,1-5H3/b10-6-/t12-,13+,17+,19-,20-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C4=C3N=CN=C4Cl)Br)CN=[N+]=[N-])C
InChI: InChI=1S/C14H14BrClN6O3/c1-14(2)24-9-7(3-20-21-17)23-13(10(9)25-14)22-4-6(15)8-11(16)18-5-19-12(8)22/h4-5,7,9-10,13H,3H2,1-2H3/t7-,9-,10-,13-/m1/s1
SMILES: CC1=CC=CC=C1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C
InChI: InChI=1S/C36H39NO6/c1-26-14-12-13-21-31(26)42-36-33(37-27(2)38)35(41-24-30-19-10-5-11-20-30)34(40-23-29-17-8-4-9-18-29)32(43-36)25-39-22-28-15-6-3-7-16-28/h3-21,32-36H,22-25H2,1-2H3,(H,37,38)/t32-,33-,34+,35-,36+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)[C@@H]2[C@@H]3C[C@H](N2CC4=CC=CC=C4)[C@H]([C@H]3O)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H31NO9/c1-12(26)31-11-18-22(32-13(2)27)24(33-14(3)28)23(34-18)19-16-9-17(21(30)20(16)29)25(19)10-15-7-5-4-6-8-15/h4-8,16-24,29-30H,9-11H2,1-3H3/t16-,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1
SMILES: C[C@H]1[C@H](O1)/C=C/C(=O)[C@@]2([C@H](COC2=O)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C17H28O6Si/c1-11-13(23-11)7-8-14(18)17(20)12(9-21-15(17)19)10-22-24(5,6)16(2,3)4/h7-8,11-13,20H,9-10H2,1-6H3/b8-7+/t11-,12+,13+,17+/m0/s1
SMILES: C[C@@H]1[C@@H](NC(=O)N1)CCCCCC(=O)NC2=CC=CC=C2C3=CC=CC=C3
InChI: InChI=1S/C22H27N3O2/c1-16-19(25-22(27)23-16)13-6-3-7-15-21(26)24-20-14-9-8-12-18(20)17-10-4-2-5-11-17/h2,4-5,8-12,14,16,19H,3,6-7,13,15H2,1H3,(H,24,26)(H2,23,25,27)/t16-,19+/m1/s1