EdisonScientific/glyph-datasets huggingface dataset:
SMILES: [3H]CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCC)O
InChI: InChI=1S/C27H45N3O19P2/c1-3-4-5-6-7-8-15(33)11-19(35)47-24-20(28-14(2)32)26(46-16(12-31)22(24)37)48-51(42,43)49-50(40,41)44-13-17-21(36)23(38)25(45-17)30-10-9-18(34)29-27(30)39/h9-10,15-17,20-26,31,33,36-38H,3-8,11-13H2,1-2H3,(H,28,32)(H,40,41)(H,42,43)(H,29,34,39)/t15-,16-,17-,20-,21-,22-,23-,24-,25-,26-/m1/s1/i2T
SMILES: C[C@]1(C=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C(F)(F)F)CCC2C(O2)(C)C
InChI: InChI=1S/C20H35F3O5SSi/c1-17(2,3)30(7,8)28-16-10-9-14(27-29(24,25)20(21,22)23)13-19(16,6)12-11-15-18(4,5)26-15/h13,15-16H,9-12H2,1-8H3/t15?,16-,19-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43
InChI: InChI=1S/C18H20N4O3/c23-15(9-12-8-10-5-6-11(12)7-10)19-22-18(25)16-13-3-1-2-4-14(13)17(24)21-20-16/h1-4,10-12H,5-9H2,(H,19,23)(H,21,24)(H,22,25)/t10-,11+,12-/m0/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]([C@@]2(C1=O)C)C5=CC=C(C=C5)OCCO
InChI: InChI=1S/C25H27N3O6/c1-14-12-20(30)18-13-19-17(8-9-27-23(32)26(3)24(33)28(19)27)21(25(18,2)22(14)31)15-4-6-16(7-5-15)34-11-10-29/h4-8,12,18-19,21,29H,9-11,13H2,1-3H3/t18-,19+,21-,25+/m0/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C(=O)[C@@H]2[C@@H](N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H21N3O2/c1-13-18(15-11-7-4-8-12-15)23(20(25)22(13)2)19(24)17-16(21-17)14-9-5-3-6-10-14/h3-13,16-18,21H,1-2H3/t13-,16-,17-,18-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)C)OCC[C@H](C#CBr)OC(=O)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H51BrO10Si2/c1-19(31)36-22(14-16-30)15-17-34-27-26(38-21(3)33)25(40-42(12,13)29(7,8)9)24(37-20(2)32)23(39-27)18-35-41(10,11)28(4,5)6/h22-27H,15,17-18H2,1-13H3/t22-,23+,24+,25-,26+,27+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Br)ON2C5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C31H25BrN2O5/c1-37-26-18-21(12-17-25(26)38-19-20-8-4-2-5-9-20)28-27-29(39-34(28)24-10-6-3-7-11-24)31(36)33(30(27)35)23-15-13-22(32)14-16-23/h2-18,27-29H,19H2,1H3/t27-,28+,29+/m1/s1
SMILES: C[C@]12CCC(=O)C(C1CC[C@@]3(C2C[C@]4(C(=C)[C@@]3(C(=O)[C@](C4=O)(C)O)C(=O)OC)C)C)(C)C
InChI: InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15?,16?,22-,23-,24+,25+,26+/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C[C@@]([C@@H]2C(=O)OC(C)C)(C)O)C(=O)OC(C)C
InChI: InChI=1S/C23H32O6/c1-7-15-8-10-16(11-9-15)18-19(21(25)28-13(2)3)17(24)12-23(6,27)20(18)22(26)29-14(4)5/h8-11,13-14,18-20,27H,7,12H2,1-6H3/t18-,19-,20+,23-/m1/s1
SMILES: CC1([C@@H]([C@@H](N[C@@H]([C@@H]1[N+](=O)[O-])C2=CC=CC=N2)C3=CC=CC=N3)[N+](=O)[O-])C
InChI: InChI=1S/C17H19N5O4/c1-17(2)15(21(23)24)13(11-7-3-5-9-18-11)20-14(16(17)22(25)26)12-8-4-6-10-19-12/h3-10,13-16,20H,1-2H3/t13-,14+,15+,16-
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C18H23F3N2O2/c1-2-12-10-23-7-6-13(12)8-16(23)11-25-17(24)22-15-5-3-4-14(9-15)18(19,20)21/h3-5,9,12-13,16H,2,6-8,10-11H2,1H3,(H,22,24)/t12-,13-,16+/m0/s1
SMILES: CCNC(=S)N1[C@@H]([C@H]2CCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H20FN3S/c1-2-22-20(25)24-19(14-7-10-15(21)11-8-14)17-12-9-13-5-3-4-6-16(13)18(17)23-24/h3-8,10-11,17,19H,2,9,12H2,1H3,(H,22,25)/t17-,19+/m0/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@H](C1)C(C3=C(C4=C(C(=CC(=C4OC)[Si](C)(C)C)OC)C(=C3C2=O)OC)OC)Br)OC
InChI: InChI=1S/C27H37BrO6Si/c1-27(34-6)11-10-14-15(13-27)22(28)19-20(23(14)29)25(32-4)18-16(30-2)12-17(35(7,8)9)24(31-3)21(18)26(19)33-5/h12,14-15,22H,10-11,13H2,1-9H3/t14-,15-,22?,27+/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](CC([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)C=O)C)\C)COC(=O)N
InChI: InChI=1S/C31H50N2O11/c1-8-24-21(15-41-31(32)40)11-16(2)9-10-22(35)17(3)12-20(14-34)29(18(4)23(36)13-25(37)43-24)44-30-28(39)26(33(6)7)27(38)19(5)42-30/h9-11,14,17-21,23-24,26-30,36,38-39H,8,12-13,15H2,1-7H3,(H2,32,40)/b10-9+,16-11+/t17-,18+,19-,20?,21-,23-,24-,26+,27-,28-,29-,30+/m1/s1
SMILES: C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@H]1OC3=CC=CC(=C3)OC
InChI: InChI=1S/C17H24O2/c1-11-15-8-12(17(15,2)3)9-16(11)19-14-7-5-6-13(10-14)18-4/h5-7,10-12,15-16H,8-9H2,1-4H3/t11-,12+,15-,16+/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)NC(=O)C4=CN=CC=C4)CN5CCC[C@H]5COC
InChI: InChI=1S/C31H37N3O5/c1-21-28(18-34-16-4-6-27(34)20-37-2)38-31(39-29(21)23-9-7-22(19-35)8-10-23)24-11-13-26(14-12-24)33-30(36)25-5-3-15-32-17-25/h3,5,7-15,17,21,27-29,31,35H,4,6,16,18-20H2,1-2H3,(H,33,36)/t21-,27+,28+,29+,31+/m1/s1
SMILES: C1C[NH+](CC[NH+]1CCO)[C@@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H27N3O3S/c28-17-16-26-12-14-27(15-13-26)24-21-11-5-7-18-6-4-10-20(22(18)21)23(24)25-31(29,30)19-8-2-1-3-9-19/h1-11,23-25,28H,12-17H2/p+2/t23-,24-/m0/s1
SMILES: CC(C)CCC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C(=O)C)C)C
InChI: InChI=1S/C27H42O3/c1-17(2)6-11-25(29)30-20-12-14-26(4)19(16-20)7-8-21-23-10-9-22(18(3)28)27(23,5)15-13-24(21)26/h9,17,19-21,23-24H,6-8,10-16H2,1-5H3/t19-,20+,21-,23-,24-,26-,27+/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C\3/C4=C(C=CC(=C4)Cl)NC3=O
InChI: InChI=1S/C17H14ClNO2/c1-9-6-12(9)16-5-3-11(21-16)8-14-13-7-10(18)2-4-15(13)19-17(14)20/h2-5,7-9,12H,6H2,1H3,(H,19,20)/b14-8-/t9-,12+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O
InChI: InChI=1S/C37H28N2O6/c1-18-6-5-7-23(33(18)41)30-22-14-15-24-31(25(22)17-26-32(30)28(40)16-19(2)34(26)42)37(44)39(36(24)43)21-12-10-20(11-13-21)35-38-27-8-3-4-9-29(27)45-35/h3-14,16,24-25,30-31,41H,15,17H2,1-2H3/t24-,25+,30+,31-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(=S)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H34O5S/c40-34-33(38-24-29-19-11-4-12-20-29)32(37-23-28-17-9-3-10-18-28)31(36-22-27-15-7-2-8-16-27)30(39-34)25-35-21-26-13-5-1-6-14-26/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)O[C@H](C5=CC=CC=C5)[C@H](C6=CC=CC=C6)N7CCCCC7)(C8=CC=CC=C8)C9=CC=CC=C9)C
InChI: InChI=1S/C50H50NO5P/c1-48(2)52-46-47(53-48)50(42-32-18-7-19-33-42,43-34-20-8-21-35-43)56-57(55-49(46,40-28-14-5-15-29-40)41-30-16-6-17-31-41)54-45(39-26-12-4-13-27-39)44(38-24-10-3-11-25-38)51-36-22-9-23-37-51/h3-8,10-21,24-35,44-47H,9,22-23,36-37H2,1-2H3/t44-,45+,46+,47+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)C2=NC=CC(=C2)C(=O)N)O)O
InChI: InChI=1S/C11H14N2O4/c1-5-8(14)9(15)10(17-5)7-4-6(11(12)16)2-3-13-7/h2-5,8-10,14-15H,1H3,(H2,12,16)/t5-,8-,9-,10+/m1/s1
SMILES: C[C@H]1[C@@H](CCO[C@H]1CC(=O)N2[C@H](COC2=O)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H27NO4/c1-17-21(19-10-6-3-7-11-19)12-13-28-22(17)15-23(26)25-20(16-29-24(25)27)14-18-8-4-2-5-9-18/h2-11,17,20-22H,12-16H2,1H3/t17-,20-,21+,22-/m0/s1
SMILES: CC(=O)O[C@@H]1CC2[C@]3(CC[C@H](C(C3CC[C@]2([C@]4(C1[C@H](CC4)C5(CC[C@H](O5)C(C)(C)O)C)C)C)(C)C)OC(=O)CC(=O)O)C
InChI: InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23?,24?,25+,26-,29?,32-,33+,34+,35?/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@H]([C@@H](C3=CN=CN23)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C28H28N2O3/c1-4-10-22(11-5-1)17-31-20-26-28(33-19-24-14-8-3-9-15-24)27(25-16-29-21-30(25)26)32-18-23-12-6-2-7-13-23/h1-16,21,26-28H,17-20H2/t26-,27+,28+/m0/s1
SMILES: CCCCCCCC(=O)N(CCCOC(C)C)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO
InChI: InChI=1S/C31H46N2O8/c1-5-6-7-8-9-11-26(36)33(13-10-15-40-20(2)3)24-18-23(31(38)32-12-14-34)27-22-16-21(19-35)17-25(39-4)29(22)41-30(27)28(24)37/h16-20,24,27-28,30,34,37H,5-15H2,1-4H3,(H,32,38)/t24-,27+,28+,30+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)CNC(=O)CCCCCC(=O)O)C5=CC=C(C=C5)CO
InChI: InChI=1S/C40H57N3O7/c1-40(2,3)42-38(48)34-22-21-29-9-7-8-10-33(29)43(34)25-32-23-35(30-17-15-28(26-44)16-18-30)50-39(49-32)31-19-13-27(14-20-31)24-41-36(45)11-5-4-6-12-37(46)47/h13-20,29,32-35,39,44H,4-12,21-26H2,1-3H3,(H,41,45)(H,42,48)(H,46,47)/t29-,32+,33-,34-,35-,39-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC[NH+]2CCCC2)C(=O)[C@@H]3CCC4=CC=CC=C4C3
InChI: InChI=1S/C24H34N2O3/c1-2-29-24(28)22-16-21(22)17-26(14-13-25-11-5-6-12-25)23(27)20-10-9-18-7-3-4-8-19(18)15-20/h3-4,7-8,20-22H,2,5-6,9-17H2,1H3/p+1/t20-,21-,22-/m1/s1
SMILES: CC1=C(C=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)OC(C)(C)C
InChI: InChI=1S/C34H42O8/c1-23-16-17-26(18-27(23)32(36)42-34(2,3)4)19-38-22-28-29(35)30(39-20-24-12-8-6-9-13-24)31(33(37-5)41-28)40-21-25-14-10-7-11-15-25/h6-18,28-31,33,35H,19-22H2,1-5H3/t28-,29-,30+,31-,33+/m1/s1
SMILES: C[Si](C)(C)O[C@@H]1[C@H](O[C@H]2CCCO[C@@H]2[C@H]1O[Si](C)(C)C)CC#N
InChI: InChI=1S/C16H31NO4Si2/c1-22(2,3)20-15-13(9-10-17)19-12-8-7-11-18-14(12)16(15)21-23(4,5)6/h12-16H,7-9,11H2,1-6H3/t12-,13+,14-,15+,16+/m0/s1
SMILES: C1C[C@@H]2[C@H]([C@H](C[C@H]1N2)C3=CC=C(C=C3)Cl)C4=CC(=NO4)C5=CC=CC=C5
InChI: InChI=1S/C22H21ClN2O/c23-16-8-6-14(7-9-16)18-12-17-10-11-19(24-17)22(18)21-13-20(25-26-21)15-4-2-1-3-5-15/h1-9,13,17-19,22,24H,10-12H2/t17-,18+,19+,22-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C32H26BrNO7/c1-40-25-12-16(13-26(41-2)30(25)37)8-9-19-18-10-11-20-28(32(39)34(31(20)38)17-6-4-3-5-7-17)21(18)14-22-27(19)24(35)15-23(33)29(22)36/h3-10,12-13,15,19-21,28,37H,11,14H2,1-2H3/t19-,20-,21+,28-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H22N2O3/c26-19(24-18-10-8-15(9-11-18)14-4-2-1-3-5-14)13-25-22(27)20-16-6-7-17(12-16)21(20)23(25)28/h1-5,8-11,16-17,20-21H,6-7,12-13H2,(H,24,26)/t16-,17+,20-,21+
SMILES: CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OCOC)C)O)C=C(C4=O)C)O)CO
InChI: InChI=1S/C32H50O8/c1-7-8-9-10-11-12-13-14-25(34)40-32-26(29(32,4)5)23-16-22(18-33)17-30(36)24(15-20(2)27(30)35)31(23,37)21(3)28(32)39-19-38-6/h15-16,21,23-24,26,28,33,36-37H,7-14,17-19H2,1-6H3/t21-,23+,24-,26-,28-,30-,31-,32-/m1/s1
SMILES: CC(C)(C)C1=NC(=NC=C1)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC4=CC=CC(=C4)C(=O)OC
InChI: InChI=1S/C23H29N5O4S/c1-23(2,3)17-8-9-24-21(28-17)26-15-11-31-19-16(12-32-18(15)19)27-22(33)25-14-7-5-6-13(10-14)20(29)30-4/h5-10,15-16,18-19H,11-12H2,1-4H3,(H,24,26,28)(H2,25,27,33)/t15-,16-,18+,19+/m0/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=C(O7)CO)C(=O)N(C5=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C39H33N3O9/c1-20-7-9-22(10-8-20)40-42-35(46)29-18-28-25(33(31-16-12-24(19-43)51-31)39(29,38(42)50)21-5-3-2-4-6-21)14-15-27-32(28)36(47)41(34(27)45)23-11-13-26(37(48)49)30(44)17-23/h2-14,16-17,27-29,32-33,40,43-44H,15,18-19H2,1H3,(H,48,49)/t27-,28+,29-,32-,33+,39+/m0/s1
SMILES: CC(=O)SCC1=C[C@H]2C[C@@]3(C(=CC(=O)O3)C([C@H]2CC1)(C)C)O
InChI: InChI=1S/C17H22O4S/c1-10(18)22-9-11-4-5-13-12(6-11)8-17(20)14(16(13,2)3)7-15(19)21-17/h6-7,12-13,20H,4-5,8-9H2,1-3H3/t12-,13-,17+/m0/s1
SMILES: CCOC(=O)C1=C(C=CC(=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)Cl
InChI: InChI=1S/C27H20ClNO4/c1-2-33-27(32)19-13-14(11-12-20(19)28)29-25(30)23-21-15-7-3-4-8-16(15)22(24(23)26(29)31)18-10-6-5-9-17(18)21/h3-13,21-24H,2H2,1H3/t21?,22?,23-,24+
SMILES: CC1=CC=C(C=C1)NCN2C(=O)[C@H]3C[C@H]([C@H](C[C@@H]3C2=O)Br)Br
InChI: InChI=1S/C16H18Br2N2O2/c1-9-2-4-10(5-3-9)19-8-20-15(21)11-6-13(17)14(18)7-12(11)16(20)22/h2-5,11-14,19H,6-8H2,1H3/t11-,12-,13-,14+/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)OC(=O)C5=CC=CC=C5)C)O)C
InChI: InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-28,33H,10-19H2,1-4H3/t20-,22+,23-,24-,25-,26+,27-,28+,31+,32-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@@H](CC3SCCCS3)OS(=O)(=O)C)C
InChI: InChI=1S/C17H30O7S3/c1-16(2)20-10-12(21-16)15-14(22-17(3,4)23-15)11(24-27(5,18)19)9-13-25-7-6-8-26-13/h11-15H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C21H34O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h5,15-18,22-23H,4,6-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m0/s1
SMILES: C=CCCCO[C@H]1[C@H]2[C@H]([C@@H]([C@H](O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCO2
InChI: InChI=1S/C27H34O6/c1-2-3-10-15-31-27-26-25(29-16-17-30-26)24(32-19-22-13-8-5-9-14-22)23(33-27)20-28-18-21-11-6-4-7-12-21/h2,4-9,11-14,23-27H,1,3,10,15-20H2/t23-,24-,25+,26-,27-/m1/s1
SMILES: CC(=O)OC/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C5=CCC(=O)N([C@@H]53)C6=CC=CC=C46
InChI: InChI=1S/C23H24N2O3/c1-14(26)28-11-8-15-13-24-10-9-23-18-4-2-3-5-19(18)25-21(27)7-6-16(22(23)25)17(15)12-20(23)24/h2-6,8,17,20,22H,7,9-13H2,1H3/b15-8-/t17-,20-,22-,23+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C23H35N3O3S/c1-18-7-8-19(2)22(15-18)30(28,29)26-13-11-24(12-14-26)17-23(27)25-10-9-20-5-3-4-6-21(20)16-25/h7-8,15,20-21H,3-6,9-14,16-17H2,1-2H3/p+1/t20-,21-/m0/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@H]2[C@@H]3[C@@H](C[C@H](ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O
InChI: InChI=1S/C29H33NO7/c1-28(2,3)35-27(32)25-23-24-20(33-26(23)31)17-22(36-30(24)37-25)34-21-15-10-16-29(21,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-25H,10,15-17H2,1-3H3/t20-,21?,22+,23-,24+,25-/m1/s1
SMILES: C1CCC[C@H]([C@@H](CC1)SC2=CC=CC=C2)S(=O)(=O)C(F)(F)F
InChI: InChI=1S/C15H19F3O2S2/c16-15(17,18)22(19,20)14-11-7-2-1-6-10-13(14)21-12-8-4-3-5-9-12/h3-5,8-9,13-14H,1-2,6-7,10-11H2/t13-,14-/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)C(C)(C)C)C5=CC=CC=C5OCCO
InChI: InChI=1S/C29H31NO6/c1-15-13-21(32)20-14-19-16(9-10-18-24(19)28(35)30(27(18)34)29(2,3)4)23(25(20)26(15)33)17-7-5-6-8-22(17)36-12-11-31/h5-9,13,18-19,23-24,31H,10-12,14H2,1-4H3/t18-,19+,23+,24-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C20H24O5/c21-12-18-20(24-14-16-9-5-2-6-10-16)17(11-19(22)25-18)23-13-15-7-3-1-4-8-15/h1-10,17-22H,11-14H2/t17-,18-,19+,20+/m0/s1
SMILES: C1C[C@@H]2[C@@H]3C[C@H](CN2C(=O)C1)[C@H]4C[C@H](CCN4C3)O
InChI: InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12+,13-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=NN=C2SC[C@@H](C)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H26N4OS/c1-14(12-21)13-26-20-23-22-19(16-8-10-17(25-3)11-9-16)24(20)18-7-5-4-6-15(18)2/h8-11,14-15,18H,4-7,13H2,1-3H3/t14-,15+,18+/m0/s1
SMILES: COC1=CC=CC(=C1OC)[C@H]2[C@@H]3CC4=CC=CC=C4[C@@H]3C5=C(N2)C=CC(=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H22N2O4/c1-29-21-9-5-8-17(24(21)30-2)23-19-12-14-6-3-4-7-16(14)22(19)18-13-15(26(27)28)10-11-20(18)25-23/h3-11,13,19,22-23,25H,12H2,1-2H3/t19-,22-,23+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(N2C)C(F)(F)F
InChI: InChI=1S/C14H20F3N5O2S/c1-8-5-3-4-6-9(8)18-12(24)19-10(23)7-25-13-21-20-11(22(13)2)14(15,16)17/h8-9H,3-7H2,1-2H3,(H2,18,19,23,24)/t8-,9-/m0/s1
SMILES: C[C@@H](C=O)[C@]1(CCC2C(C1=O)CC[C@H]3[C@@]2(CC[C@@H](C3)OC(=O)C)C)C
InChI: InChI=1S/C21H32O4/c1-13(12-22)20(3)10-8-18-17(19(20)24)6-5-15-11-16(25-14(2)23)7-9-21(15,18)4/h12-13,15-18H,5-11H2,1-4H3/t13-,15+,16-,17?,18?,20+,21-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(S2)Cl
InChI: InChI=1S/C16H22ClNO3S/c1-9-5-4-6-12(10(9)2)18-15(19)11(3)21-16(20)13-7-8-14(17)22-13/h7-12H,4-6H2,1-3H3,(H,18,19)/t9-,10+,11+,12-/m0/s1
SMILES: CC1=CC=CC=[N+]1C/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSC4=CC=CC=C4)SC2)C(=O)[O-]
InChI: InChI=1S/C24H23N3O4S2/c1-16-8-5-6-12-26(16)13-7-9-17-14-33-23-20(22(29)27(23)21(17)24(30)31)25-19(28)15-32-18-10-3-2-4-11-18/h2-12,20,23H,13-15H2,1H3,(H-,25,28,30,31)/b9-7+/t20-,23-/m1/s1
SMILES: C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@H]([C@@H]4CC(=O)O3)C)OC)OC(=O)C5=CC6=C(C=C5)OCO6)C)C)OC(=O)[C@](C7=CC=CC=C7)(C(F)(F)F)OC
InChI: InChI=1S/C39H43F3O11/c1-19-14-27(51-35(46)38(48-6,39(40,41)42)22-10-8-7-9-11-22)33(44)37(4)23(19)16-28-36(3)24(17-29(43)52-28)20(2)30(47-5)31(32(36)37)53-34(45)21-12-13-25-26(15-21)50-18-49-25/h7-13,15,19-20,23-24,27-28,30-32H,14,16-18H2,1-6H3/t19-,20-,23+,24+,27+,28-,30+,31-,32+,36-,37+,38-/m1/s1
SMILES: C[C@H]1/C=C/C([C@@H]([C@@H]([C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2(C1=O)O)(C)O)OC(=O)C)OC(=O)C(C)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C)(C)C
InChI: InChI=1S/C37H48O13/c1-19(2)33(42)49-27-21(4)28(50-34(43)25-14-12-11-13-15-25)29(46-22(5)38)32(48-24(7)40)35(8,9)17-16-20(3)30(41)37(45)18-36(10,44)31(26(27)37)47-23(6)39/h11-17,19-20,26-29,31-32,44-45H,4,18H2,1-3,5-10H3/b17-16+/t20-,26-,27-,28-,29+,31+,32+,36+,37+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2C(=C(C(=N2)C)S(=O)(=O)N(C)CC3=CC=CO3)C
InChI: InChI=1S/C20H30N4O4S/c1-14-8-5-6-10-18(14)21-19(25)13-24-16(3)20(15(2)22-24)29(26,27)23(4)12-17-9-7-11-28-17/h7,9,11,14,18H,5-6,8,10,12-13H2,1-4H3,(H,21,25)/t14-,18-/m1/s1
SMILES: CC1=CC(=C(C=C1)C(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C20H25N3O4/c1-12-7-8-14(13(2)11-12)18(25)22-21-17(24)9-10-23-19(26)15-5-3-4-6-16(15)20(23)27/h7-8,11,15-16H,3-6,9-10H2,1-2H3,(H,21,24)(H,22,25)/t15-,16+
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)C(C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H45NO4Si2/c1-18(30-32(8,9)25(2,3)4)22-20(27-24(22)29)17-21(28)23(19-15-13-12-14-16-19)31-33(10,11)26(5,6)7/h12-16,18,20,22-23H,17H2,1-11H3,(H,27,29)/t18-,20-,22-,23?/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\NCC(=O)O)/C4=C(C3=O)O)COC)C)C
InChI: InChI=1S/C25H29NO10/c1-11(27)35-14-7-24(2)13(5-6-15(24)28)18-20(14)25(3)16(10-34-4)36-23(33)12(8-26-9-17(29)30)19(25)22(32)21(18)31/h8,13-14,16,26,32H,5-7,9-10H2,1-4H3,(H,29,30)/b12-8-/t13-,14+,16+,24-,25-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)C
InChI: InChI=1S/C23H31N3O5/c1-14-8-10-17(11-9-14)23(4)21(29)26(22(30)25-23)12-20(28)31-13-19(27)24-18-7-5-6-15(2)16(18)3/h8-11,15-16,18H,5-7,12-13H2,1-4H3,(H,24,27)(H,25,30)/t15-,16-,18+,23+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC=C(C=C3)O)CO)OC/C=C(\C)/C/C=C/C(C)(C)O)O)O)O)O
InChI: InChI=1S/C31H44O13/c1-17(6-5-14-31(3,4)39)13-15-40-29-26(38)28(44-30-25(37)24(36)23(35)18(2)41-30)27(21(16-32)42-29)43-22(34)12-9-19-7-10-20(33)11-8-19/h5,7-14,18,21,23-30,32-33,35-39H,6,15-16H2,1-4H3/b12-9+,14-5+,17-13+/t18-,21+,23-,24+,25+,26+,27+,28?,29+,30-/m0/s1
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-5-2-11(7-15(16)28)3-6-19(29)35-17(23(33)34)9-12-1-4-13(26)14(27)8-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3+/t17-,18-,20-,21+,22-,24-/m1/s1
SMILES: CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N=[N+]=[N-])NC(=O)C
InChI: InChI=1S/C24H36N4O10/c1-3-9-35-23-18(26-13(2)30)17(27-28-25)22(16(37-23)12-34-11-14-7-5-4-6-8-14)38-24-21(33)20(32)19(31)15(10-29)36-24/h4-8,15-24,29,31-33H,3,9-12H2,1-2H3,(H,26,30)/t15-,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)O)Cl
InChI: InChI=1S/C15H12ClNO4/c16-12-7-8(5-6-11(12)15(20)21)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-2,5-7,9-10H,3-4H2,(H,20,21)/t9-,10+
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@]3(C2=O)[Se][C@]4([Se]3=O)[C@H]5CC[C@@](C4=O)(C5(C)C)C
InChI: InChI=1S/C20H28O3Se2/c1-15(2)11-7-9-17(15,5)13(21)19(11)24-20(25(19)23)12-8-10-18(6,14(20)22)16(12,3)4/h11-12H,7-10H2,1-6H3/t11-,12-,17-,18-,19-,20+,25?/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C=O)O)O)O
InChI: InChI=1S/C13H16O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2/t9-,10+,11+,12-,13-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CN(CC12CC2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F
InChI: InChI=1S/C24H26ClF2N3O5/c1-23(2,3)35-22(34)28-16-9-29(10-24(16)4-5-24)19-14(27)6-11-18(17(19)25)30(15-7-13(15)26)8-12(20(11)31)21(32)33/h6,8,13,15-16H,4-5,7,9-10H2,1-3H3,(H,28,34)(H,32,33)/t13-,15+,16-/m0/s1
SMILES: CC1=CC2=C(C3=C1C4=CC=CC=C4N3C5[C@H]([C@@H]([C@@H]([C@@H](O5)OC)OC)O)O)NC6=CC=CC=C62
InChI: InChI=1S/C26H26N2O5/c1-13-12-16-14-8-4-6-10-17(14)27-20(16)21-19(13)15-9-5-7-11-18(15)28(21)25-23(30)22(29)24(31-2)26(32-3)33-25/h4-12,22-27,29-30H,1-3H3/t22-,23-,24-,25?,26+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C4=NC(=NO4)C5=CC=CC=C5)N3C
InChI: InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20+,21-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6OC)O)OC)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C43H37Cl2N3O9/c1-21(49)22-5-10-25(11-6-22)47-39(51)29-15-14-28-30(36(29)41(47)53)20-31-40(52)48(46-33-16-9-24(44)17-32(33)45)42(54)43(31,23-7-12-27(55-2)13-8-23)38(28)37-34(56-3)18-26(50)19-35(37)57-4/h5-14,16-19,29-31,36,38,46,50H,15,20H2,1-4H3/t29-,30+,31-,36-,38+,43+/m0/s1
SMILES: C1CCC(CC1)[C@@H]([C@@H]2[C@H](O2)CO)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H27O3P/c23-16-20-21(25-20)22(17-10-4-1-5-11-17)26(24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-23H,1,4-5,10-11,16H2/t20-,21+,22+/m1/s1
SMILES: CC(C)[C@H]1CO[C@@]2(N1)[C@@]3([C@@](O3)(C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C28H29NO3/c1-20(2)24-19-30-28(29-24)25(3)27(31-25,23-17-11-6-12-18-23)26(32-28,21-13-7-4-8-14-21)22-15-9-5-10-16-22/h4-18,20,24,29H,19H2,1-3H3/t24-,25+,27-,28+/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CC(C)C
InChI: InChI=1S/C21H27N3O3/c1-5-12(4)24-18(25)16-15(10-11(2)3)23-21(17(16)19(24)26)13-8-6-7-9-14(13)22-20(21)27/h6-9,11-12,15-17,23H,5,10H2,1-4H3,(H,22,27)/p+1/t12-,15+,16+,17-,21+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=CC=C3OC
InChI: InChI=1S/C20H25N3O6/c1-13-7-5-6-10-20(13)18(26)23(19(27)22-20)11-17(25)29-12-16(24)21-14-8-3-4-9-15(14)28-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,21,24)(H,22,27)/t13-,20+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC=CS4)C)[C@H](C)C(=O)NCCOC)O
InChI: InChI=1S/C24H33N3O4S2/c1-13(21(29)25-9-10-31-4)15-7-8-24(3)12-17-19(14(2)18(24)20(15)28)26-23(33-17)27-22(30)16-6-5-11-32-16/h5-6,11,13-15,18,20,28H,7-10,12H2,1-4H3,(H,25,29)(H,26,27,30)/t13-,14-,15+,18+,20-,24-/m0/s1
SMILES: CCOC(=O)[C@@H]1C=C[C@@H]2CCC(=C3[C@@H]2[C@@H]1C=C3)C
InChI: InChI=1S/C16H20O2/c1-3-18-16(17)14-7-6-11-5-4-10(2)12-8-9-13(14)15(11)12/h6-9,11,13-15H,3-5H2,1-2H3/t11-,13+,14+,15+/m0/s1
SMILES: C[Si](C)(C)C(=O)[C@@H]1C2=CC=CC=C2C[C@@]1(O)[Si](C)(C)C
InChI: InChI=1S/C16H26O2Si2/c1-19(2,3)15(17)14-13-10-8-7-9-12(13)11-16(14,18)20(4,5)6/h7-10,14,18H,11H2,1-6H3/t14-,16+/m0/s1
SMILES: C1CS(=O)(=O)C[C@H]1NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H22N2O7S/c20-14(18-11-6-8-27(24,25)10-11)9-26-15(21)5-7-19-16(22)12-3-1-2-4-13(12)17(19)23/h1-2,11-13H,3-10H2,(H,18,20)/t11-,12-,13-/m0/s1
SMILES: C1CN2C[C@H]1[C@H](C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)F
InChI: InChI=1S/C17H17FN2O2/c18-13-3-1-11(2-4-13)15-5-6-16(22-15)17(21)19-14-10-20-8-7-12(14)9-20/h1-6,12,14H,7-10H2,(H,19,21)/t12-,14-/m0/s1
SMILES: CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CC=CC=C2OC
InChI: InChI=1S/C17H23NO4/c1-3-4-11-18-15(19)10-9-13(17(20)21)16(18)12-7-5-6-8-14(12)22-2/h5-8,13,16H,3-4,9-11H2,1-2H3,(H,20,21)/p-1/t13-,16-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)C6(CC7=CC=CC8=C7C(=CC=C8)C6)C[C@]3([C@H]2CC9=C4C(=C(C=C9)O)O5)O
InChI: InChI=1S/C32H31NO4/c34-23-10-9-20-13-24-32(36)17-30(14-21-5-1-3-19-4-2-6-22(15-30)25(19)21)28(35)29-31(32,26(20)27(23)37-29)11-12-33(24)16-18-7-8-18/h1-6,9-10,18,24,29,34,36H,7-8,11-17H2/t24-,29+,31+,32-/m1/s1
SMILES: CC(C)[C@@]12[C@@H](O1)C[C@@H]3[C@]4(CCC[C@@]([C@@H]4CCC35[C@H]2O5)(C)C(=O)OC)C
InChI: InChI=1S/C21H32O4/c1-12(2)21-15(24-21)11-14-18(3)8-6-9-19(4,17(22)23-5)13(18)7-10-20(14)16(21)25-20/h12-16H,6-11H2,1-5H3/t13-,14-,15+,16-,18+,19-,20?,21+/m1/s1
SMILES: C[C@]1([C@]([C@H](N=N1)C(C)(C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C(=O)OC)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C27H24ClN3O2/c1-25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-27(18-29,24(32)33-3)26(2,31-30-23)21-14-16-22(28)17-15-21/h4-17,23H,1-3H3/t23-,26-,27+/m1/s1