EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCCC=C
InChI: InChI=1S/C53H64N2O8S/c1-4-7-31-60-52(58)55(37-40-21-17-20-38-18-11-12-24-43(38)40)49-36-47(54-62-6-3)45-34-39(19-13-15-28-56)44(25-14-16-29-57)50-46-35-41(59-32-33-64-42-22-9-8-10-23-42)26-27-48(46)63-53(49,51(45)50)61-30-5-2/h4-5,8-12,17-18,20-24,26-27,34-35,39,44,49-51,56-57H,1-2,6-7,13-16,19,25,28-33,36-37H2,3H3/t39-,44+,49-,50+,51+,53+/m0/s1
SMILES: C1CCN(CC1)[C@@]23[C@@H](CCCNC2=O)C4=C(C(=C(C=C4O3)Br)O)Br
InChI: InChI=1S/C17H20Br2N2O3/c18-11-9-12-13(14(19)15(11)22)10-5-4-6-20-16(23)17(10,24-12)21-7-2-1-3-8-21/h9-10,22H,1-8H2,(H,20,23)/t10-,17+/m0/s1
SMILES: C[C@@H]([C@@H](C(=O)NC[C@H]1C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](C)NC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI: InChI=1S/C51H61N9O12/c1-27(54-48(67)56-39(47(66)72-51(4,5)6)22-30-24-52-38-19-13-12-14-32(30)38)43(63)58-42(44(64)53-25-31-23-40(61)46(71-31)60-21-20-41(62)57-49(60)68)29(3)59(7)45(65)28(2)55-50(69)70-26-37-35-17-10-8-15-33(35)34-16-9-11-18-36(34)37/h8-21,24,27-29,31,37,39-40,42,46,52,61H,22-23,25-26H2,1-7H3,(H,53,64)(H,55,69)(H,58,63)(H2,54,56,67)(H,57,62,68)/t27-,28-,29-,31+,39-,40+,42-,46+/m0/s1
SMILES: CCCCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C
InChI: InChI=1S/C19H25N3O6/c1-4-5-6-27-16-9(2)14(23)13-12(15(16)24)10(8-28-18(20)25)19(26-3)17-11(21-17)7-22(13)19/h10-11,17,21H,4-8H2,1-3H3,(H2,20,25)/t10-,11?,17?,19-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C(Cl)(Cl)Cl)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)OC)C)C)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C44H63Cl3O12/c1-23(48)55-30-31(56-24(2)49)33(59-37(52)44(45,46)47)35(58-32(30)34(50)53-10)57-29-15-16-40(7)27(39(29,5)6)14-17-42(9)28(40)13-12-25-26-22-38(3,4)18-20-43(26,36(51)54-11)21-19-41(25,42)8/h12,26-33,35H,13-22H2,1-11H3/t26-,27-,28+,29-,30-,31-,32-,33+,35-,40-,41+,42+,43-/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)N[C@H](CC4=CC=CC=C4)C(=O)C)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C37H38N6O6S/c1-23-33(22-50-37-40-41-42-43(37)30-15-17-31(46)18-16-30)48-35(49-34(23)27-13-11-26(21-44)12-14-27)28-9-6-10-29(20-28)38-36(47)39-32(24(2)45)19-25-7-4-3-5-8-25/h3-18,20,23,32-35,44,46H,19,21-22H2,1-2H3,(H2,38,39,47)/t23-,32+,33+,34+,35?/m0/s1
SMILES: C1[C@@H]2[C@H](C[C@H]([C@@H]1Br)Br)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C22H19Br2NO4/c23-18-10-16-17(11-19(18)24)21(27)25(20(16)26)15-8-4-7-14(9-15)22(28)29-12-13-5-2-1-3-6-13/h1-9,16-19H,10-12H2/t16-,17+,18-,19-/m1/s1
SMILES: CC[C@@H]1[C@H](C(=O)O[C@](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@@H](C(=O)N[C@H](C(C(C(=O)N[C@H](C(=O)N1)C)(C)C)O)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)(C)[C@@H](C)CC)C
InChI: InChI=1S/C51H84N8O12/c1-18-30(7)51(13)49(69)53-27-39(60)57(14)37(24-28(3)4)44(64)52-26-40(61)59(16)41(29(5)6)46(66)58(15)38(25-34-20-22-35(70-17)23-21-34)45(65)54-32(9)42(62)50(11,12)48(68)55-33(10)43(63)56-36(19-2)31(8)47(67)71-51/h20-23,28-33,36-38,41-42,62H,18-19,24-27H2,1-17H3,(H,52,64)(H,53,69)(H,54,65)(H,55,68)(H,56,63)/t30-,31+,32-,33-,36+,37-,38+,41-,42?,51+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)OC2=C(C=C(C=C2)[N+](=O)[O-])NC)C(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H70N2O9Si4/c1-34(2,3)49(14,15)45-28-29(46-50(16,17)35(4,5)6)31(47-51(18,19)36(7,8)9)33(44-30(28)32(39)42-22-23-48(11,12)13)43-27-21-20-25(38(40)41)24-26(27)37-10/h20-21,24,28-31,33,37H,22-23H2,1-19H3/t28-,29-,30-,31+,33+/m0/s1
SMILES: CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3[C@@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H18N4O6/c1-6-3-8-9(4-7(6)2)19-14-11(18-8)15(25)20-17(26)21(14)16-13(24)12(23)10(5-22)27-16/h3-4,10,12-13,16,22-24H,5H2,1-2H3,(H,20,25,26)/t10-,12-,13-,16+/m1/s1
SMILES: CC1CCCCC12OOC3(CC[C@]4([C@@H](C3)C[C@H](C5C4C[C@@H]([C@]6(C5CC[C@@H]6[C@H](C)CCC(=O)N)C)OC(=O)C)OC(=O)C)C)OO2
InChI: InChI=1S/C35H55NO9/c1-20(10-13-30(36)39)25-11-12-26-31-27(18-29(33(25,26)6)41-23(4)38)32(5)15-16-34(19-24(32)17-28(31)40-22(3)37)42-44-35(45-43-34)14-8-7-9-21(35)2/h20-21,24-29,31H,7-19H2,1-6H3,(H2,36,39)/t20-,21?,24-,25-,26?,27?,28-,29+,31?,32+,33-,34?,35?/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl
InChI: InChI=1S/C20H22ClN3O2S/c1-12-5-3-4-8-20(12)18(25)24(19(26)23-20)11-14-9-13-6-7-15(27-2)10-16(13)22-17(14)21/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,23,26)/t12-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N1C(=O)C2=CC=CC=C2[C@@]3([C@]14[C@@H]([C@@H]([C@@H](C3)O4)O)O)C(=O)OC
InChI: InChI=1S/C20H23NO8/c1-18(2,3)29-17(26)21-15(24)10-7-5-6-8-11(10)19(16(25)27-4)9-12-13(22)14(23)20(19,21)28-12/h5-8,12-14,22-23H,9H2,1-4H3/t12-,13-,14-,19-,20-/m1/s1
SMILES: CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)CC(=O)[C@H](CC(C)C)NC=O
InChI: InChI=1S/C30H55NO4/c1-5-7-9-11-12-13-14-15-16-18-25(21-28(33)27(31-23-32)20-24(3)4)22-29-26(30(34)35-29)19-17-10-8-6-2/h23-27,29H,5-22H2,1-4H3,(H,31,32)/t25-,26+,27+,29+/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)C)C)C2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C41H66O11/c1-20-11-16-41(36(47)48)18-17-39(7)23(28(41)21(20)2)9-10-26-38(6)14-13-27(37(4,5)25(38)12-15-40(26,39)8)51-35-33(30(44)24(42)19-49-35)52-34-32(46)31(45)29(43)22(3)50-34/h9,20-22,24-35,42-46H,10-19H2,1-8H3,(H,47,48)/t20-,21+,22+,24+,25?,26?,27+,28?,29+,30+,31-,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1
SMILES: CCCCN(CCCC)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)NC(=O)[C@H](C)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C49H74N8O6Si2/c1-14-16-26-56(27-17-15-2)31-53-43-41-44(51-30-50-43)57(32-52-41)46-42(63-65(12,13)49(7,8)9)40(39(62-46)29-61-64(10,11)48(4,5)6)55-45(58)33(3)54-47(59)60-28-38-36-24-20-18-22-34(36)35-23-19-21-25-37(35)38/h18-25,30-33,38-40,42,46H,14-17,26-29H2,1-13H3,(H,54,59)(H,55,58)/b53-31+/t33-,39+,40+,42+,46+/m0/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H25NO4/c1-19-12-17-24-25(18-19)28(32)30(27(24)31)22-13-15-23(16-14-22)34-29(33)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16,24-26H,17-18H2,1H3/t24-,25+/m0/s1
SMILES: C[C@]12CCCC3=CC4=C(C(=CC(=C4)[N+](=O)[O-])OC)O[C@]31N(C5=CC=CC=C25)C
InChI: InChI=1S/C22H22N2O4/c1-21-10-6-7-15-11-14-12-16(24(25)26)13-19(27-3)20(14)28-22(15,21)23(2)18-9-5-4-8-17(18)21/h4-5,8-9,11-13H,6-7,10H2,1-3H3/t21-,22-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NC=NN4
InChI: InChI=1S/C38H56N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-35(44)39-25-30-17-23-33(24-18-30)37-45-34(27-47-38-40-28-41-42-38)29(2)36(46-37)32-21-19-31(26-43)20-22-32/h17-24,28-29,34,36-37,43H,3-16,25-27H2,1-2H3,(H,39,44)(H,40,41,42)/t29-,34+,36+,37?/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C[C@@H]2C(=O)O[C@@H](N2C(=O)OCC3=CC=CC=C3)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H39NO13/c1-16(32)38-15-23-25(41-18(3)34)26(42-19(4)35)24(40-17(2)33)22(43-23)13-21-27(36)44-28(30(5,6)7)31(21)29(37)39-14-20-11-9-8-10-12-20/h8-12,21-26,28H,13-15H2,1-7H3/t21-,22-,23-,24+,25-,26-,28-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C19H20FN3O6/c20-13-7-3-4-8-14(13)21-19(28)22-15(24)10-29-16(25)9-23-17(26)11-5-1-2-6-12(11)18(23)27/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,21,22,24,28)/t11-,12-/m1/s1
SMILES: CC1=C(N(C2=CC(=C(C=C12)Cl)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI: InChI=1S/C14H14Cl3NO4/c1-5-6-2-7(15)8(16)3-9(6)18(13(5)17)14-12(21)11(20)10(4-19)22-14/h2-3,10-12,14,19-21H,4H2,1H3/t10-,11-,12-,14-/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)C(=O)O)C
InChI: InChI=1S/C22H30N2O3/c1-16-14-19(20(22(26)27)15-17(16)2)21(25)24-12-10-23(11-13-24)9-8-18-6-4-3-5-7-18/h3-7,19-20H,8-15H2,1-2H3,(H,26,27)/t19-,20-/m1/s1
SMILES: C[C@]12CCC[C@@]([C@@H]1[C@@H]3[C@@H](C3(C)C)CC2)(C)N=C=S
InChI: InChI=1S/C16H25NS/c1-14(2)11-6-9-15(3)7-5-8-16(4,17-10-18)13(15)12(11)14/h11-13H,5-9H2,1-4H3/t11-,12-,13+,15+,16+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O
InChI: InChI=1S/C20H22N2O4/c1-11(23)12-4-6-15(7-5-12)21-16(24)8-9-22-19(25)17-13-2-3-14(10-13)18(17)20(22)26/h4-7,13-14,17-18H,2-3,8-10H2,1H3,(H,21,24)/t13-,14+,17+,18-
SMILES: C[C@@]12CCC[C@]([C@@H]1CCC3=CC(=C(C(=C23)[N+](=O)[O-])[O-])[N+](=O)[O-])(C)C(=O)[O-]
InChI: InChI=1S/C17H20N2O7/c1-16-6-3-7-17(2,15(21)22)11(16)5-4-9-8-10(18(23)24)14(20)13(12(9)16)19(25)26/h8,11,20H,3-7H2,1-2H3,(H,21,22)/p-2/t11-,16-,17+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NCC(=O)NC2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C19H29N3OS/c1-12-9-14(3)18(15(4)10-12)22-17(23)11-20-19(24)21-16-8-6-5-7-13(16)2/h9-10,13,16H,5-8,11H2,1-4H3,(H,22,23)(H2,20,21,24)/t13-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)CN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO)C(=O)C4=CC5=C(O4)C(=CC=C5)OC
InChI: InChI=1S/C35H35IN2O9/c1-20-7-9-21(10-8-20)18-38(35(43)30-16-23-5-4-6-27(44-2)32(23)47-30)26-15-24(34(42)37-11-12-39)17-28(31(26)41)46-33-25(36)13-22(19-40)14-29(33)45-3/h4-10,13-14,16-17,19,26,28,31,39,41H,11-12,15,18H2,1-3H3,(H,37,42)/t26-,28+,31+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC3=CC(=CC=C3)OCC4=CC=CC=C4)CO)Br
InChI: InChI=1S/C23H23BrN2O5/c24-19-11-21(31-20(19)13-27)26-12-17(22(28)25-23(26)29)9-16-7-4-8-18(10-16)30-14-15-5-2-1-3-6-15/h1-8,10,12,19-21,27H,9,11,13-14H2,(H,25,28,29)/t19-,20+,21+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](ON=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H17NO/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15,19,21H/t19-,21+/m1/s1
SMILES: CC1=C[C@H]2[C@@]3([C@@H]([C@@H](N2C4=CC=CC=C14)C(=O)C5=CC=C(C=C5)OC)C(=O)C6=CC=C(C=C6)Cl)C7=CC=CC=C7NC3=O
InChI: InChI=1S/C35H27ClN2O4/c1-20-19-29-35(26-8-4-5-9-27(26)37-34(35)41)30(32(39)21-11-15-23(36)16-12-21)31(38(29)28-10-6-3-7-25(20)28)33(40)22-13-17-24(42-2)18-14-22/h3-19,29-31H,1-2H3,(H,37,41)/t29-,30-,31+,35+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)[C@H]2CC(=NOC(C)(C)C)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H61N3O11S/c1-8-25-59-48-44(51(6)63(56,57)37-19-15-34(16-20-37)49-31(2)55)29-41(50-62-47(3,4)5)39-27-32(13-9-11-23-52)38(14-10-12-24-53)45(46(39)48)40-28-36(18-22-43(40)61-48)60-35-17-21-42(58-7)33(26-35)30-54/h8,15-22,26-28,30,32,38,44-46,52-53H,1,9-14,23-25,29H2,2-7H3,(H,49,55)/t32-,38+,44-,45+,46+,48+/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3CNCCC4=CC=C(C=C4)F
InChI: InChI=1S/C23H30FNO2/c1-15-4-3-10-23(2)13-21-18(12-20(15)23)19(22(26)27-21)14-25-11-9-16-5-7-17(24)8-6-16/h5-8,18-19,21,25H,3-4,9-14H2,1-2H3/t18-,19-,21-,23-/m1/s1
SMILES: CCC1=C(SC(=C1C(=O)OC)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])C=C3)C
InChI: InChI=1S/C19H23NO5S/c1-4-12-9(2)26-17(15(12)19(24)25-3)20-16(21)13-10-5-7-11(8-6-10)14(13)18(22)23/h5,7,10-11,13-14H,4,6,8H2,1-3H3,(H,20,21)(H,22,23)/p-1/t10-,11+,13-,14+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)NC3=C(C2(C)C)C=C(C=C3)C(=O)NCCC(=O)O
InChI: InChI=1S/C20H28N2O3/c1-12-4-6-14-17(10-12)22-16-7-5-13(11-15(16)20(14,2)3)19(25)21-9-8-18(23)24/h5,7,11-12,14,17,22H,4,6,8-10H2,1-3H3,(H,21,25)(H,23,24)/t12-,14+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@H](C(O2)OC)O)O
InChI: InChI=1S/C13H18O7S/c1-8-3-5-9(6-4-8)21(16,17)19-7-10-11(14)12(15)13(18-2)20-10/h3-6,10-15H,7H2,1-2H3/t10-,11-,12-,13?/m1/s1
SMILES: CC1=CC(=CC=C1)C(=O)N/N=C\C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI: InChI=1S/C26H27N5O6S/c1-14-8-7-11-16(12-14)21(33)30-27-13-17(32)28-18(15-9-5-4-6-10-15)22(34)29-19-23(35)31-20(25(36)37)26(2,3)38-24(19)31/h4-13,18-20,24H,1-3H3,(H,28,32)(H,29,34)(H,30,33)(H,36,37)/b27-13-/t18?,19-,20+,24-/m1/s1
SMILES: CCOP(=O)(C[C@H]1CC(O[C@@H]1COC2=NC=CC(=N2)OC)SC3=CC=CC=C3)OCC
InChI: InChI=1S/C21H29N2O6PS/c1-4-27-30(24,28-5-2)15-16-13-20(31-17-9-7-6-8-10-17)29-18(16)14-26-21-22-12-11-19(23-21)25-3/h6-12,16,18,20H,4-5,13-15H2,1-3H3/t16-,18-,20?/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)CCCC(=O)O)CN4C=NC5=CC=CC=C54
InChI: InChI=1S/C31H33N3O6/c1-20-27(17-34-19-32-25-8-2-3-9-26(25)34)39-31(40-30(20)22-14-12-21(18-35)13-15-22)23-6-4-7-24(16-23)33-28(36)10-5-11-29(37)38/h2-4,6-9,12-16,19-20,27,30-31,35H,5,10-11,17-18H2,1H3,(H,33,36)(H,37,38)/t20-,27+,30+,31+/m1/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H](C[C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)OCC8=CC=CC=C8)OC)NC(=O)OCC9=CC=CC=C9
InChI: InChI=1S/C45H45NO15/c1-24-52-22-36-41(58-24)31(46-44(48)54-19-25-10-6-4-7-11-25)18-37(59-36)60-40-29-17-33-32(56-23-57-33)16-28(29)38(39-30(40)21-53-43(39)47)27-14-34(50-2)42(35(15-27)51-3)61-45(49)55-20-26-12-8-5-9-13-26/h4-17,24,30-31,36-41H,18-23H2,1-3H3,(H,46,48)/t24-,30+,31-,36-,37+,38-,39+,40-,41+/m1/s1
SMILES: CCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)C=O)C(=O)NCCO
InChI: InChI=1S/C30H34N2O9/c1-3-4-5-25(35)32(14-17-6-7-22-23(11-17)40-16-39-22)21-13-20(30(37)31-8-9-33)26-19-10-18(15-34)12-24(38-2)28(19)41-29(26)27(21)36/h6-7,10-13,15,21,26-27,29,33,36H,3-5,8-9,14,16H2,1-2H3,(H,31,37)/t21-,26+,27+,29+/m1/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC(=CC=C4)O)C(=O)NCC5=CC=C(C=C5)F
InChI: InChI=1S/C24H26FN5O2/c25-19-6-4-16(5-7-19)12-26-24(32)22-14-29-9-8-17(22)10-20(29)13-30-15-23(27-28-30)18-2-1-3-21(31)11-18/h1-7,11,15,17,20,22,31H,8-10,12-14H2,(H,26,32)/t17-,20-,22+/m1/s1
SMILES: CCCCC1=CC2=C[C@H]3[C@@H]4CC(=C(C[C@@]4(C(=O)[C@]2(C1)O3)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C26H40O3Si/c1-9-10-11-19-13-20-14-22-21-12-17(2)18(3)15-26(21,23(27)25(20,16-19)28-22)29-30(7,8)24(4,5)6/h13-14,21-22H,9-12,15-16H2,1-8H3/t21-,22-,25+,26+/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=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C40H24Cl2F10N4O5/c41-20-6-4-16(5-7-20)37-26(34(59)56(36(37)61)54-32-27(42)13-19(15-53-32)40(50,51)52)14-25-22(30(37)24-2-1-3-28(43)31(24)57)8-9-23-29(25)35(60)55(33(23)58)21-11-17(38(44,45)46)10-18(12-21)39(47,48)49/h1-8,10-13,15,23,25-26,29-30,57H,9,14H2,(H,53,54)/t23-,25+,26-,29-,30+,37+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C15H17NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h1-5,9-10,12-13H,6-8H2,(H,16,17)(H,18,19)/t9-,10+,12-,13+/m1/s1
SMILES: C1CC1N(CC2=CC=CN2CC3=CC=CC=C3)C(=O)[C@@H]4C[C@H]4C5=CC=CC=C5
InChI: InChI=1S/C25H26N2O/c28-25(24-16-23(24)20-10-5-2-6-11-20)27(21-13-14-21)18-22-12-7-15-26(22)17-19-8-3-1-4-9-19/h1-12,15,21,23-24H,13-14,16-18H2/t23-,24+/m0/s1
SMILES: CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C22H32N4O/c1-14(2)20-11-18(19-12-23-26(15(3)4)21(19)24-20)22(27)25-10-9-16-7-5-6-8-17(16)13-25/h11-12,14-17H,5-10,13H2,1-4H3/t16-,17+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C4=CC=CC=C43)Cl
InChI: InChI=1S/C21H20ClNO4/c22-17-9-10-18(14-6-2-1-5-13(14)17)27-19(24)11-12-23-20(25)15-7-3-4-8-16(15)21(23)26/h1-2,5-6,9-10,15-16H,3-4,7-8,11-12H2/t15-,16+
SMILES: CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)OCCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C
InChI: InChI=1S/C45H59Cl2O10P/c1-25(2)8-6-9-26(3)35-13-14-36-32-12-11-29-24-30(15-17-44(29,4)37(32)16-18-45(35,36)5)57-58(54,55)56-19-7-10-31(27-20-33(42(50)51)40(48)38(46)22-27)28-21-34(43(52)53)41(49)39(47)23-28/h10-11,20-23,25-26,30,32,35-37,48-49H,6-9,12-19,24H2,1-5H3,(H,50,51)(H,52,53)(H,54,55)/t26?,30-,32?,35+,36?,37?,44-,45+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O
InChI: InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)CCCCCC(=O)O
InChI: InChI=1S/C40H39ClN2O8/c1-2-51-31-16-10-15-28(35(31)46)34-26-18-19-27-33(38(49)42(36(27)47)20-8-4-7-17-32(44)45)29(26)22-30-37(48)43(25-14-9-13-24(41)21-25)39(50)40(30,34)23-11-5-3-6-12-23/h3,5-6,9-16,18,21,27,29-30,33-34,46H,2,4,7-8,17,19-20,22H2,1H3,(H,44,45)/t27-,29+,30-,33-,34+,40+/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCC3)C4=CC(=CC=C4)Cl)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C25H28ClNO5/c1-13-11-18-22(23(28)19(13)24(29)31-3)21(15-7-6-8-16(26)12-15)20(14(2)27-18)25(30)32-17-9-4-5-10-17/h6-8,12-13,17,19,21,27H,4-5,9-11H2,1-3H3/t13-,19+,21+/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)/C
InChI: InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3/b12-8+,13-11+,14-6-/t16-,17+,18+/m0/s1
SMILES: C1CN(CCN1CC2=CC=C(C=C2)Cl)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C20H24ClN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-19(25)17-3-1-2-4-18(17)20(24)26/h1-2,5-8,17-18H,3-4,9-14H2/t17-,18-/m1/s1
SMILES: CCCCC[C@H]([C@@H](C)C(=O)N1[C@@H]([C@@H](OC1=O)C2=CC=CC=C2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C26H30N2O7/c1-4-5-7-12-22(34-25(30)20-13-15-21(16-14-20)28(32)33)17(2)24(29)27-18(3)23(35-26(27)31)19-10-8-6-9-11-19/h6,8-11,13-18,22-23H,4-5,7,12H2,1-3H3/t17-,18-,22-,23-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H20N2O5/c1-25-18(24)11-6-8-12(9-7-11)19-15(21)10-20-16(22)13-4-2-3-5-14(13)17(20)23/h6-9,13-14H,2-5,10H2,1H3,(H,19,21)/t13-,14-/m0/s1
SMILES: C[C@@]1\2CC[C@@H](C1(C)C)[C@@H](/C2=N/OC(=O)C3=CC=CC=C3)[Se]C(C4=CC=CC=C4)C(C5=CC=CC=C5)OC
InChI: InChI=1S/C32H35NO3Se/c1-31(2)25-20-21-32(31,3)29(33-36-30(34)24-18-12-7-13-19-24)28(25)37-27(23-16-10-6-11-17-23)26(35-4)22-14-8-5-9-15-22/h5-19,25-28H,20-21H2,1-4H3/b33-29-/t25-,26?,27?,28+,32+/m1/s1
SMILES: C[C@]12CC[C@H]3C(=C1CC[C@@H]2C#N)C(=O)C[C@H]4[C@@]3(C(=O)C=C(C4(C)C)[Si](C)(C)C5=CC=CC=C5)COC(=S)SC
InChI: InChI=1S/C32H39NO3S2Si/c1-30(2)25-16-24(34)28-22-13-12-20(18-33)31(22,3)15-14-23(28)32(25,19-36-29(37)38-4)26(35)17-27(30)39(5,6)21-10-8-7-9-11-21/h7-11,17,20,23,25H,12-16,19H2,1-6H3/t20-,23+,25-,31-,32-/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)[C@H](C)OC(=O)C)CN4CCCCCCC4
InChI: InChI=1S/C32H44N2O6/c1-22-29(20-34-17-7-5-4-6-8-18-34)39-32(40-30(22)27-13-11-26(21-35)12-14-27)28-15-9-25(10-16-28)19-33-31(37)23(2)38-24(3)36/h9-16,22-23,29-30,32,35H,4-8,17-21H2,1-3H3,(H,33,37)/t22-,23+,29+,30+,32+/m1/s1
SMILES: C[C@]12CCC[C@]3([C@@]1(O3)C[C@@H](CC2)[C@@](C)(CO)O)C
InChI: InChI=1S/C15H26O3/c1-12-6-4-7-14(3)15(12,18-14)9-11(5-8-12)13(2,17)10-16/h11,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+,15-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](N(O1)C)C2=CC=CC=C2)C(=O)N3CCOC3=O
InChI: InChI=1S/C15H18N2O4/c1-10-12(14(18)17-8-9-20-15(17)19)13(16(2)21-10)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12-,13+/m1/s1
SMILES: CC(=CC(=O)O)C=C[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O
InChI: InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/t13-,14-,15+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)N1CCNC1=O)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C16H21N3O6/c1-9(15(23)25-8-12(20)18-7-6-17-16(18)24)19-13(21)10-4-2-3-5-11(10)14(19)22/h9-11H,2-8H2,1H3,(H,17,24)/t9-,10-,11-/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@H]2[C@@H]([C@@H]3[C@@H]([C@H]1O)C(=C)C(=O)O3)C(=CC2=O)C)C
InChI: InChI=1S/C20H24O6/c1-6-8(2)19(23)25-17-10(4)14-12(21)7-9(3)13(14)18-15(16(17)22)11(5)20(24)26-18/h6-7,10,13-18,22H,5H2,1-4H3/b8-6-/t10-,13+,14-,15-,16-,17-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CCCCC4)C
InChI: InChI=1S/C23H35NO2/c1-16-7-6-11-23(2)14-21-18(13-20(16)23)19(22(25)26-21)15-24-12-10-17-8-4-3-5-9-17/h8,13,16,18-19,21,24H,3-7,9-12,14-15H2,1-2H3/t16-,18-,19+,21-,23-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@@H]([C@@H]([C@]2(O1)C)OC(=O)NCCN5CCCCC5)O)(C)C)OC(O3)N(C)C)C)C=C
InChI: InChI=1S/C31H51N3O7/c1-9-28(4)19-20(35)31-29(5)21(38-26(40-31)33(7)8)13-14-27(2,3)23(29)22(36)24(30(31,6)41-28)39-25(37)32-15-18-34-16-11-10-12-17-34/h9,21-24,26,36H,1,10-19H2,2-8H3,(H,32,37)/t21-,22-,23-,24-,26?,28-,29-,30+,31-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)C2)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C26H42O5/c1-2-3-4-9-21(30-25-10-5-7-14-28-25)12-13-22-23-18-20(27)16-19(23)17-24(22)31-26-11-6-8-15-29-26/h12-13,19,21-26H,2-11,14-18H2,1H3/b13-12+/t19-,21-,22+,23-,24+,25?,26?/m0/s1
SMILES: C[C@@]12CCC[C@@]1([C@](C(C2)OS(=O)(=O)C)(C)CC3OCCO3)C
InChI: InChI=1S/C16H28O5S/c1-14-6-5-7-16(14,3)15(2,11-13-19-8-9-20-13)12(10-14)21-22(4,17)18/h12-13H,5-11H2,1-4H3/t12?,14-,15+,16-/m0/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)C7=CC=C(C=C7)C#N
InChI: InChI=1S/C48H55N3O9/c1-3-24-57-48-43(51(2)47(55)34-18-16-32(30-49)17-19-34)29-41(50-60-44-15-6-9-25-56-44)39-27-35(12-4-7-22-52)38(14-5-8-23-53)45(46(39)48)40-28-37(20-21-42(40)59-48)58-36-13-10-11-33(26-36)31-54/h3,10-11,13,16-21,26-28,31,35,38,43-46,52-53H,1,4-9,12,14-15,22-25,29H2,2H3/t35-,38+,43-,44?,45+,46+,48+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2
InChI: InChI=1S/C17H16N2O3S2/c1-8-5-10(8)17(21)22-6-13-18-15(20)14-11(7-23-16(14)19-13)12-4-3-9(2)24-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,19,20)/t8-,10-/m0/s1
SMILES: CCC(=O)OC1=CC=CC(=C1)N2C(=O)[C@H]3[C@H](C2=O)C4C=CC3[C@@H]5[C@@H]4C(=O)N(C5=O)C6=CC(=CC=C6)OC(=O)CC
InChI: InChI=1S/C30H26N2O8/c1-3-21(33)39-17-9-5-7-15(13-17)31-27(35)23-19-11-12-20(24(23)28(31)36)26-25(19)29(37)32(30(26)38)16-8-6-10-18(14-16)40-22(34)4-2/h5-14,19-20,23-26H,3-4H2,1-2H3/t19?,20?,23-,24-,25-,26-/m1/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=C(C=C6)C7=NC8=CC=CC=C8O7
InChI: InChI=1S/C37H27BrN2O7/c1-17-13-27(41)32-25(33(17)42)16-23-21(30(32)24-14-19(38)15-29(46-2)34(24)43)11-12-22-31(23)37(45)40(36(22)44)20-9-7-18(8-10-20)35-39-26-5-3-4-6-28(26)47-35/h3-11,13-15,22-23,30-31,43H,12,16H2,1-2H3/t22-,23+,30+,31-/m0/s1
SMILES: C[C@@H]1CC2=NC(=C([C@H]([C@H]2C(=O)C1)C3=CC=CC=C3)C(=O)NC4=CC=CC(=N4)C)C
InChI: InChI=1S/C24H25N3O2/c1-14-12-18-23(19(28)13-14)22(17-9-5-4-6-10-17)21(16(3)26-18)24(29)27-20-11-7-8-15(2)25-20/h4-11,14,22-23H,12-13H2,1-3H3,(H,25,27,29)/t14-,22-,23-/m1/s1
SMILES: CC1([C@@H]([C@H]1C(=O)NC2=CC=CC3=CC=CC=C32)C=C(Cl)Cl)C
InChI: InChI=1S/C18H17Cl2NO/c1-18(2)13(10-15(19)20)16(18)17(22)21-14-9-5-7-11-6-3-4-8-12(11)14/h3-10,13,16H,1-2H3,(H,21,22)/t13-,16+/m1/s1
SMILES: C[C@@H](C(=O)NC1=NC=CS1)NC(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C18H25N3O7S/c1-8(13(22)21-16-19-6-7-29-16)20-14(23)11-9-10(26-17(2,3)25-9)12-15(24-11)28-18(4,5)27-12/h6-12,15H,1-5H3,(H,20,23)(H,19,21,22)/t8-,9+,10-,11-,12+,15+/m0/s1
SMILES: CCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C16H18N2O5S2/c1-2-15(19)17-16-18(11-8-25(20,21)9-14(11)24-16)10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7,11,14H,2,5-6,8-9H2,1H3/t11-,14-/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)O[C@H]4C(=O)OCC4(C)C)C(=O)N(C)[C@H](CC5=CC=CC=C5)C(=O)NCCO)CCCCC
InChI: InChI=1S/C46H60N2O11/c1-6-8-13-22-46(23-14-9-7-2)58-37-29-34(42(52)48(5)35(41(51)47-24-25-49)27-31-16-11-10-12-17-31)28-36(39(37)59-46)56-43(53)33-19-15-18-32(26-33)20-21-38(50)57-40-44(54)55-30-45(40,3)4/h10-12,15-21,26,29,35-37,39-40,49H,6-9,13-14,22-25,27-28,30H2,1-5H3,(H,47,51)/t35-,36-,37-,39+,40+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N3CCOCC3)O[C@H]4C[C@@H](O[C@@H]4COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)N8C=C(C(=O)NC8=O)C)O
InChI: InChI=1S/C45H52N5O14P/c1-28-24-49(43(54)46-41(28)52)39-22-35(51)37(62-39)27-61-65(56,48-18-20-59-21-19-48)64-36-23-40(50-25-29(2)42(53)47-44(50)55)63-38(36)26-60-45(30-8-6-5-7-9-30,31-10-14-33(57-3)15-11-31)32-12-16-34(58-4)17-13-32/h5-17,24-25,35-40,51H,18-23,26-27H2,1-4H3,(H,46,52,54)(H,47,53,55)/t35-,36-,37+,38+,39+,40+,65?/m0/s1
SMILES: CC1=C2C(=C(C=C1OC)OC)C[C@H]([C@H](O2)C3=CC=C(C=C3)O)O
InChI: InChI=1S/C18H20O5/c1-10-15(21-2)9-16(22-3)13-8-14(20)18(23-17(10)13)11-4-6-12(19)7-5-11/h4-7,9,14,18-20H,8H2,1-3H3/t14-,18-/m1/s1