EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCC1=CC=C(C=C1)NC[C@@]2([C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)O)O
InChI: InChI=1S/C25H41NO5/c1-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)26-18-25(28)23(27)22-21(17-29-25)30-24(2,3)31-22/h13-16,21-23,26-28H,4-12,17-18H2,1-3H3/t21-,22-,23+,25-/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)C6=NC7=CC=CC=C7O6)C8=CC(=C(C=C8)OC)O
InChI: InChI=1S/C37H28N2O7/c1-18-15-27(40)25-17-24-22(31(33(25)34(18)42)20-9-14-30(45-2)28(41)16-20)12-13-23-32(24)37(44)39(36(23)43)21-10-7-19(8-11-21)35-38-26-5-3-4-6-29(26)46-35/h3-12,14-16,23-24,31-32,41H,13,17H2,1-2H3/t23-,24+,31-,32-/m0/s1
SMILES: C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C[C@H]4[C@@H](C(=C)C(=O)O4)C5=CC=CC=C5)C)/C(=C)[C@H]1O)O
InChI: InChI=1S/C34H44O4/c1-20(18-30-31(23(4)33(37)38-30)25-10-7-6-8-11-25)27-15-16-28-24(12-9-17-34(27,28)5)13-14-26-19-29(35)22(3)32(36)21(26)2/h6-8,10-11,13-14,20,22,27-32,35-36H,2,4,9,12,15-19H2,1,3,5H3/b24-13+,26-14-/t20-,22+,27-,28+,29-,30+,31+,32-,34-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CSCCCCCSC[C@H]5[C@@H]6CC[C@H]([C@H]7[C@]68[C@H](OC5=O)O[C@@](CC7)(OO8)C)C
InChI: InChI=1S/C35H52O10S2/c1-20-8-10-26-22(28(36)38-30-34(26)24(20)12-14-32(3,40-30)42-44-34)18-46-16-6-5-7-17-47-19-23-27-11-9-21(2)25-13-15-33(4)41-31(39-29(23)37)35(25,27)45-43-33/h20-27,30-31H,5-19H2,1-4H3/t20-,21-,22+,23+,24+,25+,26+,27+,30-,31-,32-,33-,34-,35-/m1/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC(=C2)C3O[C@@H]([C@H]([C@@H](O3)C4=CC=C(C=C4)CO)C5=CC=CC=C5)CSC6=CC=CC=C6N
InChI: InChI=1S/C39H36N2O5S/c1-25(43)29-11-8-14-32(22-29)41-38(44)30-12-7-13-31(21-30)39-45-34(24-47-35-16-6-5-15-33(35)40)36(27-9-3-2-4-10-27)37(46-39)28-19-17-26(23-42)18-20-28/h2-22,34,36-37,39,42H,23-24,40H2,1H3,(H,41,44)/t34-,36-,37+,39?/m1/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C28H24BrNO4/c29-21-17-15-20(16-18-21)26(31)19-34-28(33)25-14-8-7-13-24(25)27(32)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-12,15-18,24-25H,13-14,19H2/t24-,25+/m0/s1
SMILES: CC(C)C(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C35H37N5O5S/c1-23(2)33(43)39-31-28-32(37-21-36-31)40(22-38-28)34-30(29(42)27(20-41)45-34)44-18-19-46-35(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,21-23,27,29-30,34,41-42H,18-20H2,1-2H3,(H,36,37,39,43)/t27-,29-,30-,34-/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C43H58N4O5/c1-6-44-42(50)45-25-34-12-7-9-13-35(34)30-19-21-33(22-20-30)41-51-38(28(2)39(52-41)32-17-15-29(27-48)16-18-32)26-47-36-14-10-8-11-31(36)23-24-37(47)40(49)46-43(3,4)5/h7,9,12-13,15-22,28,31,36-39,41,48H,6,8,10-11,14,23-27H2,1-5H3,(H,46,49)(H2,44,45,50)/t28-,31-,36-,37-,38+,39+,41+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CSC2=CC=CC=C2
InChI: InChI=1S/C18H24N2O4S/c1-13-7-5-6-10-15(13)19-18(23)20-16(21)11-24-17(22)12-25-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,19,20,21,23)/t13-,15-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC=C)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C59H64O12/c1-3-34-62-58-56(67-39-48-30-18-8-19-31-48)55(66-38-47-28-16-7-17-29-47)53(50(69-58)41-61-35-44-22-10-4-11-23-44)71-59-57(68-40-49-32-20-9-21-33-49)54(65-37-46-26-14-6-15-27-46)52(51(70-59)42-63-43(2)60)64-36-45-24-12-5-13-25-45/h3-33,50-59H,1,34-42H2,2H3/t50-,51-,52-,53-,54+,55+,56-,57-,58-,59+/m1/s1
SMILES: CC1=NC2=C(N=CN=C2N(C1=O)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)N
InChI: InChI=1S/C42H50N7O7P/c1-27(2)49(28(3)4)57(54-23-11-22-43)56-35-24-37(48-40-38(39(44)45-26-46-40)47-29(5)41(48)50)55-36(35)25-53-42(30-12-9-8-10-13-30,31-14-18-33(51-6)19-15-31)32-16-20-34(52-7)21-17-32/h8-10,12-21,26-28,35-37H,11,23-25H2,1-7H3,(H2,44,45,46)/t35-,36+,37+,57?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2(C[C@]3([C@@H](C[C@H]4[C@H](O3)CC[C@H]5[C@H](O4)COC(O5)(C)C)O[C@H]2CCO[Si](C(C)C)(C(C)C)C(C)C)C)O
InChI: InChI=1S/C36H60O10SSi/c1-23(2)48(24(3)4,25(5)6)42-18-17-32-36(37,22-41-47(38,39)27-13-11-26(7)12-14-27)21-35(10)33(44-32)19-30-28(46-35)15-16-29-31(43-30)20-40-34(8,9)45-29/h11-14,23-25,28-33,37H,15-22H2,1-10H3/t28-,29+,30+,31-,32+,33-,35+,36+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F
InChI: InChI=1S/C19H27F2N3O3S/c1-14-5-2-3-8-17(14)22-18(25)13-23-9-11-24(12-10-23)28(26,27)19-15(20)6-4-7-16(19)21/h4,6-7,14,17H,2-3,5,8-13H2,1H3,(H,22,25)/t14-,17+/m1/s1
SMILES: CC(=O)[C@@H]([C@@H]1[C@H]2[C@](CCC[C@]2(C)C(=O)CCC3=COC=C3)(C(=O)O1)C)OC(=O)C
InChI: InChI=1S/C22H28O7/c1-13(23)17(28-14(2)24)18-19-21(3,9-5-10-22(19,4)20(26)29-18)16(25)7-6-15-8-11-27-12-15/h8,11-12,17-19H,5-7,9-10H2,1-4H3/t17-,18+,19+,21+,22-/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C21H25NO5S/c1-3-27-21(26)17-13-7-4-10(2)8-14(13)28-19(17)22-18(23)15-11-5-6-12(9-11)16(15)20(24)25/h5-6,10-12,15-16H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,25)/t10-,11-,12+,15+,16+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@@H](CC[C@H](O1)C2CC2)O
InChI: InChI=1S/C17H34O3Si/c1-11(2)21(12(3)4,13(5)6)20-17-15(18)9-10-16(19-17)14-7-8-14/h11-18H,7-10H2,1-6H3/t15-,16+,17+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CCCOC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C16H21NO8/c18-12-9-16(22,15(20)21)8-10(14(12)19)4-3-7-25-13-6-2-1-5-11(13)17(23)24/h1-2,5-6,10,12,14,18-19,22H,3-4,7-9H2,(H,20,21)/t10-,12+,14+,16-/m0/s1
SMILES: C1[C@H]2[C@@H]1[C@@H](N(C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)O
InChI: InChI=1S/C13H12ClNO3/c14-9-3-1-7(2-4-9)12(16)15-6-8-5-10(8)11(15)13(17)18/h1-4,8,10-11H,5-6H2,(H,17,18)/t8-,10-,11-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H37NO14/c1-16(27(31(39)40)34-33(41)43-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)44-32-30(47-20(5)38)29(46-19(4)37)28(45-18(3)36)26(48-32)15-42-17(2)35/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,41)(H,39,40)/t16-,26+,27+,28+,29-,30+,32+/m0/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OS(=O)(=O)C)O)OC)O)OC)OC)O)COC
InChI: InChI=1S/C26H43NO10S/c1-7-27-11-23(12-33-2)14(28)8-15(34-3)26-13-9-24(29)16(35-4)10-25(30,17(13)22(24)37-38(6,31)32)18(21(26)27)19(36-5)20(23)26/h13-22,28-30H,7-12H2,1-6H3/t13-,14-,15+,16+,17-,18+,19+,20-,21?,22-,23+,24+,25-,26+/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2NC=NCC3O)O)O)CO
InChI: InChI=1S/C12H18N4O4/c17-3-6-1-7(11(20)10(6)19)16-5-15-9-8(18)2-13-4-14-12(9)16/h4-8,10-11,17-20H,1-3H2,(H,13,14)/t6-,7-,8?,10-,11+/m1/s1
SMILES: C[C@@]1(C[C@H]2C(=C([C@@H]1C(=O)C2(OC)OC)Br)C3OCCO3)C(=O)OC
InChI: InChI=1S/C16H21BrO7/c1-15(14(19)20-2)7-8-9(13-23-5-6-24-13)11(17)10(15)12(18)16(8,21-3)22-4/h8,10,13H,5-7H2,1-4H3/t8-,10+,15-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4CCCC4=O
InChI: InChI=1S/C20H22N2O4S/c23-17-10-5-11-22(17)18(24)12-26-20(25)14-7-2-1-6-13(14)19-21-15-8-3-4-9-16(15)27-19/h3-4,8-9,13-14H,1-2,5-7,10-12H2/t13-,14-/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@@H]([C@@H]([C@@H](O6)OCC)CCCO)C7=CC=CC8=C7CC9=CC=CC=C98)OC)OC)OC)OC
InChI: InChI=1S/C53H64N2O8/c1-7-32-31-54-20-18-34-26-47(58-3)49(60-5)28-41(34)45(54)24-36(32)25-46-42-29-50(61-6)48(59-4)27-35(42)19-21-55(46)52(57)51-30-44(40(17-12-22-56)53(63-51)62-8-2)39-16-11-15-38-37-14-10-9-13-33(37)23-43(38)39/h9-11,13-16,26-30,32,36,40,44-46,53,56H,7-8,12,17-25,31H2,1-6H3/t32-,36+,40-,44+,45-,46+,53+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@]4(COC(=N4)C5=CC=CC=C5)CC#C)C
InChI: InChI=1S/C23H26N2O4S/c1-4-11-23(14-29-19(24-23)16-8-6-5-7-9-16)20(26)25-18-13-17-10-12-22(18,21(17,2)3)15-30(25,27)28/h1,5-9,17-18H,10-15H2,2-3H3/t17-,18-,22-,23+/m1/s1
SMILES: CCCCN1[C@H]([C@@H](CCC1=O)C(=O)NC2=C(C=CC(=C2)Cl)C)C3=CC=CC=C3OC
InChI: InChI=1S/C24H29ClN2O3/c1-4-5-14-27-22(28)13-12-19(23(27)18-8-6-7-9-21(18)30-3)24(29)26-20-15-17(25)11-10-16(20)2/h6-11,15,19,23H,4-5,12-14H2,1-3H3,(H,26,29)/t19-,23+/m1/s1
SMILES: CC1([C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N3[C@@H]4[C@@H](CC5=CC=CC=C45)OC3=O)C
InChI: InChI=1S/C20H23NO3/c1-20(2)13-8-7-12(9-13)16(20)18(22)21-17-14-6-4-3-5-11(14)10-15(17)24-19(21)23/h3-6,12-13,15-17H,7-10H2,1-2H3/t12-,13+,15+,16+,17-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)CC(=O)O)O)[C@H](/C=C/CCCCCCCCCCCCC)O
InChI: InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(48)45-37(35-53-44-43(52)36(33-41(49)50)42(51)39(34-46)54-44)38(47)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,36-39,42-44,46-47,51-52H,3-28,30,32-35H2,1-2H3,(H,45,48)(H,49,50)/b31-29+/t36-,37-,38+,39-,42-,43-,44-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@]5(C=C[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)C[C@H]5NC(=O)CC7=CC=C(C=C7)NC(=O)/C=C/C(=O)OC)OC
InChI: InChI=1S/C33H35N3O7/c1-36-15-14-32-28-20-6-9-22(37)29(28)43-30(32)33(42-3)13-12-31(32,24(36)17-20)18-23(33)35-26(39)16-19-4-7-21(8-5-19)34-25(38)10-11-27(40)41-2/h4-13,23-24,30,37H,14-18H2,1-3H3,(H,34,38)(H,35,39)/b11-10+/t23-,24-,30-,31-,32+,33-/m1/s1
SMILES: CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C4=CC(=CC=C4)OC5CSC5
InChI: InChI=1S/C24H25NO3S/c1-2-27-24(26)16-9-10-22-21(12-16)19-7-4-8-20(19)23(25-22)15-5-3-6-17(11-15)28-18-13-29-14-18/h3-7,9-12,18-20,23,25H,2,8,13-14H2,1H3/t19-,20-,23+/m1/s1
SMILES: C[C@H](CC[C@H](C(C)(C)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
InChI: InChI=1S/C27H43FO2/c1-18-8-12-22(29)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(30)26(3,4)28/h10-11,19,22-25,29-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC
InChI: InChI=1S/C32H58O17/c1-15-19(35-5)23(37-7)26(40-10)31(45-15)48-22-18(34-4)14-43-29(42-12)28(22)49-32-27(41-11)24(38-8)20(16(2)46-32)47-30-25(39-9)21(36-6)17(33-3)13-44-30/h15-32H,13-14H2,1-12H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NC5=NC=CC(=N5)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C26H23N5O6S/c32-38(33,22-5-1-3-15-4-2-9-27-23(15)22)31-19-13-35-24-18(12-34-25(19)24)30-26-28-10-8-17(29-26)16-6-7-20-21(11-16)37-14-36-20/h1-11,18-19,24-25,31H,12-14H2,(H,28,29,30)/t18-,19-,24+,25+/m0/s1
SMILES: C1C(=O)[C@H]([C@@H]([C@]12C3=CC=CC=C3NC2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H19NO2/c26-20-15-24(18-13-7-8-14-19(18)25-23(24)27)22(17-11-5-2-6-12-17)21(20)16-9-3-1-4-10-16/h1-14,21-22H,15H2,(H,25,27)/t21-,22+,24-/m1/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)/C(=C/C(C)C)/[C@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@]56[C@@]4(CC[C@@H]5C6)C)OC)C)O
InChI: InChI=1S/C35H52O3S/c1-21(2)18-30(39(37)25-10-8-22(3)9-11-25)32(36)23(4)27-12-13-28-26-19-31(38-7)35-20-24(35)14-17-34(35,6)29(26)15-16-33(27,28)5/h8-11,18,21,23-24,26-29,31-32,36H,12-17,19-20H2,1-7H3/b30-18+/t23-,24+,26-,27+,28-,29-,31+,32-,33+,34+,35-,39-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(OC6=CC(=CC(=C6)Cl)Cl)OP(=O)(OC7=CC=CC=C7)OC8=CC=CC=C8
InChI: InChI=1S/C49H44Cl2N2O12P2S/c1-33-31-53(48(55)52-47(33)54)46-30-44(45(60-46)32-59-49(34-13-7-4-8-14-34,35-19-23-39(57-2)24-20-35)36-21-25-40(58-3)26-22-36)64-67(68,63-43-28-37(50)27-38(51)29-43)65-66(56,61-41-15-9-5-10-16-41)62-42-17-11-6-12-18-42/h4-29,31,44-46H,30,32H2,1-3H3,(H,52,54,55)/t44-,45+,46+,67?/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CS2)C
InChI: InChI=1S/C16H23NO3S/c1-10-5-4-6-13(12(10)3)17-14(18)9-20-16(19)15-11(2)7-8-21-15/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,17,18)/t10-,12+,13+/m0/s1
SMILES: CC1(CC2=C([C@@H]([C@@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI: InChI=1S/C25H21NO4/c1-25(2)10-16-21(17(27)11-25)20(13-7-8-18-19(9-13)30-12-29-18)22-23(26-16)14-5-3-4-6-15(14)24(22)28/h3-9,20,22H,10-12H2,1-2H3/t20-,22+/m0/s1
SMILES: CC(C)[C@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C2=CN=CN2)NC(=O)C
InChI: InChI=1S/C14H21N3O4/c1-7(2)12(17-8(3)18)13-9(10-5-15-6-16-10)4-11(21-13)14(19)20/h5-7,9,11-13H,4H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)/t9-,11+,12+,13+/m0/s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@H]3C=CC[C@H]3[C@H](N2)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C21H20ClNO3/c1-25-17-11-10-16(22)18-14-4-3-5-15(14)19(23-20(17)18)12-6-8-13(9-7-12)21(24)26-2/h3-4,6-11,14-15,19,23H,5H2,1-2H3/t14-,15+,19+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4CC[C@]3([C@@H]2[C@H]1C)C)(CC[C@@H](C5(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3/t20-,21+,23+,25+,26+,27-,29-,30-,31-,32+/m1/s1
SMILES: CCCCC/C=C\[C@H]1[C@H](COCO1)OC(=O)[C@H](C)OC2=CC=CC=C2F
InChI: InChI=1S/C20H27FO5/c1-3-4-5-6-7-12-18-19(13-23-14-24-18)26-20(22)15(2)25-17-11-9-8-10-16(17)21/h7-12,15,18-19H,3-6,13-14H2,1-2H3/b12-7-/t15-,18-,19-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)O
InChI: InChI=1S/C45H74N12O8/c46-32(18-13-23-52-44(47)48)39(60)55-33(19-14-24-53-45(49)50)40(61)51-22-12-6-4-2-1-3-5-7-21-38(59)54-34(28-58)41(62)56-27-31-17-9-8-15-29(31)25-36(56)42(63)57-35-20-11-10-16-30(35)26-37(57)43(64)65/h8-9,15,17,30,32-37,58H,1-7,10-14,16,18-28,46H2,(H,51,61)(H,54,59)(H,55,60)(H,64,65)(H4,47,48,52)(H4,49,50,53)/t30-,32-,33-,34-,35-,36+,37-/m0/s1
SMILES: C[C@@]1([C@H]2[C@@H](C3=C(O1)C=CC(=C3)[N+](=O)[O-])N4[C@H](CCC5=CC=CC=C54)C(=O)O2)C(OC)OC
InChI: InChI=1S/C23H24N2O7/c1-23(22(29-2)30-3)20-19(15-12-14(25(27)28)9-11-18(15)32-23)24-16-7-5-4-6-13(16)8-10-17(24)21(26)31-20/h4-7,9,11-12,17,19-20,22H,8,10H2,1-3H3/t17-,19-,20-,23-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C)Cl)Cl)C6=CC=CC=C6)O
InChI: InChI=1S/C27H24Cl2N4O6/c1-3-39-20-13-15(9-10-19(20)34)21-17-11-12-31-24(37)32(16-7-5-4-6-8-16)25(38)33(31)18(17)14-26(28)22(35)30(2)23(36)27(21,26)29/h4-11,13,18,21,34H,3,12,14H2,1-2H3/t18-,21+,26-,27+/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Br)O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C40H36BrNO5/c41-25-16-19-33(43)31(20-25)36-27-17-18-28-35(39(47)42(38(28)46)26-14-8-3-9-15-26)30(27)21-32-37(45)29(23-10-4-1-5-11-23)22-34(44)40(32,36)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-17,19-20,22,26,28,30,32,35-36,43H,3,8-9,14-15,18,21H2/t28-,30+,32-,35-,36+,40-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)CO)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H22N6O9/c1-11-7-25(21(32)22-19(11)30)17-6-15(16(9-29)36-17)26-18(14(8-28)23-24-26)20(31)35-10-12-2-4-13(5-3-12)27(33)34/h2-5,7,15-17,28-29H,6,8-10H2,1H3,(H,22,30,32)/t15-,16+,17+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C[N+]2=CSC(=C2C)C)C(C)C
InChI: InChI=1S/C17H28NO2S/c1-11(2)15-7-6-12(3)8-16(15)20-17(19)9-18-10-21-14(5)13(18)4/h10-12,15-16H,6-9H2,1-5H3/q+1/t12-,15-,16+/m1/s1
SMILES: CN(C)C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16-,18+,19+,20+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5C
InChI: InChI=1S/C25H22N2O3/c1-16-12-14-18(15-13-16)26-24(28)21-22(20-11-7-6-8-17(20)2)27(30-23(21)25(26)29)19-9-4-3-5-10-19/h3-15,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: C1C=C(C[C@@H]([C@H]1C(=O)O)C(=O)NC2=CC=CC3=CC=CC=C32)Cl
InChI: InChI=1S/C18H16ClNO3/c19-12-8-9-14(18(22)23)15(10-12)17(21)20-16-7-3-5-11-4-1-2-6-13(11)16/h1-8,14-15H,9-10H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1
SMILES: CCC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C20H27N5O/c1-2-15-9-11-17(12-10-15)20-21-23-25(22-20)14-19(26)24-13-5-7-16-6-3-4-8-18(16)24/h9-12,16,18H,2-8,13-14H2,1H3/t16-,18-/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@H]([C@H]1O2)CCC3=CC=CC=C3CCCC(=O)O)CO
InChI: InChI=1S/C19H26O4/c20-12-16-15(17-10-11-18(16)23-17)9-8-14-5-2-1-4-13(14)6-3-7-19(21)22/h1-2,4-5,15-18,20H,3,6-12H2,(H,21,22)/t15-,16+,17+,18-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2C[C@H](C45[C@@]3(CCC(C4O5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C)Cl)C)C(C)C
InChI: InChI=1S/C35H59ClO7/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-21-16-27(36)35-31(43-35)25(13-15-34(35,6)24(21)12-14-33(22,23)5)41-32-30(40)29(39)28(38)26(17-37)42-32/h18-32,37-40H,7-17H2,1-6H3/t19-,20-,21?,22-,23?,24?,25?,26-,27-,28+,29+,30-,31?,32-,33-,34-,35?/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)OC)Cl)CBr)Cl
InChI: InChI=1S/C30H25BrCl2N2O7/c1-14(36)15-3-5-16(6-4-15)35-25(38)20-10-9-18-21(23(20)26(35)39)12-29(32)27(40)34(13-31)28(41)30(29,33)24(18)19-8-7-17(37)11-22(19)42-2/h3-9,11,20-21,23-24,37H,10,12-13H2,1-2H3/t20-,21+,23-,24+,29+,30-/m0/s1
SMILES: CCCCCCCCC[C@@H]1C[C@H]([C@@H](N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C26H37NO2S/c1-2-3-4-5-6-7-12-17-23-21-26(30(28,29)24-18-13-9-14-19-24)25(27-23)20-22-15-10-8-11-16-22/h8-11,13-16,18-19,23,25-27H,2-7,12,17,20-21H2,1H3/t23-,25+,26-/m1/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@H]3C[C@H]2C=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C22H26N2O2S/c25-27(26,22-8-7-18-3-1-2-4-19(18)15-22)24-11-9-23(10-12-24)16-21-14-17-5-6-20(21)13-17/h1-8,15,17,20-21H,9-14,16H2/t17-,20-,21+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)OC(=O)C)C
InChI: InChI=1S/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-25(26)23(35-17(2)30)14-27(4)21(10-12-28(22,27)32)18-5-8-24(31)33-15-18/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3/t19-,20+,21-,22-,23-,25-,26+,27-,28+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)C3SCCS3
InChI: InChI=1S/C18H25NOS2/c1-12-4-3-5-16(13(12)2)19-17(20)14-6-8-15(9-7-14)18-21-10-11-22-18/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3,(H,19,20)/t12-,13+,16+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H]1[C@H]3C(=C[C@@H]([C@@]2(OO3)C)OO)C(C)C
InChI: InChI=1S/C15H24O4/c1-8(2)10-7-12(17-16)15(4)11-6-5-9(3)13(11)14(10)18-19-15/h7-9,11-14,16H,5-6H2,1-4H3/t9-,11+,12+,13-,14-,15-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)O)CCCCO)CCCCO)N(CCOCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C43H57N3O13/c1-2-22-56-43-38(45(18-24-54-25-21-49)42(51)57-32-15-12-30(13-16-32)46(52)53)28-36(44-59-39-11-5-8-23-55-39)34-26-29(9-3-6-19-47)33(10-4-7-20-48)40(41(34)43)35-27-31(50)14-17-37(35)58-43/h2,12-17,26-27,29,33,38-41,47-50H,1,3-11,18-25,28H2/t29-,33+,38-,39?,40+,41+,43+/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)/C=C/C5=CC=C(C=C5)O
InChI: InChI=1S/C25H21N3O4S/c29-17-8-5-15(6-9-17)3-4-16-7-10-19-18(14-16)25(32)28-12-11-20(22(28)24(31)26-19)27-23(30)21-2-1-13-33-21/h1-10,13-14,20,22,29H,11-12H2,(H,26,31)(H,27,30)/b4-3+/t20-,22-/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)CNC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN(C)CC=C
InChI: InChI=1S/C31H38F3N3O5/c1-4-15-36(3)18-26-20(2)27(23-11-9-22(19-38)10-12-23)42-29(41-26)24-13-7-21(8-14-24)17-35-28(39)25-6-5-16-37(25)30(40)31(32,33)34/h4,7-14,20,25-27,29,38H,1,5-6,15-19H2,2-3H3,(H,35,39)/t20-,25+,26+,27+,29+/m1/s1
SMILES: CCCC[Sn](C/C=C/[C@H]1[C@@H](CC(C1)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)/C=C/C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChI: InChI=1S/C25H28O4S2.6C4H9.2Sn/c1-5-7-21-17-25(18-22(21)8-6-2,30(26,27)23-13-9-19(3)10-14-23)31(28,29)24-15-11-20(4)12-16-24;6*1-3-4-2;;/h5-16,21-22H,1-2,17-18H2,3-4H3;6*1,3-4H2,2H3;;/b7-5+,8-6+;;;;;;;;/t21-,22-;;;;;;;;/m1......../s1
SMILES: CC(=O)[C@@H]1C[C@H]2[C@@H](C[C@@]1(C(=O)C2(C)C)C)C(C)(C)O
InChI: InChI=1S/C16H26O3/c1-9(17)10-7-11-12(15(4,5)19)8-16(10,6)13(18)14(11,2)3/h10-12,19H,7-8H2,1-6H3/t10-,11-,12+,16-/m0/s1
SMILES: C/C=C/C=C/[C@H]1C([C@H]([C@H]([C@](O1)(C(CNC(=O)CC2=CC=CC=C2)C(=O)NC/C=C/C=C(\C)/C(C(C)C3CC(C(O3)/C=C\C=C\C=C/C(=O)O)O)OC)O)O)O)(C)C
InChI: InChI=1S/C44H60N2O11/c1-7-8-12-23-36-43(4,5)40(51)41(52)44(54,57-36)32(28-46-37(48)26-31-20-13-11-14-21-31)42(53)45-25-18-17-19-29(2)39(55-6)30(3)35-27-33(47)34(56-35)22-15-9-10-16-24-38(49)50/h7-24,30,32-36,39-41,47,51-52,54H,25-28H2,1-6H3,(H,45,53)(H,46,48)(H,49,50)/b8-7+,10-9+,18-17+,22-15-,23-12+,24-16-,29-19+/t30?,32?,33?,34?,35?,36-,39?,40-,41+,44+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)CO)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O
InChI: InChI=1S/C34H42N2O6/c1-34(2,3)42-33(41)35-28(18-22-9-5-4-6-10-22)29(38)20-26(17-23-13-15-24(21-37)16-14-23)32(40)36-31-27-12-8-7-11-25(27)19-30(31)39/h4-16,26,28-31,37-39H,17-21H2,1-3H3,(H,35,41)(H,36,40)/t26-,28+,29+,30-,31+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C\C4=CC=CC=C4)C)C)C(=C)CO2)C
InChI: InChI=1S/C41H61NO9/c1-12-32-41(9)33(25(3)23-48-41)27(5)34(43)24(2)22-40(8,47-20-16-19-30-17-14-13-15-18-30)37(28(6)35(44)29(7)38(46)50-32)51-39-36(45)31(42(10)11)21-26(4)49-39/h13-19,24,26-29,31-33,36-37,39,45H,3,12,20-23H2,1-2,4-11H3/b19-16-/t24-,26-,27?,28+,29?,31+,32-,33+,36-,37-,39+,40-,41-/m1/s1
SMILES: COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/p-1/t12-,13-/m1/s1
SMILES: CC(CC(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C)NC(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C27H37NO2/c1-20(19-25(29)30-24-18-12-11-17-23(24)27(2,3)4)28-26(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,20,23-24,26,28H,11-12,17-19H2,1-4H3/t20?,23-,24-/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CCC4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C(=O)C(=O)C6=CC=CO6)C)CN1C
InChI: InChI=1S/C29H40N2O3/c1-18-22-9-10-24-21-8-7-19-16-20(31(4)27(33)26(32)25-6-5-15-34-25)11-13-28(19,2)23(21)12-14-29(22,24)17-30(18)3/h5-7,15,18,20-24H,8-14,16-17H2,1-4H3/t18-,20-,21+,22+,23?,24-,28-,29-/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC5CCCCC5
InChI: InChI=1S/C24H33N5O2/c1-31-21-9-7-17(8-10-21)23-16-29(27-26-23)14-20-13-18-11-12-28(20)15-22(18)24(30)25-19-5-3-2-4-6-19/h7-10,16,18-20,22H,2-6,11-15H2,1H3,(H,25,30)/t18-,20-,22+/m1/s1
SMILES: C1=C(C2=C(N1)C(=O)NC(=O)N2)[C@]3([C@@H]([C@@H]([C@H](N3)CO)O)O)N
InChI: InChI=1S/C11H15N5O5/c12-11(8(19)7(18)4(2-17)16-11)3-1-13-6-5(3)14-10(21)15-9(6)20/h1,4,7-8,13,16-19H,2,12H2,(H2,14,15,20,21)/t4-,7-,8-,11+/m1/s1
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@H]5[C@@H](C4)OC(O5)(C)C)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
InChI: InChI=1S/C30H48O7/c1-25(2,33)11-10-24(32)29(7,34)23-9-13-30(35)18-14-20(31)19-15-21-22(37-26(3,4)36-21)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27+,28+,29+,30+/m0/s1
SMILES: CC1([C@@H]2C[C@H]1C3=CN=C(C=C3[C@H]2CC4=C(C5=CC=CC=C5C=C4)C[C@H]6[C@H]7C[C@H](C7(C)C)C8=CN=C(C=C68)C9=CC=CC=N9)C1=CC=CC=N1)C
InChI: InChI=1S/C46H44N4/c1-45(2)37-23-39(45)35-25-49-43(41-13-7-9-17-47-41)21-31(35)33(37)19-28-16-15-27-11-5-6-12-29(27)30(28)20-34-32-22-44(42-14-8-10-18-48-42)50-26-36(32)40-24-38(34)46(40,3)4/h5-18,21-22,25-26,33-34,37-40H,19-20,23-24H2,1-4H3/t33-,34-,37-,38-,39+,40+/m1/s1
SMILES: COC1([C@@]2([C@@H]([C@@]2(C(=N1)N)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C#N)OC
InChI: InChI=1S/C15H12ClN5O4/c1-24-15(25-2)14(7-18)11(13(14,6-17)12(19)20-15)9-4-3-8(21(22)23)5-10(9)16/h3-5,11H,1-2H3,(H2,19,20)/t11-,13-,14-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CC2CC2)[C@H]3[C@@H]([C@]4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H49N3O8SSi2/c1-18-14-31(25(33)30(23(18)32)15-19-12-13-19)24-22(38-42(10,11)27(5,6)7)28(20(29)17-40(34,35)39-28)21(37-24)16-36-41(8,9)26(2,3)4/h14,17,19,21-22,24H,12-13,15-16,29H2,1-11H3/t21-,22+,24-,28-/m1/s1
SMILES: C1CSC(=N1)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]4[C@@H]3CC=C4
InChI: InChI=1S/C13H18N2S/c1-2-9-8-6-11(10(9)3-1)12(7-8)15-13-14-4-5-16-13/h1,3,8-12H,2,4-7H2,(H,14,15)/t8-,9-,10+,11-,12-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]5[C@H]2[C@H]([C@H]3[C@@H]5[C@H]4I)O
InChI: InChI=1S/C11H13IO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13/h2-11,13H,1H2/t2-,3-,4-,5-,6+,7+,8-,9-,10+,11-/m1/s1