EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]([C@H]2CCOC(=O)C(C)(C)C)O)C)OCOCCOC
InChI: InChI=1S/C29H54O6/c1-20(2)10-9-11-21(3)23-18-25(35-19-33-17-16-32-8)26-22(24(30)12-14-29(23,26)7)13-15-34-27(31)28(4,5)6/h20-26,30H,9-19H2,1-8H3/t21-,22-,23-,24-,25+,26-,29-/m1/s1
SMILES: CC(=O)CCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1F)COC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C29H40FNO17/c1-12(32)8-9-21(39)47-27-26(24(43-17(6)37)19(45-28(27)30)10-40-14(3)34)48-29-22(31-13(2)33)25(44-18(7)38)23(42-16(5)36)20(46-29)11-41-15(4)35/h19-20,22-29H,8-11H2,1-7H3,(H,31,33)/t19-,20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCC(CC4)N5CCCCC5)O)C
InChI: InChI=1S/C25H40N2O3/c1-17-7-6-8-18-15-21-22(23(28)25(17,18)2)20(24(29)30-21)16-26-13-9-19(10-14-26)27-11-4-3-5-12-27/h8,17,19-23,28H,3-7,9-16H2,1-2H3/t17-,20-,21-,22-,23-,25-/m1/s1
SMILES: COC1=CC=CC(=C1)C(=O)[C@@H]2[C@H](C3([C@H]4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7F
InChI: InChI=1S/C34H23F2NO4/c1-41-22-8-6-7-20(18-22)31(38)30-29(25-11-4-5-12-26(25)36)34(32(39)23-9-2-3-10-24(23)33(34)40)28-16-13-19-17-21(35)14-15-27(19)37(28)30/h2-18,28-30H,1H3/t28-,29+,30-/m0/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=C(C=CC=C3Cl)F)C(=O)[C@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C22H23ClFNO5/c1-5-30-22(28)16-11(3)25-14-9-10(2)15(21(27)29-4)20(26)18(14)19(16)17-12(23)7-6-8-13(17)24/h6-8,10,15,19,25H,5,9H2,1-4H3/t10-,15-,19+/m0/s1
SMILES: C[N+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)[C@H]3CC(=O)O[C@@H]3C4=CC=CC=C4OC
InChI: InChI=1S/C23H32NO5/c1-24-12-6-5-10-19(24)16(8-7-13-24)15-28-23(26)18-14-21(25)29-22(18)17-9-3-4-11-20(17)27-2/h3-4,9,11,16,18-19,22H,5-8,10,12-15H2,1-2H3/q+1/t16-,18-,19+,22+,24?/m0/s1
SMILES: C1CC(C1)(CC2CC2)C(C/C=C/[C@H]3[C@@H](C[C@H]([C@@H]3CCCCCCC(=O)O)F)O)O
InChI: InChI=1S/C24H39FO4/c25-20-15-21(26)19(18(20)7-3-1-2-4-10-23(28)29)8-5-9-22(27)24(13-6-14-24)16-17-11-12-17/h5,8,17-22,26-27H,1-4,6-7,9-16H2,(H,28,29)/b8-5+/t18-,19-,20-,21-,22?/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C43H57N3O11/c1-7-9-23-54-42(50)46(3)38-27-35(45-53-6)32-24-28(14-10-12-20-47)31(15-11-13-21-48)39-33-25-30(17-19-36(33)57-43(38,40(32)39)55-22-8-2)56-41(49)44-34-18-16-29(51-4)26-37(34)52-5/h7-8,16-19,24-26,28,31,38-40,47-48H,1-2,9-15,20-23,27H2,3-6H3,(H,44,49)/t28-,31+,38-,39+,40+,43+/m0/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)S(=O)(=O)C
InChI: InChI=1S/C24H39NO4S/c1-5-14-25(30(4,28)29)16-24(27)13-10-21-19-7-6-17-15-18(26)8-11-22(17,2)20(19)9-12-23(21,24)3/h6-7,18,20-21,26-27H,5,8-16H2,1-4H3/t18-,20-,21-,22-,23-,24+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(N(C)CCBr)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CCCC(C)C)C)C)C(C)C
InChI: InChI=1S/C40H71BrNO3P/c1-27(2)11-10-12-30(6)35-17-18-36-34-16-14-31-26-32(19-21-39(31,7)37(34)20-22-40(35,36)8)44-46(43,42(9)24-23-41)45-38-25-29(5)13-15-33(38)28(3)4/h14,27-30,32-38H,10-13,15-26H2,1-9H3/t29-,30-,32+,33+,34+,35-,36+,37+,38-,39+,40-,46?/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C(=O)N[C@H](C)C5=CC=CC=C5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CC=C7C8=CC=CC=C8)C
InChI: InChI=1S/C54H66N2O4/c1-36-15-14-29-53(5)48(45-27-23-38(31-43(57)26-22-36)32-47(45)50(58)46-21-13-12-20-44(46)40-18-10-7-11-19-40)28-30-54(53,60)35-56(34-41-24-25-42-33-49(41)52(42,3)4)51(59)55-37(2)39-16-8-6-9-17-39/h6-13,15-21,23,27,32,37,41-43,48-49,57,60H,14,22,24-26,28-31,33-35H2,1-5H3,(H,55,59)/t37-,41+,42+,43+,48+,49+,53+,54-/m1/s1
SMILES: CCOC(=O)C1(CC(=C)[C@@]2([C@H]1CC=C2O[Si](C(C)C)(C(C)C)C(C)C)C)C(=O)OCC
InChI: InChI=1S/C25H42O5Si/c1-11-28-22(26)25(23(27)29-12-2)15-19(9)24(10)20(25)13-14-21(24)30-31(16(3)4,17(5)6)18(7)8/h14,16-18,20H,9,11-13,15H2,1-8,10H3/t20-,24-/m1/s1
SMILES: C1[C@@H]([C@H](C(=O)N1)C(=O)N/N=C\C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H23N3O3/c29-24-23(22(16-26-24)20-11-5-2-6-12-20)25(30)28-27-15-19-10-7-13-21(14-19)31-17-18-8-3-1-4-9-18/h1-15,22-23H,16-17H2,(H,26,29)(H,28,30)/b27-15-/t22-,23-/m1/s1
SMILES: CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)[C@@H]2C[C@@H]2C)N
InChI: InChI=1S/C14H19N3O5/c1-3-4-17-11(15)10(12(19)16-14(17)21)9(18)6-22-13(20)8-5-7(8)2/h7-8H,3-6,15H2,1-2H3,(H,16,19,21)/t7-,8+/m0/s1
SMILES: CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H](C23CC[C@H](C1([C@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,22-,24-,25+,26-,27?,28?;/m1./s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(C9=CC=CC=C89)O)C(=O)N(C7=O)C1=CC=C(C=C1)NC1=CC=CC=C1)C
InChI: InChI=1S/C50H40ClN5O5S/c1-26-36-23-27(51)13-22-41(36)62-45(26)39-25-42(54(3)53-39)56-47(59)38-24-37-34(44(50(38,2)49(56)61)33-20-21-40(57)32-12-8-7-11-31(32)33)18-19-35-43(37)48(60)55(46(35)58)30-16-14-29(15-17-30)52-28-9-5-4-6-10-28/h4-18,20-23,25,35,37-38,43-44,52,57H,19,24H2,1-3H3/t35-,37+,38-,43-,44-,50+/m0/s1
SMILES: CC(=O)OC[C@]1([C@H]([C@@H]([C@@H]([C@H](O1)N=[N+]=[N-])OC(=O)C)OC(=O)C)O)OC
InChI: InChI=1S/C13H19N3O9/c1-6(17)22-5-13(21-4)11(20)9(23-7(2)18)10(24-8(3)19)12(25-13)15-16-14/h9-12,20H,5H2,1-4H3/t9-,10+,11+,12+,13+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)F
InChI: InChI=1S/C30H29FN2O5/c1-20-18-33(29(35)32-28(20)34)27-17-25(31)26(38-27)19-37-30(21-9-5-3-6-10-21,22-11-7-4-8-12-22)23-13-15-24(36-2)16-14-23/h3-16,18,25-27H,17,19H2,1-2H3,(H,32,34,35)/t25-,26+,27+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]
InChI: InChI=1S/C16H22N2O3S/c1-10-5-3-7-13(11(10)2)18-14(19)9-22-15-12(16(20)21)6-4-8-17-15/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t10-,11+,13-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)NC3=CC=C(C=C3)OC)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC6=CC=CC=C6S5)C
InChI: InChI=1S/C43H52N2O6S/c1-29-9-7-21-42(2)37(20-22-43(42,49)28-45(23-8-24-50-3)41(48)44-32-14-17-34(51-4)18-15-32)35-19-13-30(25-33(46)16-12-29)26-36(35)40(47)39-27-31-10-5-6-11-38(31)52-39/h5-6,9-11,13-15,17-19,26-27,33,37,46,49H,7-8,12,16,20-25,28H2,1-4H3,(H,44,48)/t33-,37-,42-,43+/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)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC=C(C=C7)C=CC8=C(C=CC(=C8)OC)OC
InChI: InChI=1S/C45H42N2O8/c1-5-55-37-13-9-12-33(40(37)48)39-31-21-22-32-38(34(31)25-35-42(50)47(44(52)45(35,39)2)28-10-7-6-8-11-28)43(51)46(41(32)49)29-18-15-26(16-19-29)14-17-27-24-30(53-3)20-23-36(27)54-4/h6-21,23-24,32,34-35,38-39,48H,5,22,25H2,1-4H3/t32-,34+,35-,38-,39+,45+/m0/s1
SMILES: C[C@@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21+,22-,23-,25+,26+/m0/s1
SMILES: CCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)OCCCC=C)COCC5=CC=CC=C5)COCC6=CC=CC=C6)OC(=O)C)OC(=O)C
InChI: InChI=1S/C63H84N2O15/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-28-38-53(69)64-54-58(76-45(4)67)56(75-44(3)66)51(42-72-40-47-32-24-22-25-33-47)78-62(54)80-57-52(43-73-41-48-34-26-23-27-35-48)79-63(74-39-31-9-7-2)55(59(57)77-46(5)68)65-60(70)49-36-29-30-37-50(49)61(65)71/h7,13-14,22-27,29-30,32-37,51-52,54-59,62-63H,2,6,8-12,15-21,28,31,38-43H2,1,3-5H3,(H,64,69)/b14-13-/t51-,52-,54-,55-,56-,57-,58-,59-,62+,63-/m1/s1
SMILES: C[C@H]1[C@@H](C2=C(CN1S(=O)(=O)C3=CC=CC=C3)N=C(O2)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H22N2O4S/c1-18-23(24(29)19-11-5-2-6-12-19)25-22(27-26(32-25)20-13-7-3-8-14-20)17-28(18)33(30,31)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3/t18-,23+/m0/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)O)C5=CC=C(C=C5)O
InChI: InChI=1S/C23H19NO6/c1-10-8-17(26)16-9-15-13(6-7-14-19(15)23(29)24(30)22(14)28)18(20(16)21(10)27)11-2-4-12(25)5-3-11/h2-6,8,14-15,18-19,25,30H,7,9H2,1H3/t14-,15+,18-,19-/m0/s1
SMILES: C[C@@]12[C@@H]3CC[C@@H]3C(=O)N1[C@H](CO2)C4=CC=CC=C4
InChI: InChI=1S/C15H17NO2/c1-15-12-8-7-11(12)14(17)16(15)13(9-18-15)10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12+,13+,15+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H]3C[C@@](NC2=O)(OC4=CC=CC=C34)C
InChI: InChI=1S/C19H19NO4S/c1-12-7-9-13(10-8-12)25(22,23)17-15-11-19(2,20-18(17)21)24-16-6-4-3-5-14(15)16/h3-10,15,17H,11H2,1-2H3,(H,20,21)/t15-,17+,19-/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)[N+](=O)[O-]
InChI: InChI=1S/C38H27ClFN3O7/c39-21-8-4-9-24(18-21)42-35(46)29-19-28-25(16-17-26-31(28)36(47)41(34(26)45)22-12-14-23(15-13-22)43(49)50)32(27-10-5-11-30(40)33(27)44)38(29,37(42)48)20-6-2-1-3-7-20/h1-16,18,26,28-29,31-32,44H,17,19H2/t26-,28+,29-,31-,32+,38+/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@H](C[C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@H]1CC(=O)[C@](O2)(C)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C46H56O7Si/c1-44(2,3)54(36-22-14-8-15-23-36,37-24-16-9-17-25-37)50-33-46(5)42(47)29-43-45(4,53-46)27-26-38-40(52-43)28-39(49-31-35-20-12-7-13-21-35)41(51-38)32-48-30-34-18-10-6-11-19-34/h6-25,38-41,43H,26-33H2,1-5H3/t38-,39-,40+,41+,43-,45+,46-/m0/s1
SMILES: C[C@@H]1C=C([C@H]2[C@@H]([C@@]1(CO[C@@H]2C3=CC=CC=C3)CO)C)C
InChI: InChI=1S/C18H24O2/c1-12-9-13(2)18(10-19)11-20-17(16(12)14(18)3)15-7-5-4-6-8-15/h4-9,13-14,16-17,19H,10-11H2,1-3H3/t13-,14+,16+,17-,18-/m1/s1
SMILES: CC(CC1=CC(=CC=C1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C31H44O3/c1-20(16-22-8-6-10-25(17-22)30(3,4)34)27-13-14-28-23(9-7-15-31(27,28)5)11-12-24-18-26(32)19-29(33)21(24)2/h6,8,10-12,17,20,26-29,32-34H,2,7,9,13-16,18-19H2,1,3-5H3/b23-11+,24-12+/t20?,26-,27-,28+,29+,31-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H]([C@H]3[C@H]([C@@H]2OC)OC4(CCCCC4(O3)OC)OC)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])C
InChI: InChI=1S/C45H57N3O12/c1-43(2)57-38-36(49-3)39-41(60-45(51-5)24-16-15-23-44(45,50-4)59-39)37(40(38)58-43)56-42-33(47-48-46)35(54-27-31-21-13-8-14-22-31)34(53-26-30-19-11-7-12-20-30)32(55-42)28-52-25-29-17-9-6-10-18-29/h6-14,17-22,32-42H,15-16,23-28H2,1-5H3/t32-,33-,34-,35-,36-,37+,38-,39+,40+,41+,42-,44?,45?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C32H43NO7SSi/c1-32(2,3)42(4,5)40-31-28(33-41(35,36)26-19-13-8-14-20-26)30(38-22-25-17-11-7-12-18-25)29(34)27(39-31)23-37-21-24-15-9-6-10-16-24/h6-20,27-31,33-34H,21-23H2,1-5H3/t27-,28-,29-,30-,31-/m1/s1
SMILES: CCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4C(C[C@@H]23)C)C5=CC=C(C=C5)N6CCCCC6)C)C#CCO
InChI: InChI=1S/C36H45NO3/c1-4-33(40)36(16-8-20-38)17-15-32-30-21-24(2)29-22-27(39)13-14-28(29)34(30)31(23-35(32,36)3)25-9-11-26(12-10-25)37-18-6-5-7-19-37/h9-12,22,24,30-32,38H,4-7,13-15,17-21,23H2,1-3H3/t24?,30-,31+,32-,35-,36+/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CSC)OC(=O)CC(C)C)C)O)F)C
InChI: InChI=1S/C28H39FO5S/c1-16(2)11-24(33)34-28(23(32)15-35-6)17(3)12-21-20-8-7-18-13-19(30)9-10-25(18,4)27(20,29)22(31)14-26(21,28)5/h9-10,13,16-17,20-22,31H,7-8,11-12,14-15H2,1-6H3/t17-,20-,21-,22-,25-,26-,27-,28-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CC[C@@H]4[C@@]3(CC=CC4)C
InChI: InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14-,15-,16-,18+,19+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(C(=O)CC5C4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1
InChI: InChI=1S/C39H60O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h5,17-18,20-26,28-36,40-41,43-47H,6-16H2,1-4H3/t17-,18+,20+,21?,22?,23?,24?,25-,26-,28?,29-,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=CC(=NC2=S)N)CO
InChI: InChI=1S/C23H39N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(28)31-21-17(16-27)30-22(20(21)29)26-15-14-18(24)25-23(26)32/h14-15,17,20-22,27,29H,2-13,16H2,1H3,(H2,24,25,32)/t17-,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)CN5C(=O)C6=CC=CC=C6C5=O)CSC7=NC=CC=N7
InChI: InChI=1S/C38H33N3O5S/c1-24-33(23-47-38-39-17-6-18-40-38)45-37(46-34(24)27-15-13-25(22-42)14-16-27)30-10-5-9-29(20-30)28-8-4-7-26(19-28)21-41-35(43)31-11-2-3-12-32(31)36(41)44/h2-20,24,33-34,37,42H,21-23H2,1H3/t24-,33+,34+,37+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)C(F)(F)F)C(=O)NCCO)CO
InChI: InChI=1S/C33H31F3N2O9/c1-44-26-12-18(15-40)10-21-27-22(31(42)37-8-9-39)13-23(28(41)30(27)47-29(21)26)38(14-17-2-7-24-25(11-17)46-16-45-24)32(43)19-3-5-20(6-4-19)33(34,35)36/h2-7,10-13,23,27-28,30,39-41H,8-9,14-16H2,1H3,(H,37,42)/t23-,27+,28+,30+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CC(=C4[C@@]3(C=CC(=O)N4)C)OC5=C(C(=C(C(=C5C#N)C#N)O)Cl)Cl
InChI: InChI=1S/C28H27Cl2N3O5/c1-27-8-6-17-13(16(27)4-5-18(27)26(36)37-3)10-19(25-28(17,2)9-7-20(34)33-25)38-24-15(12-32)14(11-31)23(35)21(29)22(24)30/h7,9,13,16-18,35H,4-6,8,10H2,1-3H3,(H,33,34)/t13-,16-,17-,18+,27-,28+/m0/s1
SMILES: C[C@]12C[C@H]([C@@H](C(=O)N1CC3=CC=CO3)C(=O)[O-])C4=CC=CC=C4O2
InChI: InChI=1S/C18H17NO5/c1-18-9-13(12-6-2-3-7-14(12)24-18)15(17(21)22)16(20)19(18)10-11-5-4-8-23-11/h2-8,13,15H,9-10H2,1H3,(H,21,22)/p-1/t13-,15-,18-/m0/s1
SMILES: CCN1C(=CC(=N1)C2=C(N3[C@H](C2)[C@H](C3=O)[C@@H](C)O)C(=O)OCOC(=O)OC4CCCCC4)C
InChI: InChI=1S/C23H31N3O7/c1-4-25-13(2)10-17(24-25)16-11-18-19(14(3)27)21(28)26(18)20(16)22(29)31-12-32-23(30)33-15-8-6-5-7-9-15/h10,14-15,18-19,27H,4-9,11-12H2,1-3H3/t14-,18-,19-/m1/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@H]3CN4CCSCC4
InChI: InChI=1S/C19H29NO2S/c1-13-4-3-5-19(2)11-17-14(10-16(13)19)15(18(21)22-17)12-20-6-8-23-9-7-20/h14-15,17H,3-12H2,1-2H3/t14-,15+,17-,19-/m1/s1
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C1C=C(C(=C4O)N)C#C)O)C(=O)N)N(C)C)O
InChI: InChI=1S/C24H25N3O8/c1-5-8-6-9-7(2)10-12(17(28)11(9)19(30)15(8)25)21(32)24(35)14(18(10)29)16(27(3)4)20(31)13(22(24)33)23(26)34/h1,6-7,10,12-14,16,18,29-30,35H,25H2,2-4H3,(H2,26,34)/t7-,10+,12?,13?,14+,16-,18-,24-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)N[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C13H18N2O5/c1-7(17)14-8-2-4-9(5-3-8)15-13-12(19)11(18)10(6-16)20-13/h2-5,10-13,15-16,18-19H,6H2,1H3,(H,14,17)/t10-,11-,12+,13+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4Cl)C
InChI: InChI=1S/C20H18ClN5O3/c1-11-7-8-13(9-12(11)2)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-15-6-4-3-5-14(15)21/h3-9,17-18H,10H2,1-2H3,(H,22,27)/t17-,18+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl
InChI: InChI=1S/C16H20ClN5O3S/c1-10(2)11-3-5-12(6-4-11)16-19-21-22(20-16)7-15(23)18-14-9-26(24,25)8-13(14)17/h3-6,10,13-14H,7-9H2,1-2H3,(H,18,23)/t13-,14-/m1/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1CC(=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@H]1C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C31H46O8/c1-11-16(2)29(35)39-23-14-17(3)25-24(37-20(6)33)15-31(10)13-12-22(36-19(5)32)18(4)26(31)28(38-21(7)34)27(23)30(25,8)9/h16,22-24,26-28H,4,11-15H2,1-3,5-10H3/t16-,22-,23-,24-,26-,27-,28-,31-/m0/s1
SMILES: C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]([C@@]3(COC(=O)C(=C)CO)O)O)OC(=O)C2=C)OC(=O)C(=C)CO
InChI: InChI=1S/C23H28O10/c1-10-5-15(32-21(28)12(3)8-25)17-13(4)22(29)33-19(17)18-14(10)6-16(26)23(18,30)9-31-20(27)11(2)7-24/h14-19,24-26,30H,1-9H2/t14-,15-,16-,17+,18-,19-,23+/m0/s1
SMILES: CC1(CC2(C[C@@H]([C@@H]1NC(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)OCCO2)C
InChI: InChI=1S/C24H27NO5/c1-23(2)14-24(29-10-11-30-24)13-18(17-8-9-19-20(12-17)28-15-27-19)21(23)25-22(26)16-6-4-3-5-7-16/h3-9,12,18,21H,10-11,13-15H2,1-2H3,(H,25,26)/t18-,21+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=C)C4)C)C
InChI: InChI=1S/C28H48/c1-19(2)8-7-9-21(4)24-12-13-25-23-11-10-22-18-20(3)14-16-27(22,5)26(23)15-17-28(24,25)6/h19,21-26H,3,7-18H2,1-2,4-6H3/t21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H](/C=C/[C@@H]1C#CC[C@@H]2[C@@H](O1)C=CCO2)OC(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChI: InChI=1S/C23H32O6.6CO.2Co/c1-22(2,3)20(24)27-15-17(29-21(25)23(4,5)6)13-12-16-9-7-10-18-19(28-16)11-8-14-26-18;6*1-2;;/h8,11-13,16-19H,10,14-15H2,1-6H3;;;;;;;;/b13-12+;;;;;;;;/t16-,17+,18+,19-;;;;;;;;/m0......../s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC(=O)NCCCNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O)C=C2)C(=O)NO
InChI: InChI=1S/C41H65N9O13/c1-28(2)21-32-31(40(60)46-62)5-3-20-63-30-8-6-29(7-9-30)22-33(45-39(32)59)41(61)44-23-34(51)42-10-4-11-43-35(52)24-47-12-14-48(25-36(53)54)16-18-50(27-38(57)58)19-17-49(15-13-47)26-37(55)56/h6-9,28,31-33,62H,3-5,10-27H2,1-2H3,(H,42,51)(H,43,52)(H,44,61)(H,45,59)(H,46,60)(H,53,54)(H,55,56)(H,57,58)/t31-,32+,33-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H22FN3O2S/c20-15-9-7-14(8-10-15)18-21-22-19(25-18)26-12-17(24)23-11-3-5-13-4-1-2-6-16(13)23/h7-10,13,16H,1-6,11-12H2/t13-,16+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CC=CC=C2C(F)(F)F
InChI: InChI=1S/C16H16F6N2O4/c1-3-28-12(25)10-11(8-6-4-5-7-9(8)15(17,18)19)23-13(26)24(2)14(10,27)16(20,21)22/h4-7,10-11,27H,3H2,1-2H3,(H,23,26)/t10-,11-,14-/m1/s1
SMILES: CCN1C2=CC=CC=C2[C@@]3(C1=O)[C@H]4[C@H]([C@@H]5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)Cl
InChI: InChI=1S/C24H21Cl2N3O3/c1-2-27-16-7-4-3-6-14(16)24(23(27)32)20-19(17-8-5-11-28(17)24)21(30)29(22(20)31)18-12-13(25)9-10-15(18)26/h3-4,6-7,9-10,12,17,19-20H,2,5,8,11H2,1H3/t17-,19+,20+,24+/m1/s1
SMILES: CC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H]2[C@H](OC([C@@H]2O)N3C=NC4=C3N=CN=C4N(C)C)CO)N
InChI: InChI=1S/C22H29N7O4/c1-12-4-6-13(7-5-12)8-14(23)21(32)27-16-15(9-30)33-22(18(16)31)29-11-26-17-19(28(2)3)24-10-25-20(17)29/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22?/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@@]3(O2)[C@H](CCC4([C@]3(CCC5[C@@]4(C6=C(C5)C7=C(N6)C=CC8=C7CC9C(C8=O)C(OC9(C)C)(C)C)C)O)C)O[C@@H]1C(C)(C)OC(=O)C
InChI: InChI=1S/C41H53NO9/c1-19(43)47-31-33(37(7,8)49-20(2)44)48-27-14-15-38(9)39(10)21(13-16-40(38,46)41(27)34(31)50-41)17-24-28-23-18-25-29(36(5,6)51-35(25,3)4)30(45)22(23)11-12-26(28)42-32(24)39/h11-12,21,25,27,29,31,33-34,42,46H,13-18H2,1-10H3/t21?,25?,27-,29?,31+,33-,34+,38?,39+,40-,41-/m0/s1
SMILES: CC1=CC(=NC(=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)C
InChI: InChI=1S/C16H18N2O3/c1-8-5-9(2)17-12(6-8)18-15(19)13-10-3-4-11(7-10)14(13)16(20)21/h3-6,10-11,13-14H,7H2,1-2H3,(H,20,21)(H,17,18,19)/p-1/t10-,11+,13-,14+/m1/s1
SMILES: C/C/1=C\[C@H]([C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=C)O
InChI: InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H]5[C@@H]([C@]4([C@@]6(CO6)[Si](C)(C)C)OC(=O)C(F)(F)F)O5)C)OC7CCCCO7
InChI: InChI=1S/C31H47F3O6Si/c1-27-13-11-19(38-22-8-6-7-15-36-22)16-18(27)9-10-20-21(27)12-14-28(2)23(20)24-25(39-24)30(28,40-26(35)31(32,33)34)29(17-37-29)41(3,4)5/h18-25H,6-17H2,1-5H3/t18-,19+,20-,21+,22?,23-,24+,25+,27+,28+,29-,30+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)Cl)O
InChI: InChI=1S/C17H22ClNO4/c1-10-5-3-4-6-14(10)19-16(21)11(2)23-17(22)13-8-7-12(18)9-15(13)20/h7-11,14,20H,3-6H2,1-2H3,(H,19,21)/t10-,11+,14+/m0/s1
SMILES: CCCCCC[C@H](C[C@H]1[C@H](O1)CCCCCCCC(=O)OC)OC(=O)C
InChI: InChI=1S/C21H38O5/c1-4-5-6-10-13-18(25-17(2)22)16-20-19(26-20)14-11-8-7-9-12-15-21(23)24-3/h18-20H,4-16H2,1-3H3/t18-,19-,20+/m1/s1
SMILES: C[C@@H]([C@@]12C(=C3C(=C4[C@]1(SC5=CC=CC=C54)C)C(C(C3(F)F)(F)F)(F)F)C6=CC=CC=C6S2)OC(=O)OC7=CC=C(C=C7)OC
InChI: InChI=1S/C32H22F6O4S2/c1-16(41-27(39)42-18-14-12-17(40-3)13-15-18)29-24(20-9-5-7-11-22(20)44-29)26-25(30(33,34)32(37,38)31(26,35)36)23-19-8-4-6-10-21(19)43-28(23,29)2/h4-16H,1-3H3/t16-,28+,29+/m0/s1
SMILES: CC1(C=CC2=C(C3=C(C=C2O1)OC[C@@H]4[C@H]3OC5=CC(=C(C=C45)OC)O)OC)C
InChI: InChI=1S/C22H22O6/c1-22(2)6-5-11-16(28-22)9-18-19(20(11)25-4)21-13(10-26-18)12-7-17(24-3)14(23)8-15(12)27-21/h5-9,13,21,23H,10H2,1-4H3/t13-,21+/m0/s1
SMILES: CCCCCCCCCCO[C@@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O
InChI: InChI=1S/C34H57N3O12/c1-6-7-8-9-10-11-12-13-17-46-28-24(47-33-29(28)48-34(4,5)49-33)19-45-20-25(38)35-22(18-26(39)40)30(41)36-27(21(2)3)31(42)37-16-14-15-23(37)32(43)44/h21-24,27-29,33H,6-20H2,1-5H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)/t22-,23-,24+,27-,28+,29+,33+/m0/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O4/c19-15-13-9-5-6-10(8-7-9)14(13)16(20)17(15)11-3-1-2-4-12(11)18(21)22/h1-6,9-10,13-14H,7-8H2/t9-,10+,13-,14-/m0/s1
SMILES: C1C[C@H]([C@@H]2[C@H]1[C@@H](CC2)OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C30H20F34O4/c31-15(32,17(35,36)19(39,40)21(43,44)23(47,48)25(51,52)27(55,56)29(59,60)61)7-5-13(65)67-11-3-1-9-10(11)2-4-12(9)68-14(66)6-8-16(33,34)18(37,38)20(41,42)22(45,46)24(49,50)26(53,54)28(57,58)30(62,63)64/h9-12H,1-8H2/t9-,10-,11+,12+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)[C@H]([C@H](C(=O)N2)CCCCN(C=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H32N2O2/c29-19-28(21-13-5-2-6-14-21)18-10-9-16-23-25(20-11-3-1-4-12-20)22-15-7-8-17-24(22)27-26(23)30/h1-6,11-14,19,22-25H,7-10,15-18H2,(H,27,30)/t22-,23+,24-,25+/m0/s1
SMILES: C1[C@@H]([C@](C(=O)N1CC2=CC=CC=C2)(CC(CCl)Cl)Cl)CCl
InChI: InChI=1S/C15H17Cl4NO/c16-7-12-10-20(9-11-4-2-1-3-5-11)14(21)15(12,19)6-13(18)8-17/h1-5,12-13H,6-10H2/t12-,13?,15-/m0/s1
SMILES: CC1(CC(=O)C=C([C@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)C
InChI: InChI=1S/C16H26O8/c1-16(2)4-9(19)3-8(5-17)10(16)7-23-15-14(22)13(21)12(20)11(6-18)24-15/h3,10-15,17-18,20-22H,4-7H2,1-2H3/t10-,11-,12-,13+,14-,15-/m1/s1
SMILES: C[C@H](C(=O)N1CC[C@]2([C@H]1CC3=C(C2(C)C)C=CC=C3O)C)OCC4=CC=CC=C4
InChI: InChI=1S/C25H31NO3/c1-17(29-16-18-9-6-5-7-10-18)23(28)26-14-13-25(4)22(26)15-19-20(24(25,2)3)11-8-12-21(19)27/h5-12,17,22,27H,13-16H2,1-4H3/t17-,22-,25+/m1/s1
SMILES: CC1=NO[C@@H]2[C@]1(N(C(=O)O2)NC(=O)OC(C)(C)C)CC3=CC=CC=C3
InChI: InChI=1S/C17H21N3O5/c1-11-17(10-12-8-6-5-7-9-12)13(25-19-11)23-15(22)20(17)18-14(21)24-16(2,3)4/h5-9,13H,10H2,1-4H3,(H,18,21)/t13-,17+/m1/s1
SMILES: CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)[C@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C22H27NO4S/c1-16(2)14-23(15-17-9-11-19(12-10-17)27-28(3,25)26)22(24)21-13-20(21)18-7-5-4-6-8-18/h4-12,16,20-21H,13-15H2,1-3H3/t20-,21-/m0/s1
SMILES: C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)N5C=CN=C5)C)O
InChI: InChI=1S/C22H30N2O2/c1-21-7-5-15(25)11-14(21)3-4-16-17(21)6-8-22(2)18(16)12-19(20(22)26)24-10-9-23-13-24/h3,9-10,13,15-19,25H,4-8,11-12H2,1-2H3/t15?,16-,17+,18+,19-,21+,22+/m1/s1
SMILES: C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N3C(=NNC3=S)C4=CC=CS4
InChI: InChI=1S/C15H19N3S2/c1-9(12-8-10-4-5-11(12)7-10)18-14(16-17-15(18)19)13-3-2-6-20-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,19)/t9-,10+,11+,12+/m1/s1
SMILES: CC(=O)OC[C@]1(CO[C@H]([C@@H]1OC(=O)C)O[C@H]2[C@@H](CO[C@@H]([C@@H]2OC(=O)C3=CC=CC=C3)OC(=N)C(Cl)(Cl)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C32H32Cl3NO14/c1-17(37)43-15-31(50-19(3)39)16-44-29(25(31)45-18(2)38)48-23-22(46-26(40)20-10-6-4-7-11-20)14-42-28(49-30(36)32(33,34)35)24(23)47-27(41)21-12-8-5-9-13-21/h4-13,22-25,28-29,36H,14-16H2,1-3H3/t22-,23+,24-,25+,28-,29+,31-/m1/s1
SMILES: C[C@H](/C=C/[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)O)C
InChI: InChI=1S/C37H62O12/c1-18(2)26(49-34-32(44)30(42)25(40)17-47-34)8-6-19(3)21-7-9-27-35(21,4)13-11-28-36(5)12-10-20(14-22(36)23(38)15-37(27,28)45)48-33-31(43)29(41)24(39)16-46-33/h6,8,18-34,38-45H,7,9-17H2,1-5H3/b8-6+/t19-,20+,21-,22-,23+,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-/m1/s1