EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[Si](CC)(CC)O[C@](C)(CCCCCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H]([C@H]([C@@H]([C@@H](C)[C@@H]3[C@@](O3)(C)/C=C/C(=O)OC)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C64H88O9Si2/c1-12-74(13-2,14-3)73-64(9,44-29-15-16-30-46-71-75(62(5,6)7,55-35-25-19-26-36-55)56-37-27-20-28-38-56)61(70-49-52-33-23-18-24-34-52)59(69-47-51-31-21-17-22-32-51)58(68-48-53-39-41-54(66-10)42-40-53)50(4)60-63(8,72-60)45-43-57(65)67-11/h17-28,31-43,45,50,58-61H,12-16,29-30,44,46-49H2,1-11H3/b45-43+/t50-,58-,59+,60-,61-,63-,64-/m1/s1
SMILES: CC1(C[C@]23[C@H](CC[C@H]1[C@@H]2CC(=O)C3=C)C(=O)O)C
InChI: InChI=1S/C15H20O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h9-11H,1,4-7H2,2-3H3,(H,17,18)/t9-,10+,11-,15-/m0/s1
SMILES: C[C@H]1[C@@H]2C[C@H](CC1=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[C@](C2)(C)OC
InChI: InChI=1S/C17H22N4O5/c1-10-11-6-12(17(2,9-11)26-3)7-15(10)19-18-14-5-4-13(20(22)23)8-16(14)21(24)25/h4-5,8,10-12,18H,6-7,9H2,1-3H3/t10-,11+,12+,17+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H25ClN2O4S/c1-14(26)29-19-20(15-8-10-16(28-4)11-9-15)30-21-17(23)6-5-7-18(21)25(22(19)27)13-12-24(2)3/h5-11,19-20H,12-13H2,1-4H3/t19-,20+/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CCCN4[C@]5([C@@H]3C2=O)C6=C(C=CC(=C6)F)NC5=O
InChI: InChI=1S/C23H19FN4O6/c1-34-17-7-5-12(28(32)33)10-16(17)27-20(29)18-15-3-2-8-26(15)23(19(18)21(27)30)13-9-11(24)4-6-14(13)25-22(23)31/h4-7,9-10,15,18-19H,2-3,8H2,1H3,(H,25,31)/t15-,18+,19+,23+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)C4=CN(C5=CC=CC=C54)C(=O)C)CCCO
InChI: InChI=1S/C31H43N3O5/c1-3-38-31-25(11-9-19-35)26(27-21-34(22(2)36)28-12-6-5-10-24(27)28)20-29(39-31)30(37)33-17-13-23(14-18-33)32-15-7-4-8-16-32/h5-6,10,12,20-21,23,25-26,31,35H,3-4,7-9,11,13-19H2,1-2H3/t25-,26-,31+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H](C(=O)N(C1=O)C3=CC=C(C=C3)C)C(=O)OC4=C2C=C(C=C4)Br
InChI: InChI=1S/C20H16BrNO4/c1-10-3-6-13(7-4-10)22-18(23)11(2)16-14-9-12(21)5-8-15(14)26-20(25)17(16)19(22)24/h3-9,11,16-17H,1-2H3/t11-,16-,17+/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O)O)N(C1)CCO
InChI: InChI=1S/C11H21NO4/c13-5-4-12-3-1-2-7-8(12)6-9(14)11(16)10(7)15/h7-11,13-16H,1-6H2/t7-,8+,9-,10+,11+/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN5CCN(CC5)C6=CC=CC=C6O)O)C)O
InChI: InChI=1S/C30H42N2O3/c1-28-12-9-22(33)19-21(28)7-8-23-24(28)10-13-29(2)25(23)11-14-30(29,35)20-31-15-17-32(18-16-31)26-5-3-4-6-27(26)34/h3-8,22,24-25,33-35H,9-20H2,1-2H3/t22-,24-,25-,28-,29-,30+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H13ClN2O4/c1-10-2-8-13(9-3-10)22-18(24)14-15(21-26-17(14)19(22)25)16(23)11-4-6-12(20)7-5-11/h2-9,14,17H,1H3/t14-,17+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](N1C(=O)C(F)(F)F)C[C@H]3C[C@]24C5=C(C[C@@H]6CCCC[C@H]6[C@H]35)C(=O)O4
InChI: InChI=1S/C23H28F3NO3/c1-11-6-7-16-17(27(11)21(29)23(24,25)26)9-13-10-22(16)19-15(20(28)30-22)8-12-4-2-3-5-14(12)18(13)19/h11-14,16-18H,2-10H2,1H3/t11-,12-,13-,14+,16+,17+,18-,22+/m0/s1
SMILES: CC1=C2C(=NN1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C23H32N2O2/c1-13-21-20(25-24-13)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-19H,6-12H2,1-4H3,(H,24,25)/t16-,17+,18-,19-,22-,23-/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@@H]1[C@H]([C@@H]2Br)Br)C(=O)N(C3=O)CCC(=O)O
InChI: InChI=1S/C12H13Br2NO4/c13-9-4-3-5(10(9)14)8-7(4)11(18)15(12(8)19)2-1-6(16)17/h4-5,7-10H,1-3H2,(H,16,17)/t4-,5-,7+,8+,9-,10-/m1/s1
SMILES: CC(C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C22H34O2/c1-14(2)19-9-10-20-16(6-5-11-22(19,20)4)7-8-17-12-18(23)13-21(24)15(17)3/h7-8,14,18-21,23-24H,3,5-6,9-13H2,1-2,4H3/b16-7+,17-8-/t18-,19-,20+,21+,22-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C=C)O
InChI: InChI=1S/C33H34N2O7/c1-5-32(28(36)19-29(42-32)35-20-22(2)30(37)34-31(35)38)21-41-33(23-9-7-6-8-10-23,24-11-15-26(39-3)16-12-24)25-13-17-27(40-4)18-14-25/h5-18,20,28-29,36H,1,19,21H2,2-4H3,(H,34,37,38)/t28-,29+,32+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N=[N+]=[N-])OCC3=CC=CC=C3)SC4=CC=CC=C4)CN=[N+]=[N-]
InChI: InChI=1S/C26H26N6O3S/c27-31-29-16-22-24(33-17-19-10-4-1-5-11-19)23(30-32-28)25(34-18-20-12-6-2-7-13-20)26(35-22)36-21-14-8-3-9-15-21/h1-15,22-26H,16-18H2/t22-,23+,24-,25-,26+/m1/s1
SMILES: C1COCCC1C(=O)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC5(CC4)CCN(C5=O)CC6=CC=C(C=C6)Br
InChI: InChI=1S/C32H40BrN3O3/c33-28-8-6-24(7-9-28)20-35-17-14-32(31(35)38)12-15-34(16-13-32)21-27-22-36(30(37)26-10-18-39-19-11-26)23-29(27)25-4-2-1-3-5-25/h1-9,26-27,29H,10-23H2/t27-,29+/m0/s1
SMILES: CC1=CC=CC=C1O[C@H]2[C@H](N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C26H26N2O6/c1-17-7-4-5-10-21(17)34-25-24(19-8-6-9-20(16-19)28(30)31)27(26(25)29)14-13-18-11-12-22(32-2)23(15-18)33-3/h4-12,15-16,24-25H,13-14H2,1-3H3/t24-,25+/m1/s1
SMILES: CS(=O)(=O)OC1C([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(F)F
InChI: InChI=1S/C20H18F2O8S/c1-31(25,26)30-19-20(21,22)16(29-18(24)14-10-6-3-7-11-14)15(28-19)12-27-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19?/m1/s1
SMILES: C[C@@H]1CO[C@]2(O1)[C@]3([C@](C3(C)C)(C(=N2)N)C#N)C#N
InChI: InChI=1S/C12H14N4O2/c1-7-4-17-12(18-7)11(6-14)9(2,3)10(11,5-13)8(15)16-12/h7H,4H2,1-3H3,(H2,15,16)/t7-,10+,11-,12+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O3/c1-17-12-14-19(15-13-17)22-21-23(30-27(22)20-10-6-3-7-11-20)25(29)26(24(21)28)16-18-8-4-2-5-9-18/h2-15,21-23H,16H2,1H3/t21-,22-,23+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)NC3=CCCC(=O)[C@@H]23
InChI: InChI=1S/C17H18N2O4/c1-23-11-7-5-10(6-8-11)18-17(22)12-9-15(21)19-13-3-2-4-14(20)16(12)13/h3,5-8,12,16H,2,4,9H2,1H3,(H,18,22)(H,19,21)/t12-,16+/m1/s1
SMILES: CN1C2=CC=CC=C2C(=N1)NC(=O)[C@@H]3CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C14H15N3O3/c1-17-11-5-3-2-4-10(11)12(16-17)15-13(18)8-6-7-9(8)14(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,15,16,18)/p-1/t8-,9-/m1/s1
SMILES: CCCCN1[C@H]([C@H](CCC1=O)C(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC
InChI: InChI=1S/C24H27NO6/c1-3-4-13-25-22(26)12-10-18(23(25)17-7-5-6-8-19(17)28-2)24(27)31-16-9-11-20-21(14-16)30-15-29-20/h5-9,11,14,18,23H,3-4,10,12-13,15H2,1-2H3/t18-,23-/m0/s1
SMILES: C[C@@]12CCCC1C3CC[C@H]4C[C@H](CC[C@@]4(C3CC2)C)OCC5=CC=CC=C5
InChI: InChI=1S/C26H38O/c1-25-14-6-9-23(25)22-11-10-20-17-21(27-18-19-7-4-3-5-8-19)12-16-26(20,2)24(22)13-15-25/h3-5,7-8,20-24H,6,9-18H2,1-2H3/t20-,21-,22?,23?,24?,25-,26-/m0/s1
SMILES: C1=CC2=C(C(=C1)Cl)C(=CN2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CC=C(C=C4)I
InChI: InChI=1S/C21H21ClINO5/c22-14-2-1-3-15-17(14)12(8-11-4-6-13(23)7-5-11)9-24(15)21-20(28)19(27)18(26)16(10-25)29-21/h1-7,9,16,18-21,25-28H,8,10H2/t16-,18-,19+,20-,21-/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC=CC=C4F)C#N
InChI: InChI=1S/C16H13FN4O2/c1-9-6-22-16(23-9)15(8-19)12(10-4-2-3-5-11(10)17)14(15,7-18)13(20)21-16/h2-5,9,12H,6H2,1H3,(H2,20,21)/p+1/t9-,12+,14+,15+,16+/m0/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)[O-])S4)OC)SC2)C(=O)[O-]
InChI: InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/p-2/t13?,15-,17+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3
InChI: InChI=1S/C17H20N4OS2/c1-11-6-2-3-7-12(11)18-15(22)10-23-16-19-20-17-21(16)13-8-4-5-9-14(13)24-17/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,22)/t11-,12+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7CCN(CC7)CC8=CC=CC=C8
InChI: InChI=1S/C40H34Cl2F5N3O5/c1-18-14-21(15-19(2)34(18)51)27-23-8-9-24-26(36(53)49(35(24)52)22-10-12-48(13-11-22)17-20-6-4-3-5-7-20)25(23)16-39(41)37(54)50(38(55)40(27,39)42)33-31(46)29(44)28(43)30(45)32(33)47/h3-8,14-15,22,24-27,51H,9-13,16-17H2,1-2H3/t24-,25+,26-,27-,39+,40-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C(=CO1)C=C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H18O7/c1-5-11-6-19-12(7-18-8(2)15)14(21-10(4)17)13(11)20-9(3)16/h5-6,12-14H,1,7H2,2-4H3/t12-,13-,14-/m1/s1
SMILES: C1C[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C1)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H19FO/c20-15-6-3-13(4-7-15)17-8-5-14-12-16(21)9-11-19(14)10-1-2-18(17)19/h3-4,6-7,9,11-12,17-18H,1-2,5,8,10H2/t17-,18-,19-/m0/s1
SMILES: COCCOCO[C@H]1[C@H](NC(=O)N[C@@H]([C@@H]1OCOCCOC)COC2=CC=CC=C2)COC3=CC=CC=C3
InChI: InChI=1S/C27H38N2O9/c1-31-13-15-33-19-37-25-23(17-35-21-9-5-3-6-10-21)28-27(30)29-24(18-36-22-11-7-4-8-12-22)26(25)38-20-34-16-14-32-2/h3-12,23-26H,13-20H2,1-2H3,(H2,28,29,30)/t23-,24-,25+,26+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]4([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)O)OC(=O)C
InChI: InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,25(36)23(42-17(5)34)22(13)27(30,7)8)20(40-15(3)32)10-21(41-16(4)33)29(24)12-38-29/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C20H18N2O5/c1-27-17-10-13(22(25)26)9-16-14-3-2-4-15(14)18(21-19(16)17)11-5-7-12(8-6-11)20(23)24/h2-3,5-10,14-15,18,21H,4H2,1H3,(H,23,24)/t14-,15-,18+/m0/s1
SMILES: CC1(C[C@@]2(CCO1)[C@H](CC(=O)O2)C(=O)NC3=CC=CC4=CC=CC=C43)C
InChI: InChI=1S/C21H23NO4/c1-20(2)13-21(10-11-25-20)16(12-18(23)26-21)19(24)22-17-9-5-7-14-6-3-4-8-15(14)17/h3-9,16H,10-13H2,1-2H3,(H,22,24)/t16-,21+/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@](C=C1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(C)CCCO[Si](C)(C)C(C)(C)C)C(=O)N4[C@@H]5C[C@H]6CC[C@@]5(C6(C)C)CS4(=O)=O
InChI: InChI=1S/C45H69NO5SSi2/c1-33-28-38(40(47)46-39-29-35-24-26-45(39,43(35,8)9)32-52(46,48)49)44(10,25-19-27-50-53(11,12)41(2,3)4)30-34(33)31-51-54(42(5,6)7,36-20-15-13-16-21-36)37-22-17-14-18-23-37/h13-18,20-23,30,33,35,38-39H,19,24-29,31-32H2,1-12H3/t33-,35+,38+,39+,44-,45+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[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)C8=CC=C(C=C8)I)Cl)O
InChI: InChI=1S/C39H29Cl2IN2O6/c1-50-31-17-20(16-30(41)34(31)45)33-26-14-15-27-32(37(48)43(35(27)46)24-12-10-23(42)11-13-24)28(26)19-29-36(47)44(25-9-5-8-22(40)18-25)38(49)39(29,33)21-6-3-2-4-7-21/h2-14,16-18,27-29,32-33,45H,15,19H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: CC1=CC(=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CN=CC=C4)Cl
InChI: InChI=1S/C18H17ClN2/c1-11-8-13(19)9-16-14-5-2-6-15(14)18(21-17(11)16)12-4-3-7-20-10-12/h2-5,7-10,14-15,18,21H,6H2,1H3/t14-,15+,18+/m0/s1
SMILES: C[C@]12CC[C@H](CC1=CC[C@H]3[C@H]2CC[C@]4([C@H]3CC[C@]45CS5)C)O
InChI: InChI=1S/C20H30OS/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h3,14-17,21H,4-12H2,1-2H3/t14-,15+,16-,17+,18+,19+,20+/m1/s1
SMILES: CN(C[C@H]1C[C@]1(CO)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C22H31NO/c1-23(21-10-16-7-17(11-21)9-18(8-16)12-21)14-20-13-22(20,15-24)19-5-3-2-4-6-19/h2-6,16-18,20,24H,7-15H2,1H3/t16?,17?,18?,20-,21?,22+/m1/s1
SMILES: C[C@H](CCCN1CCCCC1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C29H51NO/c1-21(8-7-19-30-17-5-4-6-18-30)25-11-12-26-24-10-9-22-20-23(31)13-15-28(22,2)27(24)14-16-29(25,26)3/h21-27,31H,4-20H2,1-3H3/t21-,22-,23-,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: CCOC(=O)C1=NN[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C15H15N3O5/c1-3-23-15(21)12-10-11(16-17-12)14(20)18(13(10)19)8-4-6-9(22-2)7-5-8/h4-7,10-11,16H,3H2,1-2H3/t10-,11-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)[O-]
InChI: InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1
SMILES: CC1=CC[C@@H]2[C@H](C1)C(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C19H23NO4/c1-12-4-6-14-15(10-12)19(22)20(18(14)21)9-8-13-5-7-16(23-2)17(11-13)24-3/h4-5,7,11,14-15H,6,8-10H2,1-3H3/t14-,15+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)OC([C@@]2(CCO)OCC3=CC=CC=C3)(COCC4=CC=CC=C4)COCC5=CC=CC=C5)C
InChI: InChI=1S/C32H38O7/c1-30(2)37-28-29(38-30)39-31(23-34-20-25-12-6-3-7-13-25,24-35-21-26-14-8-4-9-15-26)32(28,18-19-33)36-22-27-16-10-5-11-17-27/h3-17,28-29,33H,18-24H2,1-2H3/t28-,29-,32-/m0/s1
SMILES: CC(C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=C(C4=C(N=CN=C43)NO)C#C)(C)F)O)OC5=CC=CC=C5
InChI: InChI=1S/C30H31FN5O8P/c1-4-21-15-36(27-24(21)26(34-39)32-18-33-27)29-30(3,31)25(37)23(43-29)17-42-45(40,44-22-13-9-6-10-14-22)35-19(2)28(38)41-16-20-11-7-5-8-12-20/h1,5-15,18-19,23,25,29,37,39H,16-17H2,2-3H3,(H,35,40)(H,32,33,34)/t19?,23-,25-,29-,30-,45?/m1/s1
SMILES: C1C=C2[C@@H]([C@H]3[C@@H]1C(=O)N(C3=O)C4=CC(=CC=C4)OC5=CC=CC=C5)[C@@H]([C@H]6[C@@H](C2=O)O6)O
InChI: InChI=1S/C24H19NO6/c26-19-15-9-10-16-18(17(15)20(27)22-21(19)31-22)24(29)25(23(16)28)12-5-4-8-14(11-12)30-13-6-2-1-3-7-13/h1-9,11,16-18,20-22,27H,10H2/t16-,17+,18-,20+,21-,22+/m1/s1
SMILES: CN(C)C=NC1=NC=NC2=C(NN=C21)[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)O
InChI: InChI=1S/C34H36N6O5/c1-40(2)21-37-33-32-31(35-20-36-33)30(38-39-32)28-18-27(41)29(45-28)19-44-34(22-8-6-5-7-9-22,23-10-14-25(42-3)15-11-23)24-12-16-26(43-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H,38,39)/t27-,28+,29+/m0/s1
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)OC
InChI: InChI=1S/C20H21N3O5/c1-26-15-8-7-12(11-16(15)27-2)18-21-17(28-22-18)9-10-23-19(24)13-5-3-4-6-14(13)20(23)25/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3/t13-,14+
SMILES: C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@]4(C(C4C(=O)[C@@]3(C)OC(=O)C)C=C[C@@H](C(=C)[C@@H]2Cl)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C26H31ClO10/c1-10-16(34-12(3)28)9-8-15-17-20(31)25(7,37-14(5)30)19(24(15,17)6)22(35-13(4)29)26(33)11(2)23(32)36-21(26)18(10)27/h8-9,11,15-19,21-22,33H,1H2,2-7H3/t11-,15?,16-,17?,18-,19+,21-,22-,24-,25-,26-/m0/s1
SMILES: CC(=O)N1CC2(CCN(CC2)C[C@@H]3C[C@]3(C4=CC=C(C=C4)Cl)C(=O)N(C)CC5=CC=CC=C5)C6=CC=CC=C61
InChI: InChI=1S/C33H36ClN3O2/c1-24(38)37-23-32(29-10-6-7-11-30(29)37)16-18-36(19-17-32)22-27-20-33(27,26-12-14-28(34)15-13-26)31(39)35(2)21-25-8-4-3-5-9-25/h3-15,27H,16-23H2,1-2H3/t27-,33+/m0/s1
SMILES: CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C25H37NO4.C13H24N4O3S.C4H4O4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19;1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30);10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b8-3-,17-16+;;2-1-/t20-,21+,22+,23-,24+;10-;/m00./s1
SMILES: C[C@]1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(CC3=NN(N=N3)C)C4=CC=C(C=C4)Cl)O)C(OC)OC
InChI: InChI=1S/C22H25ClN6O6/c1-22(21(33-3)34-4)20(30)19(16-11-15(29(31)32)9-10-17(16)35-22)28(12-18-24-26-27(2)25-18)14-7-5-13(23)6-8-14/h5-11,19-21,30H,12H2,1-4H3/t19-,20+,22-/m0/s1
SMILES: CCCCN1[C@@H]([C@H](CCC1=O)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C25H32N2O4/c1-4-5-16-27-23(28)15-14-22(24(27)19-8-12-21(31-3)13-9-19)25(29)26-17-18-6-10-20(30-2)11-7-18/h6-13,22,24H,4-5,14-17H2,1-3H3,(H,26,29)/t22-,24+/m0/s1
SMILES: CC[C@H]1C2=C(CC[NH+]1CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)SC=C2
InChI: InChI=1S/C18H24N2O2S/c1-2-15-14-8-10-23-16(14)7-9-19(15)11-20-17(21)12-5-3-4-6-13(12)18(20)22/h8,10,12-13,15H,2-7,9,11H2,1H3/p+1/t12-,13+,15-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=CC(=C(C=C6)CO)CO)C)C)O)O)O
InChI: InChI=1S/C33H48O8/c1-18-27(36)28(37)29(38)30(40-18)41-23-8-11-31(2)22(15-23)6-7-26-25(31)9-12-32(3)24(10-13-33(26,32)39)19-4-5-20(16-34)21(14-19)17-35/h4-5,14-15,18,23-30,34-39H,6-13,16-17H2,1-3H3/t18-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32+,33-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)N[C@H]3C6=CC=CC=C6
InChI: InChI=1S/C27H25FN2O/c28-20-9-11-21(12-10-20)29-27(31)19-8-13-23-22(15-19)24-17-6-7-18(14-17)25(24)26(30-23)16-4-2-1-3-5-16/h1-5,8-13,15,17-18,24-26,30H,6-7,14H2,(H,29,31)/t17-,18+,24+,25+,26-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2C=C(NC(=O)[C@H]2C#N)C3=CC=CC=C3
InChI: InChI=1S/C18H14N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(20-18(16)21)14-9-5-2-6-10-14/h1-11,15-16H,(H,20,21)/t15-,16+/m1/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])Br)Br)O
InChI: InChI=1S/C28H20Br3Cl2N3O8/c1-44-17-8-15(20(30)21(31)22(17)37)19-13-6-7-14-18(16(13)9-27(32)25(40)34(10-29)26(41)28(19,27)33)24(39)35(23(14)38)11-2-4-12(5-3-11)36(42)43/h2-6,8,14,16,18-19,37H,7,9-10H2,1H3/t14-,16+,18-,19+,27+,28-/m0/s1
SMILES: C[C@H]1CCC/C(=C\CC(OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CCC#C)(C)C)O)/C(=C\C2=CC=CC=N2)/F)/C
InChI: InChI=1S/C30H40FNO5/c1-6-7-14-23-28(35)21(3)12-10-11-20(2)15-16-25(24(31)18-22-13-8-9-17-32-22)37-27(34)19-26(33)30(4,5)29(23)36/h1,8-9,13,15,17-18,21,23,25-26,28,33,35H,7,10-12,14,16,19H2,2-5H3/b20-15-,24-18+/t21-,23+,25?,26-,28-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@](C(=O)N2C3=CC=C(C=C3)OC)(CC=C)F)C
InChI: InChI=1S/C18H22FNO4/c1-5-10-18(19)15(14-11-23-17(2,3)24-14)20(16(18)21)12-6-8-13(22-4)9-7-12/h5-9,14-15H,1,10-11H2,2-4H3/t14-,15+,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C(=C(N=C3N)NC(=O)C(F)(F)F)F)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H55F4N5O5Si3/c1-28(2,3)46(10,11)42-16-18-22(44-47(12,13)29(4,5)6)23(45-48(14,15)30(7,8)9)26(43-18)40-17-37-20-21(40)19(32)25(38-24(20)36)39-27(41)31(33,34)35/h17-18,22-23,26H,16H2,1-15H3,(H3,36,38,39,41)/t18-,22-,23-,26-/m1/s1
SMILES: C/C(=N/O)/C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3/b24-14-/t17-,18-,20-,21-,22-,23+/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)NC4=C(C=C(C=C4)C)C)C=C3)C
InChI: InChI=1S/C25H28N2O2/c1-14-5-9-20(16(3)11-14)26-24(28)22-18-7-8-19(13-18)23(22)25(29)27-21-10-6-15(2)12-17(21)4/h5-12,18-19,22-23H,13H2,1-4H3,(H,26,28)(H,27,29)/t18-,19+,22+,23-
SMILES: CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)O[C@H]3C[C@@H](CC[C@@H]3C(C)C)C
InChI: InChI=1S/C21H30N2O3S/c1-5-25-15-7-9-17-18(11-15)23-21(22-17)27-12-20(24)26-19-10-14(4)6-8-16(19)13(2)3/h7,9,11,13-14,16,19H,5-6,8,10,12H2,1-4H3,(H,22,23)/t14-,16-,19+/m1/s1
SMILES: C1=CC2=C(C=CC3=C2C=CC4=C3C5=C(C=C4)[C@H]([C@@H](C=C5)O)O)[C@H]([C@@H]1O)O
InChI: InChI=1S/C22H18O4/c23-18-9-7-13-12-3-1-11-2-4-17-15(8-10-19(24)22(17)26)20(11)14(12)5-6-16(13)21(18)25/h1-10,18-19,21-26H/t18-,19-,21-,22-/m1/s1
SMILES: CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C5=CC=CC=C5C3)C.C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O[P-]34(O2)(OC5=C(O3)C(=C(C(=C5Cl)Cl)Cl)Cl)OC6=C(O4)C(=C(C(=C6Cl)Cl)Cl)Cl
InChI: InChI=1S/C26H26NO2.C18Cl12O6P/c1-26(2)28-18-24(25(29-26)19-10-4-3-5-11-19)27-16-20-12-6-8-14-22(20)23-15-9-7-13-21(23)17-27;19-1-2(20)8(26)14-13(7(1)25)31-37(32-14,33-15-9(27)3(21)4(22)10(28)16(15)34-37)35-17-11(29)5(23)6(24)12(30)18(17)36-37/h3-16,24-25H,17-18H2,1-2H3;/q+1;-1/t24-,25-;/m0./s1
SMILES: COC1=C(C=C2[C@@H]3C[C@H]4[C@H](CCCN4S(=O)(=O)C)CN3CCC2=C1)OC
InChI: InChI=1S/C19H28N2O4S/c1-24-18-9-13-6-8-20-12-14-5-4-7-21(26(3,22)23)16(14)11-17(20)15(13)10-19(18)25-2/h9-10,14,16-17H,4-8,11-12H2,1-3H3/t14-,16+,17+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C3=C2N=C(N=C3OC)N)I)O
InChI: InChI=1S/C18H29IN4O4Si/c1-18(2,3)28(5,6)26-9-12-11(24)7-13(27-12)23-8-10(19)14-15(23)21-17(20)22-16(14)25-4/h8,11-13,24H,7,9H2,1-6H3,(H2,20,21,22)/t11-,12+,13+/m0/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H]([NH2+]3)C(C)C)C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C21H27N3O3/c1-10(2)16-14-15(18(26)24(17(14)25)20(4,5)6)21(23-16)12-9-11(3)7-8-13(12)22-19(21)27/h7-10,14-16,23H,1-6H3,(H,22,27)/p+1/t14-,15-,16+,21-/m0/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC4CCCCO4)C
InChI: InChI=1S/C17H28O7/c1-16(2)19-9-10(22-16)12-13(20-11-7-5-6-8-18-11)14-15(21-12)24-17(3,4)23-14/h10-15H,5-9H2,1-4H3/t10-,11?,12+,13+,14+,15+/m0/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](C)OC(=O)NC3=CC=C(C=C3)CC(=O)OC)OC(O2)(C)C
InChI: InChI=1S/C31H49NO8/c1-6-7-8-9-10-11-12-13-14-15-20-36-27-26(38-29-28(27)39-31(3,4)40-29)22(2)37-30(34)32-24-18-16-23(17-19-24)21-25(33)35-5/h16-19,22,26-29H,6-15,20-21H2,1-5H3,(H,32,34)/t22-,26-,27+,28-,29-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@]2(C[C@@H]3CC(=C[C@@H]3C2)OS(=O)(=O)C(F)(F)F)C#N)OCC4=CC=CC=C4
InChI: InChI=1S/C24H22F3NO5S/c1-31-21-8-7-19(11-22(21)32-14-16-5-3-2-4-6-16)23(15-28)12-17-9-20(10-18(17)13-23)33-34(29,30)24(25,26)27/h2-9,11,17-18H,10,12-14H2,1H3/t17-,18+,23-/m1/s1
SMILES: COC(C1=CC=CC=C1)(C(=O)N2[C@H]([C@H](OC(=O)[C@H]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(F)(F)F
InChI: InChI=1S/C32H26F3NO4/c1-39-31(32(33,34)35,25-20-12-5-13-21-25)30(38)36-26(22-14-6-2-7-15-22)28(24-18-10-4-11-19-24)40-29(37)27(36)23-16-8-3-9-17-23/h2-21,26-28H,1H3/t26-,27+,28+,31?/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O.OS(=O)(=O)O.[Na+].[Na+].[Cl-].[Cl-]
InChI: InChI=1S/C6H13NO5.2ClH.2Na.H2O4S/c7-3-5(10)4(9)2(1-8)12-6(3)11;;;;;1-5(2,3)4/h2-6,8-11H,1,7H2;2*1H;;;(H2,1,2,3,4)/q;;;2*+1;/p-2/t2-,3-,4-,5-,6-;;;;;/m1...../s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=C(C=C7)C(=O)O)O
InChI: InChI=1S/C33H19Cl2F5N2O8/c34-32-10-17-14(7-8-16-19(17)28(46)41(27(16)45)12-3-6-15(29(47)48)18(44)9-12)20(11-1-4-13(43)5-2-11)33(32,35)31(50)42(30(32)49)26-24(39)22(37)21(36)23(38)25(26)40/h1-7,9,16-17,19-20,43-44H,8,10H2,(H,47,48)/t16-,17+,19-,20-,32+,33-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)C4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)C(=O)O)Br)C)C)C2[C@H]1C)C)C
InChI: InChI=1S/C30H45BrO3/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(32)24-27(4)12-10-22(31)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21?,22+,23?,24?,26-,27+,28-,29-,30-/m1/s1
SMILES: CC(C)[C@@H]1COC(=N1)C(C)(C)OP2OC([C@H]3[C@H](C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)OC(O3)(C)C)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H44NO6P/c1-28(2)33-27-42-36(41-33)37(3,4)45-48-46-39(29-19-11-7-12-20-29,30-21-13-8-14-22-30)34-35(44-38(5,6)43-34)40(47-48,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,28,33-35H,27H2,1-6H3/t33-,34+,35+/m0/s1
SMILES: C=C[C@@H]1CC[C@@H]2[C@]13C[C@@H]([C@@H]4[C@H]2CCC5=C4C=CN=C5)C(=O)O3
InChI: InChI=1S/C19H21NO2/c1-2-12-4-6-16-14-5-3-11-10-20-8-7-13(11)17(14)15-9-19(12,16)22-18(15)21/h2,7-8,10,12,14-17H,1,3-6,9H2/t12-,14+,15+,16+,17+,19+/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)NN=CC2=CC(=CC=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C17H15ClN2O/c18-14-8-4-5-12(9-14)11-19-20-17(21)16-10-15(16)13-6-2-1-3-7-13/h1-9,11,15-16H,10H2,(H,20,21)/t15-,16-/m0/s1
SMILES: C1COCC[NH+]1[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C22H22N2O3S/c25-28(26,17-8-2-1-3-9-17)23-21-18-10-4-6-16-7-5-11-19(20(16)18)22(21)24-12-14-27-15-13-24/h1-11,21-23H,12-15H2/p+1/t21-,22+/m0/s1
SMILES: C[C@@H]1C[C@@]23C=C[C@@H](O2)C[C@H]3S(=O)(=O)N1CC4=CC=CC=C4
InChI: InChI=1S/C16H19NO3S/c1-12-10-16-8-7-14(20-16)9-15(16)21(18,19)17(12)11-13-5-3-2-4-6-13/h2-8,12,14-15H,9-11H2,1H3/t12-,14-,15-,16-/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H20ClN3O5/c1-11-8-13(11)17(23)26-10-16(22)20-6-4-19(5-7-20)14-3-2-12(18)9-15(14)21(24)25/h2-3,9,11,13H,4-8,10H2,1H3/t11-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)OC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl
InChI: InChI=1S/C22H28ClN3O3/c1-14-9-7-8-12-18(14)24-21(27)16(3)29-22(28)19-15(2)25-26(20(19)23)13-17-10-5-4-6-11-17/h4-6,10-11,14,16,18H,7-9,12-13H2,1-3H3,(H,24,27)/t14-,16-,18+/m0/s1
SMILES: C1C[C@H](OC1)CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C14H21NO4/c16-13(15-7-10-2-1-5-19-10)11-8-3-4-9(6-8)12(11)14(17)18/h8-12H,1-7H2,(H,15,16)(H,17,18)/t8-,9+,10+,11+,12+/m1/s1