EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C(C=CC(=C23)Br)O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H15BrClNO/c19-14-8-9-15(22)18-16(14)12-2-1-3-13(12)17(21-18)10-4-6-11(20)7-5-10/h1-2,4-9,12-13,17,21-22H,3H2/t12-,13+,17-/m0/s1
SMILES: C[C@H](C[C@H](C(=O)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C24H36O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-14,16-18,20-21,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,20-,21+,23+,24-/m1/s1
SMILES: CC(C)CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)OC
InChI: InChI=1S/C17H22N2O4S2/c1-11(2)8-16(20)18-17-19(12-4-6-13(23-3)7-5-12)14-9-25(21,22)10-15(14)24-17/h4-7,11,14-15H,8-10H2,1-3H3/t14-,15-/m0/s1
SMILES: C[C@H]1CCC(=O)[C@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OC(=O)C3=CC=CC=N3)Cl)C)C=O)O)/C)C
InChI: InChI=1S/C29H32ClNO5/c1-17(13-14-29(5)18(2)10-12-24(33)20(29)4)9-11-21-26(34)22(16-32)19(3)25(30)27(21)36-28(35)23-8-6-7-15-31-23/h6-9,13-16,18,20,34H,10-12H2,1-5H3/b14-13+,17-9+/t18-,20+,29-/m0/s1
SMILES: CCCCN1CC[C@]23[C@@H]4C5=C(C[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O)C7=C(N5)[C@H]8[C@@]91CCN([C@@H]([C@@]9(C7)O)CC2=C1C(=C(C=C2)O)O8)CC1CC1
InChI: InChI=1S/C40H45N3O6/c1-2-3-12-42-13-10-37-29-21-6-8-25(44)33(29)48-35(37)31-23(17-39(37,46)27(42)15-21)24-18-40(47)28-16-22-7-9-26(45)34-30(22)38(40,36(49-34)32(24)41-31)11-14-43(28)19-20-4-5-20/h6-9,20,27-28,35-36,41,44-47H,2-5,10-19H2,1H3/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@@]3(COC4=CC=CC=C4C3=O)[C@@]5(N2C1)C6=CC=CC=C6NC5=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C28H23ClN2O3/c29-18-13-11-17(12-14-18)24-22-9-5-15-31(22)28(20-7-2-3-8-21(20)30-26(28)33)27(24)16-34-23-10-4-1-6-19(23)25(27)32/h1-4,6-8,10-14,22,24H,5,9,15-16H2,(H,30,33)/t22-,24-,27-,28-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)COC2=CC=C(C=C2)F
InChI: InChI=1S/C18H24FNO4/c1-12-5-3-4-6-16(12)20-18(22)13(2)24-17(21)11-23-15-9-7-14(19)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,20,22)/t12-,13+,16-/m0/s1
SMILES: CCCNC(=O)CN1CC[C@]2(CCCC[C@H]2[C@@H]1C3=CC(=C(C=C3)O)OCC)O
InChI: InChI=1S/C22H34N2O4/c1-3-12-23-20(26)15-24-13-11-22(27)10-6-5-7-17(22)21(24)16-8-9-18(25)19(14-16)28-4-2/h8-9,14,17,21,25,27H,3-7,10-13,15H2,1-2H3,(H,23,26)/t17-,21-,22-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC=CC=C5O)C)C
InChI: InChI=1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29-,30-,31+,32-,35+,36-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OC[C@H](CN3CCN(CC3)C4=CC=CC=N4)O)C
InChI: InChI=1S/C21H33N3O7/c1-21(2)30-19-18(17(15(27)12-25)29-20(19)31-21)28-13-14(26)11-23-7-9-24(10-8-23)16-5-3-4-6-22-16/h3-6,14-15,17-20,25-27H,7-13H2,1-2H3/t14-,15+,17+,18+,19+,20+/m0/s1
SMILES: CC(=CCC1=C(C=CC2=C1OC[C@@]3([C@H]2OC4=C3C=CC(=C4CC=C(C)C)OC)O)O)C
InChI: InChI=1S/C26H30O5/c1-15(2)6-8-17-21(27)12-10-19-23(17)30-14-26(28)20-11-13-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
SMILES: C1C[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)O)O)OC4=CC=C(C=C4)O
InChI: InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
SMILES: CC1=C(C(=CN1C2CCOC2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CC=C(C=C4)OC(F)F
InChI: InChI=1S/C23H29F2NO8/c1-12-16(8-13-2-4-15(5-3-13)32-23(24)25)17(9-26(12)14-6-7-31-11-14)33-22-21(30)20(29)19(28)18(10-27)34-22/h2-5,9,14,18-23,27-30H,6-8,10-11H2,1H3/t14?,18-,19-,20+,21-,22-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)OC(COCCOC5=C(C=C(C=C5I)I)I)COCCOC6=C(C=C(C=C6I)I)I)C)C
InChI: InChI=1S/C50H68I6O8/c1-30(2)7-6-8-31(3)38-11-12-39-37-10-9-32-23-35(15-17-49(32,4)40(37)16-18-50(38,39)5)63-45(57)13-14-46(58)64-36(28-59-19-21-61-47-41(53)24-33(51)25-42(47)54)29-60-20-22-62-48-43(55)26-34(52)27-44(48)56/h24-27,30-32,35-40H,6-23,28-29H2,1-5H3/t31-,32?,35+,37?,38-,39?,40?,49+,50-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](COC3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CCCC5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C24H31F3O4/c1-15-6-11-20-17(5-3-4-16-7-9-18(10-8-16)24(25,26)27)14-28-21-23(20)19(15)12-13-22(2,29-21)30-31-23/h7-10,15,17,19-21H,3-6,11-14H2,1-2H3/t15-,17+,19+,20+,21?,22-,23-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]4C3=O)[C@@H]([C@@H]5Br)Br
InChI: InChI=1S/C23H20Br2N2O3/c1-11-5-2-3-8-16(11)26-21(28)12-6-4-7-13(9-12)27-22(29)17-14-10-15(18(17)23(27)30)20(25)19(14)24/h2-9,14-15,17-20H,10H2,1H3,(H,26,28)/t14-,15+,17-,18-,19-,20+/m0/s1
SMILES: CC(=C)C1(CN([C@@H]([C@H]1CC(=O)OC(C)(C)C)C(=O)OC)C(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C22H29NO6/c1-14(2)22(27)13-23(19(25)15-10-8-7-9-11-15)18(20(26)28-6)16(22)12-17(24)29-21(3,4)5/h7-11,16,18,27H,1,12-13H2,2-6H3/t16-,18+,22?/m1/s1
SMILES: CCCCN[C@H]1[C@@H]([C@H](N([C@@H]1C2=CC=C(C=C2)OC)CCCC)C3=CC=C(C=C3)OC)[N+](=O)[O-]
InChI: InChI=1S/C26H37N3O4/c1-5-7-17-27-23-24(19-9-13-21(32-3)14-10-19)28(18-8-6-2)25(26(23)29(30)31)20-11-15-22(33-4)16-12-20/h9-16,23-27H,5-8,17-18H2,1-4H3/t23-,24-,25-,26+/m1/s1
SMILES: C[Si](C)(C)OC1=C[C@H]2[C@@H]3[C@H]([C@@H]1CC24OCCO4)C(=O)C=CC3=O
InChI: InChI=1S/C17H22O5Si/c1-23(2,3)22-14-8-11-16-13(19)5-4-12(18)15(16)10(14)9-17(11)20-6-7-21-17/h4-5,8,10-11,15-16H,6-7,9H2,1-3H3/t10-,11+,15-,16+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CCC(=O)OCC(=O)NNC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H23N3O6/c25-15(22-23-19(27)12-4-2-1-3-5-12)11-30-16(26)8-9-24-20(28)17-13-6-7-14(10-13)18(17)21(24)29/h1-5,13-14,17-18H,6-11H2,(H,22,25)(H,23,27)/t13-,14+,17-,18+
SMILES: C1C[C@@H]2C[C@@H]3[C@@H](C1)CN2C(C3=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H25NO/c25-23-20-14-19-13-7-12-18(20)15-24(19)22(23)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-22H,7,12-15H2/t18-,19+,20+,22?/m0/s1
SMILES: C[C@]12C[C@H]([C@@H]([C@H](O1)C3=CC=CC=C3N2)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C18H18N2O3/c1-18-11-14(12-7-3-2-4-8-12)16(20(21)22)17(23-18)13-9-5-6-10-15(13)19-18/h2-10,14,16-17,19H,11H2,1H3/t14-,16-,17+,18+/m0/s1
SMILES: CCC[NH+](C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)Cl)O.[Cl-]
InChI: InChI=1S/C19H22ClNO.ClH/c1-3-9-21(2)17-10-14-11-18(22)16(20)12-15(14)19(17)13-7-5-4-6-8-13;/h4-8,11-12,17,19,22H,3,9-10H2,1-2H3;1H/t17-,19-;/m1./s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C21H32N2O4/c1-13-4-2-3-5-17(13)22-20(26)23-18(24)12-27-19(25)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-17H,2-12H2,1H3,(H2,22,23,24,26)/t13-,14?,15?,16?,17-,21?/m0/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCN4CNCC4=O)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=C(C=C7)F
InChI: InChI=1S/C35H38FN5O5/c1-46-34(45)35(19-23-9-11-26(36)12-10-23)31-25(21-41(35)32(43)24-7-3-2-4-8-24)17-28-27(31)18-29(33(44)38-13-5-6-14-38)40(28)16-15-39-22-37-20-30(39)42/h2-4,7-12,18,25,31,37H,5-6,13-17,19-22H2,1H3/t25-,31+,35+/m0/s1
SMILES: CCCC[C@H]1[C@@H](C(=O)[C@H]2[C@@H]1[C@@H](C[C@@H]2COC(=O)C)CO)CCCC
InChI: InChI=1S/C20H34O4/c1-4-6-8-16-17(9-7-5-2)20(23)19-15(12-24-13(3)22)10-14(11-21)18(16)19/h14-19,21H,4-12H2,1-3H3/t14-,15+,16-,17-,18+,19+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](C2=CC=CC=C2)O[N+](=O)[O-])CO)C
InChI: InChI=1S/C13H17NO6/c1-13(2)18-10(8-15)12(19-13)11(20-14(16)17)9-6-4-3-5-7-9/h3-7,10-12,15H,8H2,1-2H3/t10-,11-,12+/m1/s1
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCC(C(=O)OC)[Se]C2=CC=CC=C2)O)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C39H62O7Se/c1-5-6-25-39(2,3)35(46-37-22-14-16-27-44-37)24-23-31-30(32(40)28-33(31)45-36-21-13-15-26-43-36)19-11-8-12-20-34(38(41)42-4)47-29-17-9-7-10-18-29/h7,9-10,17-18,23-24,30-37,40H,5-6,8,11-16,19-22,25-28H2,1-4H3/b24-23+/t30-,31-,32+,33-,34?,35-,36?,37?/m1/s1
SMILES: CC(C)[C@@H](C(=O)O)N1[C@@H]([C@@H](C1=O)OC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H21NO4/c1-13(2)16(20(23)24)21-17(14-9-5-3-6-10-14)18(19(21)22)25-15-11-7-4-8-12-15/h3-13,16-18H,1-2H3,(H,23,24)/t16-,17+,18-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)CCC(=O)O)O
InChI: InChI=1S/C44H56N4O16S/c1-19(2)14-26(47-30(51)18-45-42(59)24(12-13-65-6)46-29(50)10-11-31(52)53)43(60)48-25-15-32(63-20(3)37(25)54)64-28-17-44(61,21(4)49)16-23-34(28)41(58)36-35(39(23)56)38(55)22-8-7-9-27(62-5)33(22)40(36)57/h7-9,19-20,24-26,28,32,37,54,56,58,61H,10-18H2,1-6H3,(H,45,59)(H,46,50)(H,47,51)(H,48,60)(H,52,53)/t20-,24-,25-,26-,28-,32-,37+,44-/m0/s1
SMILES: C[C@]1(C[C@H]([C@H]([C@H]1O)O)O)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C11H15N5O3/c1-11(2-5(17)7(18)8(11)19)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=C(C=C2)N)C(C)C
InChI: InChI=1S/C19H27NO4/c1-12(2)16-9-4-13(3)10-17(16)24-18(21)11-23-19(22)14-5-7-15(20)8-6-14/h5-8,12-13,16-17H,4,9-11,20H2,1-3H3/t13-,16+,17-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C32H25ClFN3O6/c1-32-21(28(40)36(30(32)42)15-7-11-23(34)22(33)12-15)13-20-17(9-10-18-24(20)29(41)37(27(18)39)31(35)43)25(32)19-8-6-14-4-2-3-5-16(14)26(19)38/h2-9,11-12,18,20-21,24-25,38H,10,13H2,1H3,(H2,35,43)/t18-,20+,21-,24-,25+,32+/m0/s1
SMILES: C/C(=N\O)/[C@H]1CC=C2[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/h5,8,17-19,21,26H,6-7,9-13H2,1-4H3/b24-14+/t17-,18-,19+,21-,22-,23+/m0/s1
SMILES: C[C@H]1CC(O[C@@H]2[C@H]1O[C@@H](C2)[C@@H]3C[C@@H](OC(O3)(C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)(C[C@H](C)[C@@H]([C@@H]6CCOC(O6)(C)C)OCC7=CC=C(C=C7)OC)O
InChI: InChI=1S/C49H70O10Si/c1-33(44(40-25-26-53-47(6,7)57-40)52-31-35-21-23-36(51-10)24-22-35)29-49(50)30-34(2)45-43(59-49)28-41(55-45)42-27-37(56-48(8,9)58-42)32-54-60(46(3,4)5,38-17-13-11-14-18-38)39-19-15-12-16-20-39/h11-24,33-34,37,40-45,50H,25-32H2,1-10H3/t33-,34-,37+,40-,41-,42-,43-,44-,45-,49?/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C18H26N2O3/c1-13-8-6-7-11-15(13)19-18(22)20-16(17(21)23-2)12-14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,6-8,11-12H2,1-2H3,(H2,19,20,22)/t13-,15+,16-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C19H27NO3/c1-12-8-9-16(10-14(12)3)19(22)23-11-18(21)20-17-7-5-6-13(2)15(17)4/h8-10,13,15,17H,5-7,11H2,1-4H3,(H,20,21)/t13-,15-,17-/m0/s1
SMILES: CN(C[C@]1(C[C@H]1CN2CCC(CC2)CCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=C(S5)C6=NOC=C6
InChI: InChI=1S/C33H38ClN3O3S2/c1-36(42(38,39)32-14-13-31(41-32)30-17-20-40-35-30)24-33(27-11-6-12-29(34)21-27)22-28(33)23-37-18-15-26(16-19-37)10-5-9-25-7-3-2-4-8-25/h2-4,6-8,11-14,17,20-21,26,28H,5,9-10,15-16,18-19,22-24H2,1H3/t28-,33+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)CN5CCC6(CC5)OCCO6
InChI: InChI=1S/C33H38N2O6/c1-23-29(21-35-17-15-33(16-18-35)38-19-20-39-33)40-32(41-30(23)25-9-7-24(22-36)8-10-25)27-11-13-28(14-12-27)34-31(37)26-5-3-2-4-6-26/h2-14,23,29-30,32,36H,15-22H2,1H3,(H,34,37)/t23-,29+,30+,32+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@]3(C[C@H]4[C@H]([C@]3(O2)CCO4)O)O
InChI: InChI=1S/C14H18N2O6/c1-7-6-16(12(19)15-11(7)18)9-5-13(20)4-8-10(17)14(13,22-9)2-3-21-8/h6,8-10,17,20H,2-5H2,1H3,(H,15,18,19)/t8-,9-,10+,13-,14+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)[18F])O
InChI: InChI=1S/C10H12FN5O2/c1-4-7(17)5(11)10(18-4)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H3,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1/i11-1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@H]([C@H]([C@H]2COCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H31NO9S/c1-17-10-12-22(13-11-17)37(31,32)27-14-24(34-18(2)28)26(36-20(4)30)25(35-19(3)29)23(27)16-33-15-21-8-6-5-7-9-21/h5-13,23-26H,14-16H2,1-4H3/t23-,24-,25+,26-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@]2(COC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)C(=O)OC1(C)C
InChI: InChI=1S/C24H20O7/c1-13(25)29-21-23(2,3)31-22(27)24(21)12-28-17-10-9-15-16(26)11-18(30-20(15)19(17)24)14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3/t21-,24+/m1/s1
SMILES: CC1(CC2=C(C=C(N2)O[C@H]3[C@H]([C@H]([C@@H](CO3)O)O)O)C(=O)C1)C
InChI: InChI=1S/C15H21NO6/c1-15(2)4-8-7(9(17)5-15)3-11(16-8)22-14-13(20)12(19)10(18)6-21-14/h3,10,12-14,16,18-20H,4-6H2,1-2H3/t10-,12+,13+,14+/m1/s1
SMILES: COC1=CC(=C(C=C1)[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)C7=CC=C(C=C7)Br)O
InChI: InChI=1S/C33H20BrCl2F5N2O6/c1-49-14-6-7-16(19(44)10-14)21-15-8-9-17-20(29(46)42(28(17)45)13-4-2-12(34)3-5-13)18(15)11-32(35)30(47)43(31(48)33(21,32)36)27-25(40)23(38)22(37)24(39)26(27)41/h2-8,10,17-18,20-21,44H,9,11H2,1H3/t17-,18+,20-,21+,32+,33-/m0/s1
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C21H34N2O/c1-6-14(2)18-11-7-8-12-20(18)23-21(24)17(5)22-19-13-9-10-15(3)16(19)4/h7-8,11-12,14-17,19,22H,6,9-10,13H2,1-5H3,(H,23,24)/t14-,15-,16-,17-,19+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/2C17H19NO3.C4H6O6/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;5-1(3(7)8)2(6)4(9)10/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*10-,11+,13-,16-,17-;1-,2-/m001/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[N+]3=CC=C(N3CCOC=O)NC=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5.[I-]
InChI: InChI=1S/C33H35N5O8S.HI/c1-33(2,3)46-32(43)35-26-29(41)38-27(31(42)45-28(22-10-6-4-7-11-22)23-12-8-5-9-13-23)24(19-47-30(26)38)18-36-15-14-25(34-20-39)37(36)16-17-44-21-40;/h4-15,20-21,26,28,30H,16-19H2,1-3H3,(H,35,43);1H/t26-,30-;/m1./s1
SMILES: CCC12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(=O)O
InChI: InChI=1S/C27H20ClNO4/c1-2-27-18-9-5-3-7-15(18)21(16-8-4-6-10-19(16)27)22-23(27)25(31)29(24(22)30)14-11-12-20(28)17(13-14)26(32)33/h3-13,21-23H,2H2,1H3,(H,32,33)/t21?,22-,23-,27?/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)NC3=N[C@@H]4[C@H](O3)[C@H]([C@@H]([C@@]4(CO)O)O)Br)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C41H45BrN2O9/c42-32-34-37(41(47,26-45)38(32)46)43-40(53-34)44-39-36(51-24-30-19-11-4-12-20-30)35(50-23-29-17-9-3-10-18-29)33(49-22-28-15-7-2-8-16-28)31(52-39)25-48-21-27-13-5-1-6-14-27/h1-20,31-39,45-47H,21-26H2,(H,43,44)/t31-,32-,33-,34-,35+,36-,37-,38+,39+,41+/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)NC(=O)CCCCCNC(=O)C)CN4C=NC(=C4Cl)Cl
InChI: InChI=1S/C30H36Cl2N4O5/c1-19-25(16-36-18-34-28(31)29(36)32)40-30(41-27(19)22-9-7-21(17-37)8-10-22)23-11-13-24(14-12-23)35-26(39)6-4-3-5-15-33-20(2)38/h7-14,18-19,25,27,30,37H,3-6,15-17H2,1-2H3,(H,33,38)(H,35,39)/t19-,25+,27+,30+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C4=C(C=CC(=C4)C(=O)N)N[C@@H]3C5=CC=CC=C5
InChI: InChI=1S/C21H22N2O/c22-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(23-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,23H,6-7,10H2,(H2,22,24)/t13-,14+,18+,19+,20+/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)[O-])C
InChI: InChI=1S/C18H21NO5/c1-10-7-13(14(18(21)22)8-11(10)2)17(20)19-12-3-4-15-16(9-12)24-6-5-23-15/h3-4,9,13-14H,5-8H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-,14-/m0/s1
SMILES: CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C(/C(F)(F)F)\NC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C21H25F3N2O4S/c1-19(2)13-8-9-20(19)12-31(28,29)26(17(20)10-13)18(27)11-16(21(22,23)24)25-14-4-6-15(30-3)7-5-14/h4-7,11,13,17,25H,8-10,12H2,1-3H3/b16-11-/t13-,17+,20-/m0/s1
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C[C@@H](O[C@@H]5OC4=C1)OC(=O)CCl
InChI: InChI=1S/C19H15ClO8/c1-24-10-5-11-16(8-4-13(26-12(22)6-20)27-19(8)25-11)17-15(10)7-2-3-9(21)14(7)18(23)28-17/h5,8,13,19H,2-4,6H2,1H3/t8-,13+,19-/m0/s1
SMILES: CC1=CC=CC=C1C2=CC3=C([C@H]4[C@@]56CCN([C@@H]([C@@H]5C3)CC7=C6C(=C(C=C7)O)O4)C)N=C2
InChI: InChI=1S/C27H26N2O2/c1-15-5-3-4-6-19(15)18-11-17-12-20-21-13-16-7-8-22(30)25-23(16)27(20,9-10-29(21)2)26(31-25)24(17)28-14-18/h3-8,11,14,20-21,26,30H,9-10,12-13H2,1-2H3/t20-,21+,26-,27-/m0/s1
SMILES: CCC[C@@H]([C@H](C(=O)[C@]1(C[C@H]2CC[C@@]1(C2(C)C)C)O[Si](C)(C)C)Br)O
InChI: InChI=1S/C19H35BrO3Si/c1-8-9-14(21)15(20)16(22)19(23-24(5,6)7)12-13-10-11-18(19,4)17(13,2)3/h13-15,21H,8-12H2,1-7H3/t13-,14+,15-,18-,19+/m1/s1
SMILES: CN1CCN2[C@@H](C1)[C@]3(CC4=CC=CC=C42)C(=O)NC(=O)N(C3=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C23H23FN4O3/c1-26-10-11-27-18-5-3-2-4-16(18)12-23(19(27)14-26)20(29)25-22(31)28(21(23)30)13-15-6-8-17(24)9-7-15/h2-9,19H,10-14H2,1H3,(H,25,29,31)/t19-,23+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C25H32N2O3/c1-18-7-6-10-23(19(18)2)27-25(29)16-15-24(28)26-21-11-13-22(14-12-21)30-17-20-8-4-3-5-9-20/h3-5,8-9,11-14,18-19,23H,6-7,10,15-17H2,1-2H3,(H,26,28)(H,27,29)/t18-,19-,23-/m1/s1
SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)[C@H]([C@H](O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C
InChI: InChI=1S/C26H30O7/c1-13(2)6-7-15(14(3)4)10-18-20(29)12-21(32-5)22-23(30)24(31)26(33-25(18)22)17-9-8-16(27)11-19(17)28/h6,8-9,11-12,15,24,26-29,31H,3,7,10H2,1-2,4-5H3/t15?,24-,26-/m1/s1
SMILES: CSCC[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H19ClFN3O3S/c1-31-9-8-16-17-18(22(26-16)12-4-2-3-5-15(12)25-21(22)30)20(29)27(19(17)28)11-6-7-14(24)13(23)10-11/h2-7,10,16-18,26H,8-9H2,1H3,(H,25,30)/t16-,17-,18-,22+/m1/s1
SMILES: CC1=CC2=C(C=C1)O[C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H22O6/c1-12-5-10-18-17(11-12)20(25-13(2)22)21(26-14(3)23)19(27-18)15-6-8-16(24-4)9-7-15/h5-11,19-21H,1-4H3/t19-,20+,21-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H20ClNO4/c24-16-8-6-13(7-9-16)19(26)12-29-18-3-1-2-17(11-18)25-22(27)20-14-4-5-15(10-14)21(20)23(25)28/h1-3,6-9,11,14-15,20-21H,4-5,10,12H2/t14-,15+,20+,21-
SMILES: CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]1C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)12-10-13(16(20)21-4)18-14(12)11-8-6-5-7-9-11/h5-9,12-14,18H,10H2,1-4H3/t12-,13+,14+/m1/s1
SMILES: C[C@@]12CC[C@@H]([C@@H]1O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C13H13NO5/c1-13-7-6-10(11(13)19-13)18-12(15)8-2-4-9(5-3-8)14(16)17/h2-5,10-11H,6-7H2,1H3/t10-,11-,13+/m0/s1
SMILES: CC(=O)OC[C@@H]1CC2=CC3=C(C=C2[C@H]([C@@H]1C(=O)OC)C4=CC(=C(C(=C4)OC)OC)OC)OCO3
InChI: InChI=1S/C25H28O9/c1-13(26)32-11-16-6-14-7-18-19(34-12-33-18)10-17(14)22(23(16)25(27)31-5)15-8-20(28-2)24(30-4)21(9-15)29-3/h7-10,16,22-23H,6,11-12H2,1-5H3/t16-,22+,23+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CCC(=O)C4)C)O)C
InChI: InChI=1S/C21H32O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h14-19,24H,4-11H2,1-3H3/t14-,15+,16-,17+,18-,19+,20+,21-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C(=C)I)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C21H27IO2/c1-13(22)21(23)11-9-19-18-6-4-14-12-15(24-3)5-7-16(14)17(18)8-10-20(19,21)2/h5,7,12,17-19,23H,1,4,6,8-11H2,2-3H3/t17-,18-,19+,20+,21-/m1/s1
SMILES: CC(=CC(=O)O/C=C/[C@H]1[C@H](C(=O)[C@@H]2COC(C3[C@@H]2C[C@@]1(CC3)C)(C)C)CC(=O)C)C
InChI: InChI=1S/C25H36O5/c1-15(2)11-22(27)29-10-8-21-17(12-16(3)26)23(28)19-14-30-24(4,5)20-7-9-25(21,6)13-18(19)20/h8,10-11,17-21H,7,9,12-14H2,1-6H3/b10-8+/t17-,18-,19-,20?,21+,25+/m1/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4[C@@H]5CCCC[C@@H]5CC[C@@H]4C(=O)NC(C)(C)C
InChI: InChI=1S/C38H54N4O7/c1-6-47-33(44)21-39-37(46)40-29-12-9-11-28(20-29)36-48-32(24(2)34(49-36)27-16-14-25(23-43)15-17-27)22-42-30-13-8-7-10-26(30)18-19-31(42)35(45)41-38(3,4)5/h9,11-12,14-17,20,24,26,30-32,34,36,43H,6-8,10,13,18-19,21-23H2,1-5H3,(H,41,45)(H2,39,40,46)/t24-,26+,30+,31+,32+,34+,36+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@]23C=C[C@H](C=CC2=O)[C@@H]4[C@H]3C5=CC=CC=C45
InChI: InChI=1S/C22H18O2/c1-24-16-9-7-15(8-10-16)22-13-12-14(6-11-19(22)23)20-17-4-2-3-5-18(17)21(20)22/h2-14,20-21H,1H3/t14-,20-,21+,22+/m0/s1
SMILES: C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CC(C)C)CC(=O)NO
InChI: InChI=1S/C36H60N10O12S/c1-19(2)14-21(15-27(48)46-58)34(55)43-23(11-12-30(51)52)35(56)41-20(3)33(54)40-16-28(49)39-17-29(50)42-22(32(37)53)8-6-7-13-38-26(47)10-5-4-9-25-31-24(18-59-25)44-36(57)45-31/h19-25,31,58H,4-18H2,1-3H3,(H2,37,53)(H,38,47)(H,39,49)(H,40,54)(H,41,56)(H,42,50)(H,43,55)(H,46,48)(H,51,52)(H2,44,45,57)/t20-,21?,22-,23-,24-,25-,31-/m0/s1
SMILES: CC(C)[C@@H](C(=O)C1=NC=CS1)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CCC4)C(=O)C(=O)N)C3(C)C)C(C)(C)C
InChI: InChI=1S/C31H46N6O6S/c1-15(2)20(23(39)27-33-11-12-44-27)35-29(43)36-24(30(3,4)5)28(42)37-14-17-19(31(17,6)7)21(37)26(41)34-18(22(38)25(32)40)13-16-9-8-10-16/h11-12,15-21,24H,8-10,13-14H2,1-7H3,(H2,32,40)(H,34,41)(H2,35,36,43)/t17-,18?,19-,20-,21-,24+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4
InChI: InChI=1S/C24H31N3O3/c1-17-9-3-5-11-20(17)25-24(30)23(29)19-15-27(21-12-6-4-10-18(19)21)16-22(28)26-13-7-2-8-14-26/h4,6,10,12,15,17,20H,2-3,5,7-9,11,13-14,16H2,1H3,(H,25,30)/t17-,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)[C@H](C)OC(=O)C)CN4CCN(CC4)CC5=CC=CC=C5
InChI: InChI=1S/C35H43N3O6/c1-24-32(22-38-18-16-37(17-19-38)21-27-8-5-4-6-9-27)43-35(44-33(24)29-14-12-28(23-39)13-15-29)30-10-7-11-31(20-30)36-34(41)25(2)42-26(3)40/h4-15,20,24-25,32-33,35,39H,16-19,21-23H2,1-3H3,(H,36,41)/t24-,25-,32+,33+,35+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H]3CCCC[C@@]3(CCN2CC4=CC(=CC=C4)F)O)OC
InChI: InChI=1S/C24H30FNO3/c1-28-19-9-10-20(22(15-19)29-2)23-21-8-3-4-11-24(21,27)12-13-26(23)16-17-6-5-7-18(25)14-17/h5-7,9-10,14-15,21,23,27H,3-4,8,11-13,16H2,1-2H3/t21-,23+,24+/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C45H56N2O8S/c1-4-25-53-45-41(47(2)44(50)51-3)30-39(46-54-31-32-15-7-5-8-16-32)37-28-33(17-11-13-23-48)36(20-12-14-24-49)42(43(37)45)38-29-34(21-22-40(38)55-45)52-26-27-56-35-18-9-6-10-19-35/h4-10,15-16,18-19,21-22,28-29,33,36,41-43,48-49H,1,11-14,17,20,23-27,30-31H2,2-3H3/t33-,36+,41-,42+,43+,45+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)CCN3C(=O)COC4=CC=CC=C43
InChI: InChI=1S/C22H28N2O5/c25-20-14-28-19-10-4-3-9-18(19)24(20)13-11-22(27)29-15-21(26)23-12-5-7-16-6-1-2-8-17(16)23/h3-4,9-10,16-17H,1-2,5-8,11-15H2/t16-,17-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@H]2C[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N1C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H33NO5Si/c1-15(24)26-14-19-17-12-18(20(17)28-29(5,6)22(2,3)4)23(19)21(25)27-13-16-10-8-7-9-11-16/h7-11,17-20H,12-14H2,1-6H3/t17-,18-,19+,20-/m1/s1
SMILES: C1CC1CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5CC5
InChI: InChI=1S/C23H28N2O5/c26-10-9-24-22(28)16-11-17(25(12-13-5-6-13)23(29)14-7-8-14)20(27)21-19(16)15-3-1-2-4-18(15)30-21/h1-4,11,13-14,17,19-21,26-27H,5-10,12H2,(H,24,28)/t17-,19+,20+,21+/m1/s1
SMILES: CC(C)(C)C1=CC2=C3C(=CNC3=C1)C[C@@H]4[C@@H]2C[C@H](CN4C)CO
InChI: InChI=1S/C20H28N2O/c1-20(2,3)14-7-16-15-5-12(11-23)10-22(4)18(15)6-13-9-21-17(8-14)19(13)16/h7-9,12,15,18,21,23H,5-6,10-11H2,1-4H3/t12-,15-,18-/m1/s1
SMILES: CCOC(C1=CN=NN1[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCC=C)OCC=C)CCCCO)CCCCO)OCC
InChI: InChI=1S/C44H57N5O10/c1-5-23-56-33-19-20-39-36(26-33)41-34(14-10-12-22-51)31(13-9-11-21-50)25-35-37(46-58-29-30-15-17-32(18-16-30)49(52)53)27-40(44(59-39,42(35)41)57-24-6-2)48-38(28-45-47-48)43(54-7-3)55-8-4/h5-6,15-20,25-26,28,31,34,40-43,50-51H,1-2,7-14,21-24,27,29H2,3-4H3/t31-,34+,40-,41+,42+,44+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C=C7)O)C)C(=O)N(C5=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
InChI: InChI=1S/C47H38N4O6/c1-26-12-17-31(18-13-26)49-51-44(54)36-25-35-33(41(29-16-23-38(52)27(2)24-29)47(36,46(51)56)30-8-4-3-5-9-30)21-22-34-40(35)45(55)50(43(34)53)32-19-14-28(15-20-32)42-48-37-10-6-7-11-39(37)57-42/h3-21,23-24,34-36,40-41,49,52H,22,25H2,1-2H3/t34-,35+,36-,40-,41-,47+/m0/s1