EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H]([C@@]5(C)COS(=O)(=O)O)OS(=O)(=O)O)C)C
InChI: InChI=1S/C30H48O9S2/c1-19(2)15-21(31)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-38-40(32,33)34)25(39-41(35,36)37)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20,22-25H,7-14,16-18H2,1-6H3,(H,32,33,34)(H,35,36,37)/t20-,22-,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1
SMILES: CCCCCCCCCC[C@H]1[C@@H](CC[C@H](O1)[C@@H](C#C[C@@H]([C@@H]2[C@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC)O)OCOC
InChI: InChI=1S/C59H92O10Si2/c1-14-15-16-17-18-19-20-30-37-51-50(63-43-61-8)41-40-49(66-51)48(60)38-39-52(64-44-62-9)54-56(69-71(12,13)58(5,6)7)55(68-70(10,11)57(2,3)4)53(67-54)42-65-59(45-31-24-21-25-32-45,46-33-26-22-27-34-46)47-35-28-23-29-36-47/h21-29,31-36,48-56,60H,14-20,30,37,40-44H2,1-13H3/t48-,49+,50-,51+,52+,53-,54-,55-,56-/m1/s1
SMILES: CC(=O)NC1=NN=C(S1)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C15H21N3O6S/c1-6(19)16-13-18-17-11(25-13)9-7-8(22-14(2,3)21-7)10-12(20-9)24-15(4,5)23-10/h7-10,12H,1-5H3,(H,16,18,19)/t7-,8+,9+,10-,12-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2
InChI: InChI=1S/C20H23N3O5/c1-13-6-2-3-7-14(13)22-20(26)23-17(24)12-27-19(25)11-10-18-21-15-8-4-5-9-16(15)28-18/h4-5,8-11,13-14H,2-3,6-7,12H2,1H3,(H2,22,23,24,26)/b11-10+/t13-,14+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=CC=C(C=C2)F
InChI: InChI=1S/C17H24FNOS/c1-11-5-4-6-16(12(11)2)19-17(20)13(3)21-15-9-7-14(18)8-10-15/h7-13,16H,4-6H2,1-3H3,(H,19,20)/t11-,12+,13+,16-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)/C(=C/C)/COCC(=O)OC)O)O
InChI: InChI=1S/C23H36O5/c1-4-6-7-8-19(24)9-10-20-21-12-17(11-18(21)13-22(20)25)16(5-2)14-28-15-23(26)27-3/h5,9-11,18-22,24-25H,4,6-8,12-15H2,1-3H3/b10-9+,16-5+/t18-,19-,20+,21-,22+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)[C@@]6(CCC7=CC=CC=C7C6)C[C@]3([C@H]2CC8=C4C(=C(C=C8)O)O5)O
InChI: InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22-,26+,27-,28+,29-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1N2CCCCCCCC2)C(=O)O)N
InChI: InChI=1S/C17H29N3O3/c1-12(21)19-16-14(18)10-13(17(22)23)11-15(16)20-8-6-4-2-3-5-7-9-20/h11,14-16H,2-10,18H2,1H3,(H,19,21)(H,22,23)/t14-,15+,16+/m0/s1
SMILES: C/C=C(/CN1CC[C@@]23[C@@H]1CC=C[C@@H]2NC4=CC=CC=C34)\I
InChI: InChI=1S/C18H21IN2/c1-2-13(19)12-21-11-10-18-14-6-3-4-7-15(14)20-16(18)8-5-9-17(18)21/h2-8,16-17,20H,9-12H2,1H3/b13-2-/t16-,17-,18-/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)NC(=S)NN
InChI: InChI=1S/C12H19N3O7S/c1-5(16)20-8-4-19-11(14-12(23)15-13)10(22-7(3)18)9(8)21-6(2)17/h8-11H,4,13H2,1-3H3,(H2,14,15,23)/t8-,9+,10-,11-/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)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6[C@@H]7CCCC[C@@H]7CC[C@@H]6C(=O)NC(C)(C)C
InChI: InChI=1S/C47H59F3N4O6/c1-29-40(27-54-37-15-6-5-11-32(37)21-22-39(54)43(57)52-46(2,3)4)59-44(60-41(29)33-19-17-30(28-55)18-20-33)36-14-8-13-35(25-36)34-12-7-10-31(24-34)26-51-42(56)38-16-9-23-53(38)45(58)47(48,49)50/h7-8,10,12-14,17-20,24-25,29,32,37-41,44,55H,5-6,9,11,15-16,21-23,26-28H2,1-4H3,(H,51,56)(H,52,57)/t29-,32+,37+,38-,39+,40+,41+,44+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI: InChI=1S/C41H79NO7/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(45)42-35(33-48-41-40(47)39(46)37(44)34-49-41)36(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-41,43-44,46-47H,3-28,30,32-34H2,1-2H3,(H,42,45)/b31-29+/t35-,36+,37+,39-,40+,41+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](S1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H30O5S/c1-21(29)33-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(34-28)20-30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27-,28+/m1/s1
SMILES: C[C@H]1[C@H](O[C@](CC1C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](/C=C/CCCCCC(=O)O)O)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C31H53NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h11,13,18-22,24-27,29,33,36H,8-10,12,14-17H2,1-7H3,(H,32,37)(H,34,35)/b13-11+/t18?,19-,20-,21-,22-,24+,25+,26-,27-,29-,31-/m1/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]1[C@@]([C@@H](C2)OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)OCC)N=[N+]=[N-])F
InChI: InChI=1S/C19H20Cl2FN3O5/c1-3-28-16(26)18(22)11-8-14(30-9-10-5-6-12(20)13(21)7-10)19(15(11)18,24-25-23)17(27)29-4-2/h5-7,11,14-15H,3-4,8-9H2,1-2H3/t11-,14-,15+,18-,19+/m1/s1
SMILES: C[C@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC(C)C)C3=CC=CC=C3F)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C23H26FNO5/c1-11(2)30-23(28)18-13(4)25-16-10-12(3)17(22(27)29-5)21(26)20(16)19(18)14-8-6-7-9-15(14)24/h6-9,11-12,17,19,25H,10H2,1-5H3/t12-,17+,19+/m0/s1
SMILES: [3H]C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O
InChI: InChI=1S/C6H13O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1/i1T/t1?,3-,4+,5+,6+
SMILES: CCOC(=O)[C@@H]1C[C@@]2(C3=C(C=CC(=C3)F)NC2=O)N4[C@H]1CCC4
InChI: InChI=1S/C17H19FN2O3/c1-2-23-15(21)11-9-17(20-7-3-4-14(11)20)12-8-10(18)5-6-13(12)19-16(17)22/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,19,22)/t11-,14+,17+/m1/s1
SMILES: CCCCCCCCCCO[C@@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COCCCN3CCN(CC3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C32H54N2O6/c1-5-6-7-8-9-10-11-12-24-37-29-28(38-31-30(29)39-32(2,3)40-31)25-36-23-13-18-33-19-21-34(22-20-33)26-14-16-27(35-4)17-15-26/h14-17,28-31H,5-13,18-25H2,1-4H3/t28-,29-,30-,31-/m1/s1
SMILES: C[C@@]1([C@H]([C@@H](NC2=NN=C(N21)C(F)(F)F)C3=CC=C(C=C3)Br)C(=O)OC)O
InChI: InChI=1S/C15H14BrF3N4O3/c1-14(25)9(11(24)26-2)10(7-3-5-8(16)6-4-7)20-13-22-21-12(23(13)14)15(17,18)19/h3-6,9-10,25H,1-2H3,(H,20,22)/t9-,10+,14+/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC
InChI: InChI=1S/C15H18N2O6/c1-8-4-10(8)15(19)23-7-14(18)16-11-6-13(22-3)12(17(20)21)5-9(11)2/h5-6,8,10H,4,7H2,1-3H3,(H,16,18)/t8-,10+/m0/s1
SMILES: CS(=O)C1=CC=CC2=C(C=CN=C21)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C34H42N4O8S/c1-47(44)28-14-8-13-25-27(15-16-35-30(25)28)45-24-18-26-31(40)37-34(32(41)42)19-21(34)9-4-2-3-5-10-22(17-29(39)38(26)20-24)36-33(43)46-23-11-6-7-12-23/h4,8-9,13-16,21-24,26H,2-3,5-7,10-12,17-20H2,1H3,(H,36,43)(H,37,40)(H,41,42)/b9-4-/t21-,22+,24-,26+,34-,47?/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)[C@@H](C[C@]5([C@@]4(C(=O)C[C@](C5)(C)O)O)O)O)O)O)O
InChI: InChI=1S/C25H28O11/c1-9-19(29)12(26)5-14(36-9)10-3-4-11-16(20(10)30)22(32)17-13(27)6-24(34)8-23(2,33)7-15(28)25(24,35)18(17)21(11)31/h3-4,9,12-14,19,26-27,29-30,33-35H,5-8H2,1-2H3/t9-,12-,13-,14-,19-,23+,24+,25+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@@H]1CC(=O)C(C2)Br)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C17H25BrO5/c1-9(19)22-13-7-14(23-15(21)16(2,3)4)17(5)8-11(18)12(20)6-10(13)17/h10-11,13-14H,6-8H2,1-5H3/t10-,11?,13+,14+,17+/m1/s1
SMILES: CC(=O)O[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
InChI: InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21+,22+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C21H21NO4/c1-25-13-7-9-19(26-2)17(11-13)20-15-5-3-4-14(15)16-10-12(21(23)24)6-8-18(16)22-20/h3-4,6-11,14-15,20,22H,5H2,1-2H3,(H,23,24)/t14-,15+,20-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@@H]3CC(=S)NC3)C(=O)OC4=CC=CC=C4)[C@@H](C)OC(=O)[C@H](C)N
InChI: InChI=1S/C23H27N3O5S2/c1-11-18-17(13(3)30-22(28)12(2)24)21(27)26(18)19(20(11)33-15-9-16(32)25-10-15)23(29)31-14-7-5-4-6-8-14/h4-8,11-13,15,17-18H,9-10,24H2,1-3H3,(H,25,32)/t11-,12+,13-,15-,17-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)N=[N+]=[N-])C
InChI: InChI=1S/C19H29N3/c1-18-9-3-4-16(18)15-6-5-13-12-14(21-22-20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17H,4-8,10-12H2,1-2H3/t13-,14+,15+,16+,17-,18-,19-/m0/s1
SMILES: C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)CNC
InChI: InChI=1S/C13H22N4O5/c1-6(12(14)21)16-13(22)7-3-8(11(20)9(18)4-7)17-10(19)5-15-2/h3,6,8-9,11,15,18,20H,4-5H2,1-2H3,(H2,14,21)(H,16,22)(H,17,19)/t6-,8-,9-,11-/m1/s1
SMILES: C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)N2C[C@@H]([C@](C2)(C(C)C)O)C(=C)C
InChI: InChI=1S/C20H35NO2/c1-13(2)17-11-21(12-20(17,23)14(3)4)19(6,7)16-9-8-15(5)10-18(16)22/h14-17,23H,1,8-12H2,2-7H3/t15-,16-,17-,20+/m1/s1
SMILES: C[C@@H]1C[C@]2([C@H](CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@]4(COC)O)C)CC1=O)C
InChI: InChI=1S/C22H36O3/c1-14-12-20(2)15(11-19(14)23)5-6-16-17(20)7-9-21(3)18(16)8-10-22(21,24)13-25-4/h14-18,24H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,20+,21+,22-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
InChI: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3/t21-,22-,23?,24?,26-,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)[C@H]4C(S(C5N4C(=O)C5)([O-])[O-])(C)C)C
InChI: InChI=1S/C25H32N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21,35-36H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/p-2/t14?,15?,16-,17-,18+,21-;/m1./s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6=O)O)C)O)C)C)OC1
InChI: InChI=1S/C27H42O5/c1-14-5-10-27(31-13-14)15(2)22-21(32-27)12-18-16-11-20(29)23-24(30)19(28)7-9-25(23,3)17(16)6-8-26(18,22)4/h14-23,28-29H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20-,21+,22+,23+,25-,26+,27-/m1/s1
SMILES: CCN1C(=O)C2=C(N=C1S[C@H](C)C(=O)N[C@@H]3CCC[C@@H]([C@@H]3C)C)SC(=C2C)C
InChI: InChI=1S/C21H31N3O2S2/c1-7-24-20(26)17-13(4)14(5)27-19(17)23-21(24)28-15(6)18(25)22-16-10-8-9-11(2)12(16)3/h11-12,15-16H,7-10H2,1-6H3,(H,22,25)/t11-,12-,15+,16+/m0/s1
SMILES: C1CC[C@]23[C@H](C1)[C@H](C4=C(N2C5=CC=CC6=C5C(=CC=C6)N3)CCCC4)C7=CC=CC=C7
InChI: InChI=1S/C29H30N2/c1-2-10-20(11-3-1)27-22-14-4-5-17-25(22)31-26-18-9-13-21-12-8-16-24(28(21)26)30-29(31)19-7-6-15-23(27)29/h1-3,8-13,16,18,23,27,30H,4-7,14-15,17,19H2/t23-,27+,29-/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=C(C=CC(=C8)OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)C=CC1=C(C=CC(=C1)OC)OC)C
InChI: InChI=1S/C51H45ClN4O8S/c1-26-35-22-29(52)11-20-42(35)65-46(26)39-25-43(54(3)53-39)56-48(59)38-24-36-33(45(51(38,2)50(56)61)37-23-32(63-5)14-18-40(37)57)16-17-34-44(36)49(60)55(47(34)58)30-12-8-27(9-13-30)7-10-28-21-31(62-4)15-19-41(28)64-6/h7-16,18-23,25,34,36,38,44-45,57H,17,24H2,1-6H3/t34-,36+,38-,44-,45+,51+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)OC
InChI: InChI=1S/C19H26N2O6/c1-12-6-4-5-7-14(12)20-19(24)21-17(22)11-27-15-9-8-13(18(23)26-3)10-16(15)25-2/h8-10,12,14H,4-7,11H2,1-3H3,(H2,20,21,22,24)/t12-,14-/m1/s1
SMILES: C[C@H]1[C@@H](N(C(=O)N1C)CS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C19H22N2O3S/c1-14-9-11-17(12-10-14)25(23,24)13-21-18(15(2)20(3)19(21)22)16-7-5-4-6-8-16/h4-12,15,18H,13H2,1-3H3/t15-,18+/m0/s1
SMILES: CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)N[C@H]3CCCC[C@H]3C
InChI: InChI=1S/C22H31N5O2S/c1-3-4-9-14-27-21(29)17-12-7-6-11-16(17)19(26-27)20(28)24-25-22(30)23-18-13-8-5-10-15(18)2/h6-7,11-12,15,18H,3-5,8-10,13-14H2,1-2H3,(H,24,28)(H2,23,25,30)/t15-,18+/m1/s1
SMILES: C/C(=C\C(=O)C[C@]12[C@H]3CC[C@]([C@@H]1C3)(OC2=O)C)/C(=O)N
InChI: InChI=1S/C15H19NO4/c1-8(12(16)18)5-10(17)7-15-9-3-4-14(2,11(15)6-9)20-13(15)19/h5,9,11H,3-4,6-7H2,1-2H3,(H2,16,18)/b8-5+/t9-,11-,14+,15-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C(=C(C5=O)C)C)C)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)O
InChI: InChI=1S/C39H44N2O6/c1-5-47-32-19-25(11-14-31(32)42)34-27-12-13-28-33(29(27)20-30-35(43)22(2)23(3)36(44)39(30,34)4)38(46)41(37(28)45)26-15-17-40(18-16-26)21-24-9-7-6-8-10-24/h6-12,14,19,26,28-30,33-34,42H,5,13,15-18,20-21H2,1-4H3/t28-,29+,30-,33-,34-,39+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CCO)CCC4[C@@]3(CCCC4)C
InChI: InChI=1S/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3/t15?,16-,17+,18+,19+,20+,21-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)N[C@@H](C(=O)N2)CC(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C16H20FN3O2/c17-10-5-7-11(8-6-10)18-15(21)9-14-16(22)20-13-4-2-1-3-12(13)19-14/h5-8,12-14,19H,1-4,9H2,(H,18,21)(H,20,22)/t12-,13+,14+/m0/s1
SMILES: CCCCN(CCCC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
InChI: InChI=1S/C18H28N5O6P/c1-3-5-7-22(8-6-4-2)16-13-17(20-10-19-16)23(11-21-13)18-14(24)15-12(28-18)9-27-30(25,26)29-15/h10-12,14-15,18,24H,3-9H2,1-2H3,(H,25,26)/t12-,14-,15-,18-/m1/s1
SMILES: CC(CO)C1=C2[C@H]3C[C@H]([C@H]4[C@@H]([C@@H]([C@@]3(CC[C@]2(CC1)C)C)OC4O)OC)OC
InChI: InChI=1S/C22H36O5/c1-12(11-23)13-6-7-21(2)8-9-22(3)14(17(13)21)10-15(25-4)16-18(26-5)19(22)27-20(16)24/h12,14-16,18-20,23-24H,6-11H2,1-5H3/t12?,14-,15-,16+,18+,19+,20?,21-,22-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C=C(C=C6OC)O)OC)C(=O)C=C(C5=O)Br
InChI: InChI=1S/C32H26BrNO8/c1-14(35)15-4-6-16(7-5-15)34-31(39)19-9-8-18-20(26(19)32(34)40)12-21-27(23(37)13-22(33)30(21)38)28(18)29-24(41-2)10-17(36)11-25(29)42-3/h4-8,10-11,13,19-20,26,28,36H,9,12H2,1-3H3/t19-,20+,26-,28-/m0/s1
SMILES: CCOC#CC1(C(=CC(=O)[C@@H]2[C@]1([C@@H]3CC4(CC3=C(C2)O[Si](C)(C)C(C)(C)C)SCCCS4)C)C)O
InChI: InChI=1S/C28H42O4S2Si/c1-9-31-12-11-28(30)19(2)15-23(29)21-16-24(32-35(7,8)25(3,4)5)20-17-27(33-13-10-14-34-27)18-22(20)26(21,28)6/h15,21-22,30H,9-10,13-14,16-18H2,1-8H3/t21-,22-,26+,28?/m1/s1
SMILES: CC(CO)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CCC(=O)C4=[N+]=[N-])C)C
InChI: InChI=1S/C22H34N2O2/c1-13(12-25)15-6-7-16-14-4-5-18-20(24-23)19(26)9-11-22(18,3)17(14)8-10-21(15,16)2/h13-18,25H,4-12H2,1-3H3/t13?,14?,15-,16?,17?,18?,21-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](C(=O)OC)NC(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H28Cl6N2O14/c1-9(31)38-6-13-15(42-10(2)32)16(43-11(3)33)14(30-20(36)41-8-22(26,27)28)18(44-13)39-5-12(17(34)37-4)29-19(35)40-7-21(23,24)25/h12-16,18H,5-8H2,1-4H3,(H,29,35)(H,30,36)/t12-,13+,14+,15+,16+,18-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H14ClF3N2O3/c19-12-8-4-7-11(9-12)14-13(15(25)10-5-2-1-3-6-10)17(27,18(20,21)22)24-16(26)23-14/h1-9,13-14,27H,(H2,23,24,26)/t13-,14-,17-/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N4C=CC5=CC=CC=C5[C@H]4[C@@H]3C2=O)C#N
InChI: InChI=1S/C21H15N3O2/c22-12-16-17-18(19-15-9-5-4-6-13(15)10-11-23(16)19)21(26)24(20(17)25)14-7-2-1-3-8-14/h1-11,16-19H/t16-,17+,18-,19+/m1/s1
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CC/C(=N\O)/C=C4CC[C@@H]23)C5=CC=C(C=C5)N6CCOCC6)C)C(=O)C
InChI: InChI=1S/C33H40N2O3/c1-4-14-33(22(2)36)15-13-30-28-11-7-24-20-25(34-37)8-12-27(24)31(28)29(21-32(30,33)3)23-5-9-26(10-6-23)35-16-18-38-19-17-35/h5-6,9-10,20,28-30,37H,7-8,11-13,15-19,21H2,1-3H3/b34-25+/t28-,29+,30-,32-,33+/m0/s1
SMILES: CCC1=N[C@H]2C[C@@]3([C@H]4[C@@H]([C@@H]1[C@@H]2CO4)O)C5=C(C=C(C=C5)OC)N(C3=O)OC
InChI: InChI=1S/C20H24N2O5/c1-4-13-16-11-9-27-18(17(16)23)20(8-14(11)21-13)12-6-5-10(25-2)7-15(12)22(26-3)19(20)24/h5-7,11,14,16-18,23H,4,8-9H2,1-3H3/t11-,14+,16-,17-,18-,20+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3CC[C@H](C[C@H]3OC)C#C
InChI: InChI=1S/C25H32O2Si/c1-6-20-17-18-23(24(19-20)26-5)27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h1,7-16,20,23-24H,17-19H2,2-5H3/t20-,23-,24-/m1/s1
SMILES: CC(=O)C1=NC2=C(O1)C(=CC(=C2)CNC3=C4C(=NC(=N3)Cl)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)C(=O)NC)O)O)Br
InChI: InChI=1S/C21H19BrClN7O6/c1-7(31)19-27-10-4-8(3-9(22)14(10)35-19)5-25-16-11-17(29-21(23)28-16)30(6-26-11)20-13(33)12(32)15(36-20)18(34)24-2/h3-4,6,12-13,15,20,32-33H,5H2,1-2H3,(H,24,34)(H,25,28,29)/t12-,13+,15-,20+/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)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9)O
InChI: InChI=1S/C45H40N2O7/c1-53-38-24-28(12-19-37(38)48)41-32-17-18-33-40(44(52)47(43(33)51)31-15-13-30(14-16-31)46-20-22-54-23-21-46)35(32)25-36-42(50)34(27-8-4-2-5-9-27)26-39(49)45(36,41)29-10-6-3-7-11-29/h2-17,19,24,26,33,35-36,40-41,48H,18,20-23,25H2,1H3/t33-,35+,36-,40-,41-,45-/m0/s1
SMILES: C/C=C(\C)/[C@@H]1C[C@H]2C(=CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=O)O1
InChI: InChI=1S/C20H30O2/c1-6-13(2)16-12-15-14(18(21)22-16)8-9-17-19(3,4)10-7-11-20(15,17)5/h6,8,15-17H,7,9-12H2,1-5H3/b13-6+/t15-,16-,17-,20+/m0/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)CNC(=O)CCC(=O)O)CSC5=NN=C(S5)C
InChI: InChI=1S/C33H35N3O6S2/c1-20-28(19-43-33-36-35-21(2)44-33)41-32(42-31(20)24-11-9-22(18-37)10-12-24)27-8-4-7-26(16-27)25-6-3-5-23(15-25)17-34-29(38)13-14-30(39)40/h3-12,15-16,20,28,31-32,37H,13-14,17-19H2,1-2H3,(H,34,38)(H,39,40)/t20-,28+,31+,32+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OP(=O)(O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C42H37O12P/c1-48-42-38(53-41(45)29-19-9-4-10-20-29)37(52-40(44)28-17-7-3-8-18-28)36(35(51-42)26-49-39(43)27-15-5-2-6-16-27)54-55(46,47)50-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,34-38,42H,25-26H2,1H3,(H,46,47)/t35-,36+,37+,38-,42-/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC(O4)(C5CC5)C6CC6)C(=O)NCC7=CC(=CC=C7)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C47H56N2O13/c1-45(2,3)61-38(52)20-18-33(25-50)49-42(54)29-11-8-9-27(21-29)24-48-41(53)30-22-35(39-36(23-30)60-47(62-39,31-14-15-31)32-16-17-32)58-43(55)34-12-7-6-10-28(34)13-19-37(51)59-40-44(56)57-26-46(40,4)5/h6-13,19,21,23,31-33,35-36,39-40,50H,14-18,20,22,24-26H2,1-5H3,(H,48,53)(H,49,54)/t33-,35+,36+,39-,40-/m0/s1
SMILES: C1CO[C@@H]2[C@@H]1[C@@H](NC3=CC=CC=C23)C4=CC=CC=C4
InChI: InChI=1S/C17H17NO/c1-2-6-12(7-3-1)16-14-10-11-19-17(14)13-8-4-5-9-15(13)18-16/h1-9,14,16-18H,10-11H2/t14-,16-,17-/m0/s1
SMILES: CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NNC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C26H27N3O6/c1-2-34-19-11-13-20(14-12-19)35-16-17-7-9-18(10-8-17)24(31)28-27-23(30)15-29-25(32)21-5-3-4-6-22(21)26(29)33/h3-4,7-14,21-22H,2,5-6,15-16H2,1H3,(H,27,30)(H,28,31)/t21-,22+
SMILES: C[C@H](CCC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3CC[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4[C@@H](C[C@@H]6[C@@]5(CC[C@H](C6)O)C)O)O)C
InChI: InChI=1S/C37H50O5/c1-23(14-17-33(41)42-35(24-10-6-4-7-11-24)25-12-8-5-9-13-25)28-15-16-29-34-30(22-32(40)37(28,29)3)36(2)19-18-27(38)20-26(36)21-31(34)39/h4-13,23,26-32,34-35,38-40H,14-22H2,1-3H3/t23-,26-,27-,28-,29+,30+,31-,32+,34+,36+,37-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H](C[C@H]2C3=C(CCC[C@@H]31)C(=O)O2)C)CC=O
InChI: InChI=1S/C17H22O5/c1-3-21-16(20)17(7-8-18)10(2)9-13-14-11(15(19)22-13)5-4-6-12(14)17/h8,10,12-13H,3-7,9H2,1-2H3/t10-,12+,13+,17-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)NC(=O)OCC=C)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)OCC=C)C4=CSC(=N4)C5=CC=CO5
InChI: InChI=1S/C28H26N6O8S2/c1-4-10-41-26(37)22-15(16-13-43-24(29-16)19-7-6-12-40-19)8-9-18-21(25(36)34(18)22)31-23(35)20(33-39-3)17-14-44-27(30-17)32-28(38)42-11-5-2/h4-7,12-14,18,21H,1-2,8-11H2,3H3,(H,31,35)(H,30,32,38)/b33-20-/t18-,21+/m1/s1
SMILES: CN(C)C(=O)C[C@]1([C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO)O
InChI: InChI=1S/C13H20N4O6/c1-16(2)9(19)5-13(22)7(6-18)23-11(10(13)20)17-4-3-8(14)15-12(17)21/h3-4,7,10-11,18,20,22H,5-6H2,1-2H3,(H2,14,15,21)/t7-,10+,11-,13-/m1/s1
SMILES: CCCCCC1=NN=C(S1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H26N4O3S/c1-2-3-4-9-15-20-21-18(26-15)19-14(23)10-11-22-16(24)12-7-5-6-8-13(12)17(22)25/h12-13H,2-11H2,1H3,(H,19,21,23)/t12-,13+
SMILES: CNC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C17H22N2O2/c1-18-17(21)12-4-6-15(7-5-12)19-16(20)10-14-9-11-2-3-13(14)8-11/h4-7,11,13-14H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)/t11-,13-,14+/m0/s1
SMILES: CCC[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C21H29N3O4/c1-6-12-21(20(27)28-7-2)16-15(18(25)24(5)19(16)26)17(22-21)13-8-10-14(11-9-13)23(3)4/h8-11,15-17,22H,6-7,12H2,1-5H3/p+1/t15-,16+,17-,21+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN=[N+]=[N-])O)O)C(=O)O)OCC#N
InChI: InChI=1S/C13H17N5O7/c1-6(19)17-10-8(24-3-2-14)4-9(13(22)23)25-12(10)11(21)7(20)5-16-18-15/h4,7-8,10-12,20-21H,3,5H2,1H3,(H,17,19)(H,22,23)/t7-,8+,10-,11-,12-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(C)C
InChI: InChI=1S/C26H31NO4/c1-16(2)19-13-12-17(3)15-22(19)31-23(28)11-6-14-27-25(29)20-9-4-7-18-8-5-10-21(24(18)20)26(27)30/h4-5,7-10,16-17,19,22H,6,11-15H2,1-3H3/t17-,19-,22-/m1/s1
SMILES: CC1=CCC[C@H]2[C@]1(CC[C@H]([C@]2(C)CCC3=COC=C3)C(=O)O)C
InChI: InChI=1S/C20H28O3/c1-14-5-4-6-17-19(14,2)11-8-16(18(21)22)20(17,3)10-7-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,19-,20-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H36O6/c36-21-31-33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)32(41-31)26-37-22-27-13-5-1-6-14-27/h1-21,31-35H,22-26H2/t31-,32+,33-,34+,35+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C/2\C[C@H]3[C@H]2CC=C3
InChI: InChI=1S/C18H22N2O/c1-18(2,3)14-9-7-12(8-10-14)17(21)20-19-16-11-13-5-4-6-15(13)16/h4-5,7-10,13,15H,6,11H2,1-3H3,(H,20,21)/b19-16+/t13-,15+/m0/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@]2(C1=O)C)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)C7=CC=CC=C7O)C)C
InChI: InChI=1S/C37H39N5O8/c1-19-20(2)32(45)37(4)30(22-10-8-9-11-27(22)43)21-12-15-41-34(47)40(35(48)42(41)26(21)18-36(37,3)31(19)44)14-13-23-33(46)39(5)25-17-29(50-7)28(49-6)16-24(25)38-23/h8-12,16-17,26,30,43H,13-15,18H2,1-7H3/t26-,30-,36+,37-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)CCC(=O)O
InChI: InChI=1S/C44H37NO8/c46-36-22-29(53-25-26-10-4-1-5-11-26)16-17-31(36)40-30-18-19-32-39(43(52)45(42(32)51)21-20-38(48)49)34(30)23-35-41(50)33(27-12-6-2-7-13-27)24-37(47)44(35,40)28-14-8-3-9-15-28/h1-18,22,24,32,34-35,39-40,46H,19-21,23,25H2,(H,48,49)/t32-,34+,35-,39-,40+,44-/m0/s1
SMILES: CC1=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)C8CCCCC8)O
InChI: InChI=1S/C39H37ClN2O5/c1-22-19-23(15-18-32(22)43)34-28-16-17-29-33(37(46)41(35(29)44)26-12-6-3-7-13-26)30(28)21-31-36(45)42(27-14-8-11-25(40)20-27)38(47)39(31,34)24-9-4-2-5-10-24/h2,4-5,8-11,14-16,18-20,26,29-31,33-34,43H,3,6-7,12-13,17,21H2,1H3/t29-,30+,31-,33-,34-,39+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4N(C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)CCCC#N)C
InChI: InChI=1S/C30H28N6O5/c1-30(2)40-23-21(15-9-10-16-31)39-29(24(23)41-30)35-18-34-22-25(35)32-17-33-26(22)36(27(37)19-11-5-3-6-12-19)28(38)20-13-7-4-8-14-20/h3-8,11-14,17-18,21,23-24,29H,9-10,15H2,1-2H3/t21-,23-,24-,29-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NCC3=CC=CO3
InChI: InChI=1S/C18H22N4O6/c1-11-5-2-3-7-13(11)22-16(25)15(24)21(18(22)27)10-14(23)20-17(26)19-9-12-6-4-8-28-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3,(H2,19,20,23,26)/t11-,13-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@@H](O2)[C@H](N1S(=O)(=O)C3=CC=C(C=C3)C)O
InChI: InChI=1S/C14H19NO4S/c1-9-3-5-11(6-4-9)20(17,18)15-10(2)12-7-8-13(19-12)14(15)16/h3-6,10,12-14,16H,7-8H2,1-2H3/t10-,12-,13+,14+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4N(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI: InChI=1S/C26H46N6O6SSi2/c1-24(2,3)40(9,10)35-13-18-26(17(27)14-39(33,34)38-26)20(37-41(11,12)25(4,5)6)23(36-18)32-16-30-19-21(31(7)8)28-15-29-22(19)32/h14-16,18,20,23H,13,27H2,1-12H3/t18-,20+,23-,26?/m1/s1
SMILES: C1=CC=C2[C@H]3[C@H]4[C@H]([C@H](N3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C25H17N3O2/c26-14-20-21-22(23-18-10-4-2-7-16(18)12-13-27(20)23)25(30)28(24(21)29)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20-23H/t20-,21+,22-,23+/m1/s1