EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(C)(C)C/C=C/C(C)(C)O
InChI: InChI=1S/C28H44O3/c1-19-21(17-22(29)18-24(19)30)11-10-20-9-7-16-28(6)23(20)12-13-25(28)26(2,3)14-8-15-27(4,5)31/h8,10-11,15,22-25,29-31H,1,7,9,12-14,16-18H2,2-6H3/b15-8+,20-10+,21-11-/t22-,23+,24+,25-,28+/m1/s1
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(C)C
InChI: InChI=1S/C37H62N4O6SSi2/c1-23(2)26-17-27(24(3)4)33(28(18-26)25(5)6)48(42,43)46-35-32-34(38-21-39-35)41(22-40-32)31-19-29(47-50(15,16)37(10,11)12)30(45-31)20-44-49(13,14)36(7,8)9/h17-18,21-25,29-31H,19-20H2,1-16H3/t29-,30+,31+/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H](CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C([C@@H]2C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C24H27NO4S/c1-16-9-11-20(12-10-16)30(27,28)25-15-19-14-22(18-7-5-4-6-8-18)23(24(26)29-3)21(19)13-17(25)2/h4-12,14,17,19,21,23H,13,15H2,1-3H3/t17-,19+,21-,23+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H15Cl2NO4/c18-13-6-5-10(7-14(13)19)9-24-15(21)8-20-16(22)11-3-1-2-4-12(11)17(20)23/h1-2,5-7,11-12H,3-4,8-9H2/t11-,12+
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCCC2=CC=CC=C2)CO)O)O)O
InChI: InChI=1S/C18H29NO4/c20-13-15-17(22)18(23)16(21)12-19(15)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,15-18,20-23H,1-2,4,7-8,11-13H2/t15-,16+,17-,18-/m1/s1
SMILES: CCCC1CCNC(C1)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)C
InChI: InChI=1S/C19H37N2O8PS/c1-5-6-11-7-8-20-12(9-11)18(24)21-13(10(2)3)16-14(22)15(23)17(19(28-16)31-4)29-30(25,26)27/h10-17,19-20,22-23H,5-9H2,1-4H3,(H,21,24)(H2,25,26,27)/t11?,12?,13?,14-,15+,16-,17-,19-/m1/s1
SMILES: CC(C)[C@@H]1C[C@H](N([C@@H]1C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)C(=O)/C=C/C(=O)OC
InChI: InChI=1S/C24H33NO6/c1-15(2)18-14-19(20(26)12-13-21(27)30-7)25(23(28)31-24(3,4)5)22(18)16-8-10-17(29-6)11-9-16/h8-13,15,18-19,22H,14H2,1-7H3/b13-12+/t18-,19-,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)SCCCCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H32O11S/c1-12(22)28-11-16-18(29-13(2)23)19(30-14(3)24)20(31-15(4)25)21(32-16)33-10-8-6-7-9-17(26)27-5/h16,18-21H,6-11H2,1-5H3/t16-,18-,19+,20+,21+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC5CO5)C
InChI: InChI=1S/C18H28O6/c1-10-4-5-14-11(2)15(20-9-12-8-19-12)21-16-18(14)13(10)6-7-17(3,22-16)23-24-18/h10-16H,4-9H2,1-3H3/t10-,11-,12?,13+,14+,15+,16-,17-,18-/m1/s1
SMILES: CCOC1=CC(=C(C=C1)N[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C14H20N2O8/c1-2-23-7-3-4-8(9(5-7)16(21)22)15-14-13(20)12(19)11(18)10(6-17)24-14/h3-5,10-15,17-20H,2,6H2,1H3/t10-,11-,12+,13+,14-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCC(O2)[C@H](COC(=O)C3=C(C=C(C=C3)Cl)Cl)I
InChI: InChI=1S/C18H21Cl2IO3/c19-12-6-7-13(14(20)9-12)18(22)23-10-15(21)17-8-5-11-3-1-2-4-16(11)24-17/h6-7,9,11,15-17H,1-5,8,10H2/t11-,15-,16+,17?/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=C(C=CC=C3C)C
InChI: InChI=1S/C20H25N3O4/c1-12-7-4-5-10-15(12)23-19(26)18(25)22(20(23)27)11-16(24)21-17-13(2)8-6-9-14(17)3/h6,8-9,12,15H,4-5,7,10-11H2,1-3H3,(H,21,24)/t12-,15+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)C7=CC(=CC=C7)[N+](=O)[O-])C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C36H27ClFN3O8/c1-36-26(33(44)40(35(36)46)20-5-9-28(38)27(37)14-20)15-25-23(31(36)18-11-17-12-22(42)6-10-29(17)49-16-18)7-8-24-30(25)34(45)39(32(24)43)19-3-2-4-21(13-19)41(47)48/h2-7,9-10,12-14,16,24-26,30-31,42H,8,11,15H2,1H3/t24-,25+,26-,30-,31-,36+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NC2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C16H22F2N2OS/c1-10-4-3-5-14(11(10)2)20-16(22)19-12-6-8-13(9-7-12)21-15(17)18/h6-11,14-15H,3-5H2,1-2H3,(H2,19,20,22)/t10-,11+,14+/m0/s1
SMILES: C1[C@H]([C@H]([C@H](O[C@@H]1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C34H28O9/c35-31(23-13-5-1-6-14-23)39-22-28-30(43-34(38)26-19-11-4-12-20-26)27(41-32(36)24-15-7-2-8-16-24)21-29(40-28)42-33(37)25-17-9-3-10-18-25/h1-20,27-30H,21-22H2/t27-,28-,29-,30-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C21H27ClN4O3/c1-15-5-2-3-8-18(15)26-20(28)19(27)25(21(26)29)14-23-9-11-24(12-10-23)17-7-4-6-16(22)13-17/h4,6-7,13,15,18H,2-3,5,8-12,14H2,1H3/t15-,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C
InChI: InChI=1S/C26H32O3/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/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
SMILES: CCCCC/C=C/C=C/C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)COC(=O)C)O)O)C
InChI: InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@@H]([C@H]([C@@H](O6)OCC)CCCO)C7=CC=CC=C7)OC)OC)OC)OC
InChI: InChI=1S/C46H60N2O8/c1-7-29-28-47-18-16-31-23-40(51-3)42(53-5)26-36(31)38(47)21-33(29)22-39-37-27-43(54-6)41(52-4)24-32(37)17-19-48(39)45(50)44-25-35(30-13-10-9-11-14-30)34(15-12-20-49)46(56-44)55-8-2/h9-11,13-14,23-27,29,33-35,38-39,46,49H,7-8,12,15-22,28H2,1-6H3/t29-,33+,34+,35+,38-,39+,46+/m0/s1
SMILES: CC1=CC[C@H]([C@@H]([C@@H]1CC=C(C)C)C(=O)C2=C(C=C(C=C2OC)O)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C26H30O5/c1-15(2)5-11-20-16(3)6-12-21(17-7-9-18(27)10-8-17)24(20)26(30)25-22(29)13-19(28)14-23(25)31-4/h5-10,13-14,20-21,24,27-29H,11-12H2,1-4H3/t20-,21+,24-/m1/s1
SMILES: C[C@@]12[C@@H]([C@@]1(C(=O)OC)Br)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C14H10BrCl2NO4/c1-13-9(14(13,15)12(21)22-2)10(19)18(11(13)20)6-3-4-7(16)8(17)5-6/h3-5,9H,1-2H3/t9-,13-,14-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC[C@H](C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])F
InChI: InChI=1S/C34H30FN5O13S/c1-19(35)29-27-14-28(30(37(27)31(29)41)33(43)52-16-21-4-10-24(11-5-21)39(47)48)54-18-26(32(42)51-15-20-2-8-23(9-3-20)38(45)46)36-34(44)53-17-22-6-12-25(13-7-22)40(49)50/h2-13,19,26-27,29H,14-18H2,1H3,(H,36,44)/t19-,26-,27-,29-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=C(C(=CC=C4)Cl)C
InChI: InChI=1S/C23H23ClN2O3/c1-13-9-10-17-18(11-13)23(29)26(22(17)28)16-6-3-5-15(12-16)21(27)25-20-8-4-7-19(24)14(20)2/h3-8,12-13,17-18H,9-11H2,1-2H3,(H,25,27)/t13-,17-,18+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)[C@@H]3[C@H](N(C(=O)O3)C)C(=O)OC)C
InChI: InChI=1S/C14H21NO8/c1-14(2)22-9-8(20-12(19-5)10(9)23-14)7-6(11(16)18-4)15(3)13(17)21-7/h6-10,12H,1-5H3/t6-,7-,8+,9+,10+,12+/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4)O
InChI: InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1
SMILES: C[C@H]([C@]1(CN(C[C@@H]1C2=CC(=C(C=C2)OC)OC3CC4=CC=CC=C4C3)C(=O)OC)C)O
InChI: InChI=1S/C25H31NO5/c1-16(27)25(2)15-26(24(28)30-4)14-21(25)19-9-10-22(29-3)23(13-19)31-20-11-17-7-5-6-8-18(17)12-20/h5-10,13,16,20-21,27H,11-12,14-15H2,1-4H3/t16-,21-,25-/m1/s1
SMILES: CCN1CCN(CC1)C2=N[C@@H]([C@@H](C(=O)N2)C(=O)OCC)C3=CC=CO3
InChI: InChI=1S/C17H24N4O4/c1-3-20-7-9-21(10-8-20)17-18-14(12-6-5-11-25-12)13(15(22)19-17)16(23)24-4-2/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,19,22)/t13-,14+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C17H25N3O3S/c1-11-6-4-5-7-13(11)18-17(24)20-19-16(21)12-8-9-14(22-2)15(10-12)23-3/h8-11,13H,4-7H2,1-3H3,(H,19,21)(H2,18,20,24)/t11-,13+/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H19ClN2O2/c1-10-2-7-13-14(8-10)16(21)19(15(13)20)9-18-12-5-3-11(17)4-6-12/h3-6,10,13-14,18H,2,7-9H2,1H3/t10-,13-,14+/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)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSCCO
InChI: InChI=1S/C39H48N2O5S/c1-25-35(24-47-14-13-42)45-37(46-36(25)32-7-5-26(23-43)6-8-32)33-11-9-31(10-12-33)34-4-2-3-27(18-34)22-40-38(44)41-39-19-28-15-29(20-39)17-30(16-28)21-39/h2-12,18,25,28-30,35-37,42-43H,13-17,19-24H2,1H3,(H2,40,41,44)/t25-,28?,29?,30?,35+,36+,37+,39?/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CN(CC1=CC(=C(C=C1)OC)OC)[C@@H]2CCCC[C@H]2NCC3=CC(=C(C=C3)OC)OC)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI: InChI=1S/C69H106N2O4/c1-53(2)25-17-26-54(3)27-18-28-55(4)29-19-30-56(5)31-20-32-57(6)33-21-34-58(7)35-22-36-59(8)37-23-38-60(9)39-24-40-61(10)47-48-71(52-63-44-46-67(73-12)69(50-63)75-14)65-42-16-15-41-64(65)70-51-62-43-45-66(72-11)68(49-62)74-13/h25,27,29,31,33,35,37,39,43-47,49-50,64-65,70H,15-24,26,28,30,32,34,36,38,40-42,48,51-52H2,1-14H3/b54-27+,55-29+,56-31-,57-33-,58-35-,59-37-,60-39-,61-47-/t64-,65-/m1/s1
SMILES: CC(C)([C@@H](/C=C/[C@@H]1[C@H]2CCC(=C[C@H]2C[C@H]1O)CCOCC(=O)O)O)OC3=CC=CC=C3
InChI: InChI=1S/C25H34O6/c1-25(2,31-19-6-4-3-5-7-19)23(27)11-10-21-20-9-8-17(12-13-30-16-24(28)29)14-18(20)15-22(21)26/h3-7,10-11,14,18,20-23,26-27H,8-9,12-13,15-16H2,1-2H3,(H,28,29)/b11-10+/t18-,20-,21+,22+,23+/m0/s1
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CO[C@H](CO)[C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C14H21N3O12/c18-3-6(27-5-16-2-1-15-14(16)17(25)26)7(4-19)28-13-10(22)8(20)9(21)11(29-13)12(23)24/h1-2,6-11,13,18-22H,3-5H2,(H,23,24)/t6-,7+,8+,9+,10-,11+,13-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@H]4[C@@](C2(C)C)(CC1)OC(=O)O4)(CO)O)O)OCC5=CC=CC=C5)C)OC(=O)C
InChI: InChI=1S/C30H38O10/c1-16-11-12-30-25(39-26(35)40-30)23-28(5,24(34)22(38-17(2)32)21(16)27(30,3)4)20(13-19(33)29(23,36)15-31)37-14-18-9-7-6-8-10-18/h6-10,19-20,22-23,25,31,33,36H,11-15H2,1-5H3/t19-,20-,22+,23-,25-,28+,29-,30+/m0/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+/m0/s1
SMILES: CCOC(=O)C1(C[C@H]([C@@](C1)(C)O)C(=C)C2=CC=CS2)C(=O)OCC
InChI: InChI=1S/C18H24O5S/c1-5-22-15(19)18(16(20)23-6-2)10-13(17(4,21)11-18)12(3)14-8-7-9-24-14/h7-9,13,21H,3,5-6,10-11H2,1-2,4H3/t13-,17-/m0/s1
SMILES: CC(=O)OC[C@]1([C@@H](CC[C@@]2([C@@H]1C[C@H]3[C@]45[C@H]2CC[C@](C4)(C(=C)[C@@H]5OC(O3)(C)C)O)C)O)C
InChI: InChI=1S/C25H38O6/c1-14-20-25-12-24(14,28)10-7-16(25)22(5)9-8-18(27)23(6,13-29-15(2)26)17(22)11-19(25)30-21(3,4)31-20/h16-20,27-28H,1,7-13H2,2-6H3/t16-,17-,18+,19-,20-,22-,23+,24-,25+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CC2CO2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H47N3O9SSi2/c1-17-12-30(24(32)29(22(17)31)13-18-14-35-18)23-21(38-42(10,11)26(5,6)7)27(19(28)16-40(33,34)39-27)20(37-23)15-36-41(8,9)25(2,3)4/h12,16,18,20-21,23H,13-15,28H2,1-11H3/t18?,20-,21+,23-,27?/m1/s1
SMILES: CC1(O[C@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O1)OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4)O)C
InChI: InChI=1S/C23H24O8/c1-23(2)30-19-16(25)17(28-21(26)13-9-5-3-6-10-13)15(24)18(20(19)31-23)29-22(27)14-11-7-4-8-12-14/h3-12,15-20,24-25H,1-2H3/t15-,16+,17-,18+,19+,20-/m1/s1
SMILES: CC1=CC[C@H]([C@@H](C1)C#CO[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)O[Si](C)(C)C
InChI: InChI=1S/C24H46O2Si2/c1-18(2)28(19(3)4,20(5)6)25-16-15-22-17-21(7)13-14-23(22)24(8,9)26-27(10,11)12/h13,18-20,22-23H,14,17H2,1-12H3/t22-,23-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@@H]([C@@H]([C@@H]1O)O)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C9H12Cl3NO5/c1-18-7(16)3-2-4(6(15)5(3)14)13-8(17)9(10,11)12/h3-6,14-15H,2H2,1H3,(H,13,17)/t3-,4+,5-,6+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@]4([C@H]3C[C@@H](C5=COC=C54)O)C)O)C)(C)C
InChI: InChI=1S/C25H38O3/c1-22(2)8-6-9-23(3)18(22)7-10-24(4)19(23)12-21(27)25(5)16-14-28-13-15(16)17(26)11-20(24)25/h13-14,17-21,26-27H,6-12H2,1-5H3/t17-,18-,19+,20-,21+,23-,24+,25+/m0/s1
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)C(C5[C@@]4(O5)CO)O)O)O)O
InChI: InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17?,18-,19+,20-,21?,22+,23+,24-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CCCC=C)C#C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H31NO2Si/c1-9-11-12-13-19-15(10-2)16(17(19)20)14(3)21-22(7,8)18(4,5)6/h2,9,14-16H,1,11-13H2,3-8H3/t14-,15-,16-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCC6=CC=C(C=C6)OC
InChI: InChI=1S/C45H67NO6/c1-28(2)31-17-23-45(38(48)46-26-20-29-11-13-30(51-10)14-12-29)25-24-43(8)32(37(31)45)15-16-34-42(7)21-19-35(52-36(47)27-40(3,4)39(49)50)41(5,6)33(42)18-22-44(34,43)9/h11-14,31-35,37H,1,15-27H2,2-10H3,(H,46,48)(H,49,50)/t31-,32+,33-,34+,35-,37+,42-,43+,44+,45-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC
InChI: InChI=1S/C22H26O7/c1-25-18-9-13(5-6-17(18)23)8-16-15(12-29-22(16)24)7-14-10-19(26-2)21(28-4)20(11-14)27-3/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3/t15-,16+/m0/s1
SMILES: CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C21H26N2O3S/c1-21(2,3)12-8-9-13-16(11-22)19(27-17(13)10-12)23-18(24)14-6-4-5-7-15(14)20(25)26/h4-5,12,14-15H,6-10H2,1-3H3,(H,23,24)(H,25,26)/p-1/t12-,14-,15-/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6OC)O)OC)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C43H35ClF3N3O7/c1-49(39-30(44)16-17-33(48-39)43(45,46)47)50-40(54)26-15-14-25-28(35(26)41(50)55)20-29-38(53)27(22-10-6-4-7-11-22)21-34(52)42(29,23-12-8-5-9-13-23)37(25)36-31(56-2)18-24(51)19-32(36)57-3/h4-14,16-19,21,26,28-29,35,37,51H,15,20H2,1-3H3/t26-,28+,29-,35-,37+,42-/m0/s1
SMILES: C[C@H]1C=C[C@H](C[C@H]1CC[C@@H]2C[C@@H](OC(O2)(C)C)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C33H48O4Si/c1-25-17-19-27(34)23-26(25)18-20-28-24-29(37-33(5,6)36-28)21-22-35-38(32(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-17,19,25-29,34H,18,20-24H2,1-6H3/t25-,26+,27+,28+,29-/m0/s1
SMILES: C1[C@H]([NH2+][C@@H]([C@@H](C1=NO)CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2/p+1/t21-,22+,24-/m1/s1
SMILES: C1C[C@]2([C@H]([C@@H]([C@@H]1N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H23N/c1-4-10-18(11-5-1)22-21-16-17-24(25-21,20-14-8-3-9-15-20)23(22)19-12-6-2-7-13-19/h1-15,21-23,25H,16-17H2/t21-,22-,23+,24-/m1/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)CO)O)N6CCOCC6C#N)O.O
InChI: InChI=1S/C32H34N2O12.H2O/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40;/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3;1H2/t14-,15?,18-,20-,22-,27+,32-;/m0./s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H17BrClNO/c1-23-16-10-9-15(21)17-13-3-2-4-14(13)18(22-19(16)17)11-5-7-12(20)8-6-11/h2-3,5-10,13-14,18,22H,4H2,1H3/t13-,14+,18+/m1/s1
SMILES: C[Si](C)(C)[18O][C@@]1(C[C@H]2C[C@@H]3C[C@H](C2)[C@@H]1C3)C#N
InChI: InChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)8-11-4-10-5-12(6-11)13(14)7-10/h10-13H,4-8H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1/i16+2
SMILES: CCOC(=O)[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(C)C
InChI: InChI=1S/C21H29N3O4/c1-7-28-20(27)21(12(2)3)16-15(18(25)24(6)19(16)26)17(22-21)13-8-10-14(11-9-13)23(4)5/h8-12,15-17,22H,7H2,1-6H3/p+1/t15-,16-,17-,21+/m0/s1
SMILES: C[C@@]12CCC[C@H]1C3=C(CC2)C4=C(C=C3)C(=C(C=C4)O)C5=C(C=CC6=C5C=CC7=C6CC[C@]8([C@H]7CCC8)C)O
InChI: InChI=1S/C36H38O2/c1-35-17-3-5-29(35)25-7-9-27-21(23(25)15-19-35)11-13-31(37)33(27)34-28-10-8-26-24(22(28)12-14-32(34)38)16-20-36(2)18-4-6-30(26)36/h7-14,29-30,37-38H,3-6,15-20H2,1-2H3/t29-,30-,35-,36-/m0/s1
SMILES: CSC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI: InChI=1S/C11H14N8O2S/c1-22-10-8-9(15-11(12)16-10)19(4-14-8)7-2-5(17-18-13)6(3-20)21-7/h4-7,20H,2-3H2,1H3,(H2,12,15,16)/t5-,6+,7+/m0/s1
SMILES: COCCN=C(NC#N)N[C@@H]1CCCC[C@H]1CN2CCC[C@H](C2)CC3=CC=C(C=C3)F
InChI: InChI=1S/C24H36FN5O/c1-31-14-12-27-24(28-18-26)29-23-7-3-2-6-21(23)17-30-13-4-5-20(16-30)15-19-8-10-22(25)11-9-19/h8-11,20-21,23H,2-7,12-17H2,1H3,(H2,27,28,29)/t20-,21-,23+/m0/s1
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=C(C=C3)C[C@@H]4CN(C[C@@H]4C(=O)O)C(=O)OC5=CC=CC=C5
InChI: InChI=1S/C30H28N2O6/c1-20-27(31-28(37-20)22-8-4-2-5-9-22)19-36-24-14-12-21(13-15-24)16-23-17-32(18-26(23)29(33)34)30(35)38-25-10-6-3-7-11-25/h2-15,23,26H,16-19H2,1H3,(H,33,34)/t23-,26+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H](C3=C1NC4=CC=CC=C43)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C21H18N2O2/c1-12-11-15-18(17-14-9-5-6-10-16(14)22-19(12)17)21(25)23(20(15)24)13-7-3-2-4-8-13/h2-10,12,15,18,22H,11H2,1H3/t12-,15+,18+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O[C@H]([C@]2(O1)CO)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C=C)C
InChI: InChI=1S/C26H34O5Si/c1-7-21-22-26(18-27,31-25(5,6)29-22)23(28-21)30-32(24(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-17,21-23,27H,1,18H2,2-6H3/t21-,22-,23-,26-/m0/s1
SMILES: COC[C@H]1[C@@H](OC(=O)CCC=CC[C@@H](C(=O)N1)CC(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)CO)C4=CC=CC=C4
InChI: InChI=1S/C36H42N2O7/c1-43-25-32-35(28-13-7-3-8-14-28)45-34(41)16-10-4-9-15-29(36(42)38-32)22-33(40)37-30(23-39)21-26-17-19-31(20-18-26)44-24-27-11-5-2-6-12-27/h2-9,11-14,17-20,29-30,32,35,39H,10,15-16,21-25H2,1H3,(H,37,40)(H,38,42)/t29-,30+,32+,35+/m1/s1
SMILES: CCO[C@H]1[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1CC4=CC=CC=C4)C=C3
InChI: InChI=1S/C18H21NO2/c1-2-21-18-16-14-9-8-13(10-14)15(16)17(20)19(18)11-12-6-4-3-5-7-12/h3-9,13-16,18H,2,10-11H2,1H3/t13-,14+,15-,16+,18-/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCC4=CC=C(C=C4)C(=O)OC)C
InChI: InChI=1S/C40H61F2N5O8S/c1-37(2,3)31(45-36(52)46-40(18-11-10-12-19-40)23-56(53,54)38(4,5)6)34(50)47-22-26-29(39(26,7)8)30(47)33(49)44-27(21-28(41)42)32(48)43-20-17-24-13-15-25(16-14-24)35(51)55-9/h13-16,26-31H,10-12,17-23H2,1-9H3,(H,43,48)(H,44,49)(H2,45,46,52)/t26-,27-,29-,30-,31+/m0/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]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI: InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C19H28N2O5S/c1-13-7-9-16(10-8-13)27(24,25)20-11-19(23)26-12-18(22)21-17-6-4-5-14(2)15(17)3/h7-10,14-15,17,20H,4-6,11-12H2,1-3H3,(H,21,22)/t14-,15+,17+/m1/s1
SMILES: C[N+]1(C[C@H]2[C@H](/[N+](=C(/N)\SC)/N=C2/C(=C/C3=CC=CC=C3)/C1)C4=CC=CC=C4)C.[I-].[I-]
InChI: InChI=1S/C23H27N4S.2HI/c1-27(2)15-19(14-17-10-6-4-7-11-17)21-20(16-27)22(18-12-8-5-9-13-18)26(25-21)23(24)28-3;;/h4-14,20,22,24H,15-16H2,1-3H3;2*1H/q+1;;/p-1/b19-14+;;/t20-,22-;;/m1../s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C=C(C=C3)C4C5COC(C5CO4)C6=CC(=C(C=C6)O)OC)OC)CO)O)O)O)O)O
InChI: InChI=1S/C32H42O15/c1-13-23(35)25(37)27(39)31(44-13)47-30-26(38)24(36)22(10-33)46-32(30)45-19-7-5-15(9-21(19)41-3)29-17-12-42-28(16(17)11-43-29)14-4-6-18(34)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16?,17?,22+,23-,24+,25+,26-,27+,28?,29?,30+,31-,32+/m0/s1
SMILES: C1[C@@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)CO)N=[N+]=[N-]
InChI: InChI=1S/C9H11N5O4/c10-13-12-5-3-8(18-6(5)4-15)14-2-1-7(16)11-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,11,16,17)/t5-,6-,8-/m0/s1
SMILES: CCO[C@@H]1C=C[C@@H]([C@H](O1)COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C22H26O8S2/c1-4-27-22-14-13-20(30-32(25,26)19-11-7-17(3)8-12-19)21(29-22)15-28-31(23,24)18-9-5-16(2)6-10-18/h5-14,20-22H,4,15H2,1-3H3/t20-,21+,22-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=O)CC(C3=O)CC(=O)O)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C
InChI: InChI=1S/C29H38N2O6S/c1-27(2)21-8-10-29(27,23(17-21)31-24(32)15-20(26(31)35)16-25(33)34)18-38(36,37)30-13-11-28(12-14-30)9-7-19-5-3-4-6-22(19)28/h3-6,20-21,23H,7-18H2,1-2H3,(H,33,34)/t20?,21-,23+,29-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C46H58FN3O9S/c1-5-23-50(60(54,55)36-20-17-34(18-21-36)48-31(3)53)43-29-41(49-56-4)38-27-32(13-9-11-24-51)37(15-10-12-25-52)44-39-28-35(57-30-33-14-7-8-16-40(33)47)19-22-42(39)59-46(43,45(38)44)58-26-6-2/h6-8,14,16-22,27-28,32,37,43-45,51-52H,2,5,9-13,15,23-26,29-30H2,1,3-4H3,(H,48,53)/t32-,37+,43-,44+,45+,46+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C
InChI: InChI=1S/C14H24N2O9/c1-5(9(13(22)23)15-6(2)18)24-14-10(16-7(3)19)12(21)11(20)8(4-17)25-14/h5,8-12,14,17,20-21H,4H2,1-3H3,(H,15,18)(H,16,19)(H,22,23)/t5-,8-,9+,10-,11+,12-,14+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)NCC(=O)O)O)O)O)N
InChI: InChI=1S/C14H20N7O9P/c15-12-9-13(18-4-17-12)21(5-19-9)14-11(26)10(25)6(30-14)3-29-31(27,28)20-1-7(22)16-2-8(23)24/h4-6,10-11,14,25-26H,1-3H2,(H,16,22)(H,23,24)(H2,15,17,18)(H2,20,27,28)/t6-,10-,11-,14-/m1/s1
SMILES: CC1=C(C(=O)[C@@]([C@@H](C1=NS(=O)(=O)C2=CC=CC=C2)Cl)(C(C)C)Cl)Cl
InChI: InChI=1S/C16H16Cl3NO3S/c1-9(2)16(19)14(18)13(10(3)12(17)15(16)21)20-24(22,23)11-7-5-4-6-8-11/h4-9,14H,1-3H3/t14-,16+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)CSC4=NC(=CC(=N4)C)C
InChI: InChI=1S/C25H32N6OS2/c1-16-9-11-20(12-10-16)31-22(14-33-24-26-18(3)13-19(4)27-24)29-30-25(31)34-15-23(32)28-21-8-6-5-7-17(21)2/h9-13,17,21H,5-8,14-15H2,1-4H3,(H,28,32)/t17-,21+/m0/s1
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@@H](CC4)OC(C)C)C
InChI: InChI=1S/C27H40O4/c1-16(2)30-20-8-11-25(6)22-9-12-26(7)23(21(22)14-17(3)24(25)15-20)10-13-27(26,18(4)28)31-19(5)29/h14-16,20-23H,8-13H2,1-7H3/t20-,21-,22+,23-,25-,26+,27+/m1/s1
SMILES: C[C@@H]1C[C@@]2([C@@H](N1O)CCC3=[N+](ON=C32)[O-])O
InChI: InChI=1S/C9H13N3O4/c1-5-4-9(13)7(11(5)14)3-2-6-8(9)10-16-12(6)15/h5,7,13-14H,2-4H2,1H3/t5-,7+,9+/m1/s1
SMILES: CC(=O)OC1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C
InChI: InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19?,20+/m1/s1
SMILES: CC(C)(C)O[C@@H]1CN2[C@@H]([C@H]1OC(C)(C)C)[C@H]3[C@@H](O2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CNC3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76
InChI: InChI=1S/C45H56N6O7/c1-44(2,3)56-35-26-51-37(38(35)57-45(4,5)6)36-39(58-51)43(55)50-34(23-29-24-46-32-20-14-13-19-31(29)32)41(53)49-33(22-28-17-11-8-12-18-28)40(52)48-30(25-47-42(36)54)21-27-15-9-7-10-16-27/h7-20,24,30,33-39,46H,21-23,25-26H2,1-6H3,(H,47,54)(H,48,52)(H,49,53)(H,50,55)/t30-,33+,34+,35-,36+,37-,38+,39-/m1/s1
SMILES: C1[C@@H]([C@H]1C2(C(=O)NC(=O)N2)CCC3=CC(=CC=C3)Cl)C(=O)O
InChI: InChI=1S/C15H15ClN2O4/c16-9-3-1-2-8(6-9)4-5-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-3,6,10-11H,4-5,7H2,(H,19,20)(H2,17,18,21,22)/t10-,11-,15?/m0/s1
SMILES: CC1=C([C@H](CC1)OC)[C@]2(C=C([C@H]3CC[C@@]2(C3=C)C)C)O
InChI: InChI=1S/C18H26O2/c1-11-6-7-15(20-5)16(11)18(19)10-12(2)14-8-9-17(18,4)13(14)3/h10,14-15,19H,3,6-9H2,1-2,4-5H3/t14-,15+,17-,18+/m1/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)N([C@H]2CCN(C[C@H]2C)/C=C/C)C3=CC=CC=C3
InChI: InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,18,21,25H,6-7,17,19-20H2,1-4H3/b18-5+/t21-,25+/m1/s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NCCC3=CC=CC=C3)O)O)N4C=CC(=O)NC4=O)O
InChI: InChI=1S/C25H30N4O11/c1-37-18-17(33)23(29-10-8-15(31)28-25(29)36)39-19(18)20(21(26)34)40-24-16(32)13(30)11-14(38-24)22(35)27-9-7-12-5-3-2-4-6-12/h2-6,8,10-11,13,16-20,23-24,30,32-33H,7,9H2,1H3,(H2,26,34)(H,27,35)(H,28,31,36)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1