EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)N)[18F])CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H24FNO4S/c1-18-7-6-13-12-5-3-11(21)8-10(12)2-4-14(13)15(18)9-16(19)17(18)24-25(20,22)23/h3,5,8,13-17,21H,2,4,6-7,9H2,1H3,(H2,20,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1/i19-1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=C[C@@H]3C=CC=C[C@@H]3OC2=O)C
InChI: InChI=1S/C18H17NO3/c1-11-6-5-8-15(12(11)2)19-17(20)14-10-13-7-3-4-9-16(13)22-18(14)21/h3-10,13,16H,1-2H3,(H,19,20)/t13-,16-/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@@H]([C@@H](C2=CC(=C(C=C2)OC(=O)C)OC)OC(=O)C)OC3=CC=CC=C3OC
InChI: InChI=1S/C32H38O15/c1-17(33)42-25-13-12-22(14-26(25)39-7)29(44-19(3)35)27(47-24-11-9-8-10-23(24)38-6)15-40-32-31(46-21(5)37)30(45-20(4)36)28(16-41-32)43-18(2)34/h8-14,27-32H,15-16H2,1-7H3/t27-,28+,29+,30-,31+,32+/m0/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)OC(C)C(=O)C)C
InChI: InChI=1S/C19H30O6/c1-10-6-7-15-11(2)16(21-13(4)12(3)20)22-17-19(15)14(10)8-9-18(5,23-17)24-25-19/h10-11,13-17H,6-9H2,1-5H3/t10-,11-,13?,14+,15+,16+,17-,18-,19-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H](C(=C)C(=O)C3=CC4=C(C=C23)OCO4)C(=O)OC
InChI: InChI=1S/C23H22O8/c1-11-19(23(25)29-5)20(12-6-17(26-2)22(28-4)18(7-12)27-3)13-8-15-16(31-10-30-15)9-14(13)21(11)24/h6-9,19-20H,1,10H2,2-5H3/t19-,20+/m0/s1
SMILES: [3H]C1[C@H]2[C@H]3CC4=C5[C@@]2(CCN3C)[C@H]([C@H](C1[3H])O[Si](C)(C)C(C)(C)C)OC5=C(C=C4[3H])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H49NO3Si2/c1-27(2,3)34(8,9)32-22-14-12-19-18-21-20-13-15-23(33-35(10,11)28(4,5)6)26-29(20,16-17-30(21)7)24(19)25(22)31-26/h12,14,20-21,23,26H,13,15-18H2,1-11H3/t20-,21+,23-,26-,29-/m0/s1/i12T,13T,15T/t13?,15?,20-,21+,23-,26-,29-
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/C(C(C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)(O)O)C
InChI: InChI=1S/C41H67NO16/c1-11-29(44)55-28-21-31(46)52-24(4)16-14-13-15-18-41(49,50)23(3)20-27(17-19-43)36(37(28)51-10)58-39-34(47)33(42(8)9)35(25(5)54-39)57-32-22-40(7,48)38(26(6)53-32)56-30(45)12-2/h13-15,18-19,23-28,32-39,47-50H,11-12,16-17,20-22H2,1-10H3/b14-13+,18-15+/t23?,24-,25-,26+,27+,28-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC(=O)NC3CCCC3
InChI: InChI=1S/C16H23N3O4/c20-13(18-16(23)17-10-5-1-2-6-10)9-19-14(21)11-7-3-4-8-12(11)15(19)22/h10-12H,1-9H2,(H2,17,18,20,23)/t11-,12+
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CNC(=O)CNC(=O)C3=CC=CS3
InChI: InChI=1S/C18H25N3O3S/c22-16(10-20-18(24)15-6-3-9-25-15)19-11-17(23)21-8-7-13-4-1-2-5-14(13)12-21/h3,6,9,13-14H,1-2,4-5,7-8,10-12H2,(H,19,22)(H,20,24)/t13-,14-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)[NH2+]CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C
InChI: InChI=1S/C24H29N3OS/c1-15-7-12-21-22(13-15)29-24(27-21)18-8-10-19(11-9-18)26-23(28)14-25-20-6-4-5-16(2)17(20)3/h7-13,16-17,20,25H,4-6,14H2,1-3H3,(H,26,28)/p+1/t16-,17+,20+/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)C)C5=CC=CC(=C5O)CC=C)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C
InChI: InChI=1S/C41H40N4O5/c1-6-8-24-9-7-10-31(37(24)47)36-29-19-20-30-35(32(29)22-33-34(46)21-23(2)38(48)41(33,36)3)40(50)45(39(30)49)28-17-13-26(14-18-28)43-42-25-11-15-27(16-12-25)44(4)5/h6-7,9-19,21,30,32-33,35-36,47H,1,8,20,22H2,2-5H3/t30-,32+,33-,35-,36+,41+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)O
InChI: InChI=1S/C31H26BrNO7/c1-40-25-9-4-16(12-23(25)35)26-18-7-8-19-27(20(18)13-21-28(26)24(36)14-22(32)29(21)37)31(39)33(30(19)38)11-10-15-2-5-17(34)6-3-15/h2-7,9,12,14,19-20,26-27,34-35H,8,10-11,13H2,1H3/t19-,20+,26-,27-/m0/s1
SMILES: CC(=C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)Br)C
InChI: InChI=1S/C18H16BrNO2/c1-9(2)14-12-6-7-13(14)16-15(12)17(21)20(18(16)22)11-5-3-4-10(19)8-11/h3-8,12-13,15-16H,1-2H3/t12-,13+,15+,16-
SMILES: CCC[C@H]1[C@@H]2CCC3=C([C@H]2CC[C@]1(C)C=NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])C=CC(=C3)OC
InChI: InChI=1S/C26H31ClN2O3/c1-4-5-23-22-9-6-17-14-19(32-3)8-10-20(17)21(22)12-13-26(23,2)16-28-18-7-11-24(27)25(15-18)29(30)31/h7-8,10-11,14-16,21-23H,4-6,9,12-13H2,1-3H3/t21-,22-,23+,26-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=C(C=C4)C#N)C
InChI: InChI=1S/C20H25NO6/c1-19(2)23-11-14(25-19)15-16(17-18(24-15)27-20(3,4)26-17)22-10-13-7-5-12(9-21)6-8-13/h5-8,14-18H,10-11H2,1-4H3/t14-,15-,16+,17-,18-/m1/s1
SMILES: C[C@]12C[C@H](C[C@H]([C@H]1OC)N(C)CC(=O)O)N3C4=CC=CC=C4C5=C3C6=C(C7=C5CNC7)C8=CC=CC=C8N26
InChI: InChI=1S/C31H32N4O3/c1-31-13-17(12-24(30(31)38-3)33(2)16-25(36)37)34-22-10-6-4-8-18(22)26-20-14-32-15-21(20)27-19-9-5-7-11-23(19)35(31)29(27)28(26)34/h4-11,17,24,30,32H,12-16H2,1-3H3,(H,36,37)/t17-,24+,30+,31-/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C18H18N2O4S/c1-24-12-8-6-11(7-9-12)15-10-25-18(19-15)20-16(21)13-4-2-3-5-14(13)17(22)23/h2-3,6-10,13-14H,4-5H2,1H3,(H,22,23)(H,19,20,21)/p-1/t13-,14-/m1/s1
SMILES: CC(=O)OCC1([C@@]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C)(C#C)OC(=O)C)COC(=O)C
InChI: InChI=1S/C20H22N2O11/c1-6-20(32-14(5)26)16(31-13(4)25)17(22-8-7-15(27)21-18(22)28)33-19(20,9-29-11(2)23)10-30-12(3)24/h1,7-8,16-17H,9-10H2,2-5H3,(H,21,27,28)/t16-,17+,20-/m0/s1
SMILES: C[C@]12CCC(=O)N[C@@H]1CCC3=C4CC[C@@H]([C@]4(CC[C@H]23)C)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H31NO2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(27)26-21)18(24)9-10-20(24)23(28)16-6-4-3-5-7-16/h3-7,19-21H,8-15H2,1-2H3,(H,26,27)/t19-,20+,21+,24-,25+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)C(C)C
InChI: InChI=1S/C22H30O6/c1-6-27-20(24)18-16(23)12-22(5,26)19(21(25)28-7-2)17(18)15-10-8-14(9-11-15)13(3)4/h8-11,13,17-19,26H,6-7,12H2,1-5H3/t17-,18-,19-,22+/m1/s1
SMILES: CO[C@H]1C/C=C/CCCOC(=O)C2=CC=C(C=C2)[C@H]3OC[C@H]1O3
InChI: InChI=1S/C18H22O5/c1-20-15-6-4-2-3-5-11-21-17(19)13-7-9-14(10-8-13)18-22-12-16(15)23-18/h2,4,7-10,15-16,18H,3,5-6,11-12H2,1H3/b4-2+/t15-,16+,18-/m0/s1
SMILES: CC(=O)NC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C)C
InChI: InChI=1S/C22H29NO3/c1-13(24)23-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)25/h5,7,12,18-21H,4,6,8-11H2,1-3H3,(H,23,24)/t18-,19-,20+,21+,22+/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC5=CC=CC=C5)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C47H59N3O10/c1-4-25-58-47-42(50(2)46(54)57-27-26-56-32-34-17-9-6-10-18-34)30-40(49-55-3)38-28-35(19-11-13-23-51)37(20-12-14-24-52)43(44(38)47)39-29-36(21-22-41(39)60-47)59-45(53)48-31-33-15-7-5-8-16-33/h4-10,15-18,21-22,28-29,35,37,42-44,51-52H,1,11-14,19-20,23-27,30-32H2,2-3H3,(H,48,53)/t35-,37+,42-,43+,44+,47+/m0/s1
SMILES: C1[C@H]2[C@H](C3=CC=CC=C31)C4=C(C=CC(=C4)[N+](=O)[O-])N[C@@H]2C5=CC=CC=C5C(F)(F)F
InChI: InChI=1S/C23H17F3N2O2/c24-23(25,26)19-8-4-3-7-16(19)22-18-11-13-5-1-2-6-15(13)21(18)17-12-14(28(29)30)9-10-20(17)27-22/h1-10,12,18,21-22,27H,11H2/t18-,21+,22+/m0/s1
SMILES: CCCS(=O)(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C16H22N2O6S/c1-2-8-25(20,21)18-12-9-22-15-13(10-23-14(12)15)24-16(19)17-11-6-4-3-5-7-11/h3-7,12-15,18H,2,8-10H2,1H3,(H,17,19)/t12-,13+,14+,15+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@]1([C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI: InChI=1S/C23H29NO3Si/c1-5-28(6-2,7-3)27-23(4)20(18-14-10-8-11-15-18)24(22(23)26)21(25)19-16-12-9-13-17-19/h8-17,20H,5-7H2,1-4H3/t20-,23+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)F)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OCC#C)C)C)C
InChI: InChI=1S/C34H52FN3O9/c1-11-15-43-33(7)17-18(3)25-20(5)28-34(8,47-32(42)38(28)14-13-36-25)23(12-2)45-30(41)24(35)26(39)21(6)29(33)46-31-27(40)22(37(9)10)16-19(4)44-31/h1,18-24,27-29,31,40H,12-17H2,2-10H3/t18-,19-,20+,21+,22+,23-,24?,27-,28-,29-,31+,33+,34-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)OC(=O)C(CBr)Br)CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)C
InChI: InChI=1S/C25H41Br2NO4S/c1-24(2)18-13-14-25(24,22(15-18)32-23(29)21(27)16-26)17-33(30,31)28(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h18-22H,3-17H2,1-2H3/t18-,21?,22-,25-/m1/s1
SMILES: CN1C[C@]23[C@@H]4C(=O)C=CC2[C@H]1CC5=C3C(=C(C=C5)OC)O4
InChI: InChI=1S/C17H17NO3/c1-18-8-17-10-4-5-12(19)16(17)21-15-13(20-2)6-3-9(14(15)17)7-11(10)18/h3-6,10-11,16H,7-8H2,1-2H3/t10?,11-,16+,17+/m1/s1
SMILES: CCC1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H](C(C(C(C(=O)O1)C)O[C@H]2C[C@@]([C@H](C(O2)C)O)(C)OC)C)OC3[C@@H](C(CC(O3)C)C(C)[11CH3])O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C38H68O13/c1-14-26-38(12,45)31(41)21(6)28(39)19(4)16-36(10,44)33(51-35-29(40)25(18(2)3)15-20(5)47-35)22(7)30(23(8)34(43)49-26)50-27-17-37(11,46-13)32(42)24(9)48-27/h18-27,29-33,35,40-42,44-45H,14-17H2,1-13H3/t19-,20?,21+,22?,23?,24?,25?,26?,27+,29-,30?,31-,32+,33-,35?,36+,37-,38-/m1/s1/i2-1/t18?,19-,20?,21+,22?,23?,24?,25?,26?,27+,29-,30?,31-,32+,33-,35?,36+,37-,38-
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H21N3O4S/c1-13-14(2)23-28-21(13)24-29(26,27)17-10-8-16(9-11-17)22-20(25)19-12-18(19)15-6-4-3-5-7-15/h3-11,18-19,24H,12H2,1-2H3,(H,22,25)/t18-,19-/m1/s1
SMILES: C=C(C1=CC(=CC(=C1)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H23F4NO2/c1-18(21-14-22(26(28,29)30)16-23(27)15-21)33-25-24(20-10-6-3-7-11-20)31(12-13-32-25)17-19-8-4-2-5-9-19/h2-11,14-16,24-25H,1,12-13,17H2/t24-,25+/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C37H27Cl2F3N4O5/c1-45-32(48)23-13-12-22-25(28(23)34(45)50)15-26-33(49)46(44-31-27(39)14-19(16-43-31)37(40,41)42)35(51)36(26,18-7-9-20(38)10-8-18)29(22)24-11-6-17-4-2-3-5-21(17)30(24)47/h2-12,14,16,23,25-26,28-29,47H,13,15H2,1H3,(H,43,44)/t23-,25+,26-,28-,29+,36+/m0/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C28H31NO5/c1-19-23-11-10-22(33-18-20-7-3-2-4-8-20)15-25(23)34-27(31)24(19)16-26(30)29-14-13-28(32)12-6-5-9-21(28)17-29/h2-4,7-8,10-11,15,21,32H,5-6,9,12-14,16-18H2,1H3/t21-,28+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)OCC=C)SCCC5=NC=CN=C5
InChI: InChI=1S/C35H47N3O6S/c1-3-18-42-35-32(45-19-13-25-23-36-14-15-37-25)22-30(38-43-4-2)28-20-24(9-5-7-16-39)27(10-6-8-17-40)33(34(28)35)29-21-26(41)11-12-31(29)44-35/h3,11-12,14-15,20-21,23-24,27,32-34,39-41H,1,4-10,13,16-19,22H2,2H3/t24-,27+,32-,33+,34+,35+/m0/s1
SMILES: CC[NH+](CC)C[C@@H]1[C@H]2[C@H](CC(=C)[C@H](CC/C(=C/[C@H]2O)/C)O)OC1=O
InChI: InChI=1S/C19H31NO4/c1-5-20(6-2)11-14-18-16(22)9-12(3)7-8-15(21)13(4)10-17(18)24-19(14)23/h9,14-18,21-22H,4-8,10-11H2,1-3H3/p+1/b12-9+/t14-,15+,16-,17+,18-/m1/s1
SMILES: CC(=O)OC[C@@H]1CO[C@@H]([C@H]1COCOC)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C17H22O7/c1-11(18)21-6-13-7-22-17(14(13)8-20-9-19-2)12-3-4-15-16(5-12)24-10-23-15/h3-5,13-14,17H,6-10H2,1-2H3/t13-,14+,17-/m1/s1
SMILES: CCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)N(C2=O)C(=O)C3=CC=CC=C3C)F)OC(=O)CC
InChI: InChI=1S/C23H25FN2O8/c1-4-19(27)32-12-17-16(34-20(28)5-2)10-18(33-17)25-11-15(24)22(30)26(23(25)31)21(29)14-9-7-6-8-13(14)3/h6-9,11,16-18H,4-5,10,12H2,1-3H3/t16-,17+,18+/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)C(Cl)(Cl)Cl)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C37H39Cl3N2O6/c1-23-33(21-42(2)20-32(45)30-7-4-8-31(44)18-30)47-35(48-34(23)27-11-9-24(22-43)10-12-27)28-15-13-26(14-16-28)29-6-3-5-25(17-29)19-41-36(46)37(38,39)40/h3-18,23,32-35,43-45H,19-22H2,1-2H3,(H,41,46)/t23-,32+,33+,34+,35+/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@H]3[C@@H]2[C@@H]([C@@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=C(C=C5)Br)[N+](=O)[O-]
InChI: InChI=1S/C25H21BrClN3O5S/c1-35-19-11-15(29(31)32)10-16-22-17(24(28-25(16)19)13-6-8-14(26)9-7-13)12-21(23(22)27)36-20-5-3-2-4-18(20)30(33)34/h2-11,17,21-24,28H,12H2,1H3/t17-,21-,22-,23-,24-/m1/s1
SMILES: CC(C)NC(=O)[C@H]1C[C@H]1[C@@H](C(=O)N2CCC[C@H]2C#N)N
InChI: InChI=1S/C14H22N4O2/c1-8(2)17-13(19)11-6-10(11)12(16)14(20)18-5-3-4-9(18)7-15/h8-12H,3-6,16H2,1-2H3,(H,17,19)/t9-,10+,11-,12-/m0/s1
SMILES: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)SC)C)O)F)C
InChI: InChI=1S/C24H33FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h9-11,16-20,27H,5-8,12-13H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](C(=O)N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O
InChI: InChI=1S/C25H21NO6/c1-30-18-10-7-15(8-11-18)23-22(25(28)29)21(16-9-12-19-20(13-16)32-14-31-19)24(27)26(23)17-5-3-2-4-6-17/h2-13,21-23H,14H2,1H3,(H,28,29)/t21-,22-,23+/m1/s1
SMILES: CC(=C)[C@H]1C[C@@H]2[C@@](O2)([C@@](C1)(CC(=O)OC(C)(C)C)O)C
InChI: InChI=1S/C16H26O4/c1-10(2)11-7-12-15(6,19-12)16(18,8-11)9-13(17)20-14(3,4)5/h11-12,18H,1,7-9H2,2-6H3/t11-,12+,15+,16+/m0/s1
SMILES: C[N@@+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)/C=C/C3=CC=CC=C3OC
InChI: InChI=1S/C21H30NO3/c1-22-14-6-5-10-19(22)18(9-7-15-22)16-25-21(23)13-12-17-8-3-4-11-20(17)24-2/h3-4,8,11-13,18-19H,5-7,9-10,14-16H2,1-2H3/q+1/b13-12+/t18-,19+,22-/m0/s1
SMILES: C/C(=C\CNN1CC2=C(N=C1)N=CN2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO
InChI: InChI=1S/C16H25N5O6/c1-9(5-22)2-3-19-20-4-10-15(17-7-20)18-8-21(10)16-14(26)13(25)12(24)11(6-23)27-16/h2,7-8,11-14,16,19,22-26H,3-6H2,1H3/b9-2+/t11-,12-,13+,14-,16-/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2)C
InChI: InChI=1S/C20H29N3O2/c1-14-7-8-18(15(2)11-14)21-20(25)22-19(24)13-23-10-9-16-5-3-4-6-17(16)12-23/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H2,21,22,24,25)/p+1/t16-,17+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](C/C=C(/C(=O)OC)\NC(=O)OCC1=CC=CC=C1)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C56H69NO10Si/c1-56(2,3)68(5,6)66-40-47(32-33-48(54(58)60-4)57-55(59)65-39-46-30-20-11-21-31-46)34-49-51(62-36-43-24-14-8-15-25-43)53(64-38-45-28-18-10-19-29-45)52(63-37-44-26-16-9-17-27-44)50(67-49)41-61-35-42-22-12-7-13-23-42/h7-31,33,47,49-53H,32,34-41H2,1-6H3,(H,57,59)/b48-33-/t47-,49-,50+,51-,52-,53+/m0/s1
SMILES: CCCN1CC[C@@H]2[C@H]1CCC3=C2C(=CC=C3)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O/c1-2-14-25-15-13-19-21(25)12-11-18-9-6-10-20(22(18)19)23(26)24-16-17-7-4-3-5-8-17/h3-10,19,21H,2,11-16H2,1H3,(H,24,26)/t19-,21-/m1/s1
SMILES: CC1=C[C@H]([C@@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC=C3)N4[C@@H](COC4=O)C5=CC=CC=C5
InChI: InChI=1S/C24H22N2O4/c1-15-12-18-21(23(28)25(22(18)27)17-10-6-3-7-11-17)19(13-15)26-20(14-30-24(26)29)16-8-4-2-5-9-16/h2-11,13,18-21H,12,14H2,1H3/t18-,19+,20-,21-/m0/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C23H20FN3O3/c1-12-4-9-16-15(11-12)23(22(30)25-16)19-18(17-3-2-10-26(17)23)20(28)27(21(19)29)14-7-5-13(24)6-8-14/h4-9,11,17-19H,2-3,10H2,1H3,(H,25,30)/t17-,18+,19-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=C[C@H]([C@H]([C@@H](C2)O)O)NC(=O)C3=C(C=CC(=C3)OC)Br
InChI: InChI=1S/C25H28BrN3O7/c1-35-15-5-3-13(4-6-15)9-20(23(27)32)29-24(33)14-10-19(22(31)21(30)11-14)28-25(34)17-12-16(36-2)7-8-18(17)26/h3-8,10,12,19-22,30-31H,9,11H2,1-2H3,(H2,27,32)(H,28,34)(H,29,33)/t19-,20+,21-,22-/m1/s1
SMILES: C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@H]4C=C[C@@]2(C(=O)O4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C6=COC=C6
InChI: InChI=1S/C26H32O11/c1-24-9-15(12-5-8-33-11-12)34-21(31)13(24)3-6-25(2)20(24)14-4-7-26(25,23(32)36-14)37-22-19(30)18(29)17(28)16(10-27)35-22/h4-5,7-8,11,13-20,22,27-30H,3,6,9-10H2,1-2H3/t13-,14-,15+,16-,17-,18+,19-,20+,22+,24-,25-,26+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC4=CC=CO4)O2
InChI: InChI=1S/C16H17NO5/c1-2-20-15(19)12-11-5-6-16(22-11)9-17(14(18)13(12)16)8-10-4-3-7-21-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12-,13+,16-/m1/s1
SMILES: C1CC(OC1CO)N2C3=NC=NC(=C3C=N2)NCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC4[C@@H]5[C@H](CS4)NC(=O)N5
InChI: InChI=1S/C36H58N10O6S/c47-22-25-15-16-32(52-25)46-35-26(21-43-46)34(41-24-42-35)40-20-10-9-19-39-30(49)13-4-2-7-17-37-29(48)12-3-1-8-18-38-31(50)14-6-5-11-28-33-27(23-53-28)44-36(51)45-33/h21,24-25,27-28,32-33,47H,1-20,22-23H2,(H,37,48)(H,38,50)(H,39,49)(H,40,41,42)(H2,44,45,51)/t25?,27-,28?,32?,33-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C41H33ClN2O8/c42-25-11-7-13-27(21-25)44-37(47)32-22-31-28(16-17-30-34(31)38(48)43(36(30)46)26-12-6-8-23(20-26)39(49)50)35(29-14-4-5-15-33(29)52-19-18-45)41(32,40(44)51)24-9-2-1-3-10-24/h1-16,20-21,30-32,34-35,45H,17-19,22H2,(H,49,50)/t30-,31+,32-,34-,35+,41+/m0/s1
SMILES: CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCC(CO)O)CC(=O)OC)C(=O)NCCCNC6=CC=CC=N6)C)C
InChI: InChI=1S/C46H58N8O7/c1-8-30-24(2)33-21-38-42(28(6)56)26(4)35(52-38)19-34-25(3)31(13-14-40(58)50-22-29(57)23-55)44(53-34)32(18-41(59)61-7)45-43(27(5)36(54-45)20-37(30)51-33)46(60)49-17-11-16-48-39-12-9-10-15-47-39/h9-10,12,15,19-21,24-25,29-31,52,54-55,57H,8,11,13-14,16-18,22-23H2,1-7H3,(H,47,48)(H,49,60)(H,50,58)/t24-,25+,29?,30-,31+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3C[C@H]([C@H](C[C@H]3C2=O)Br)Br
InChI: InChI=1S/C16H17Br2NO2/c1-8-3-4-9(2)14(5-8)19-15(20)10-6-12(17)13(18)7-11(10)16(19)21/h3-5,10-13H,6-7H2,1-2H3/t10-,11-,12-,13+/m1/s1
SMILES: C/C=C/1\CCC[C@@]2([C@@]1([C@@H](C[C@@H](C2)O[Si](C(C)C)(C(C)C)C(C)C)C#CCOC(=O)C)O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChI: InChI=1S/C27H46O5Si.6CO.2Co/c1-10-23-13-11-15-26(30-9)18-25(32-33(19(2)3,20(4)5)21(6)7)17-24(27(23,26)29)14-12-16-31-22(8)28;6*1-2;;/h10,19-21,24-25,29H,11,13,15-18H2,1-9H3;;;;;;;;/b23-10+;;;;;;;;/t24-,25+,26-,27-;;;;;;;;/m1......../s1
SMILES: C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=C(C=CC(=C4)C#CCNC(=O)N)N(C3=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C48H40N6O10/c1-2-25-50-43(56)38-40-44(57)64-41(32-13-7-4-8-14-32)39(31-11-5-3-6-12-31)53(40)42(33-18-22-35(55)23-19-33)48(38)36-27-29(10-9-26-51-46(49)59)17-24-37(36)52(45(48)58)47(60)63-28-30-15-20-34(21-16-30)54(61)62/h2-8,11-24,27,38-42,55H,1,25-26,28H2,(H,50,56)(H3,49,51,59)/t38-,39-,40-,41+,42+,48-/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-])OCC=C)C=O
InChI: InChI=1S/C56H59N3O11/c1-4-30-68-56-52(58(35-40-15-11-14-38-12-5-6-16-45(38)40)53(63)27-20-37-18-21-42(22-19-37)59(64)65)34-49(57-67-3)47-32-39(13-7-9-28-60)46(17-8-10-29-61)54(55(47)56)48-33-44(24-26-51(48)70-56)69-43-23-25-50(66-2)41(31-43)36-62/h4-6,11-12,14-16,18-27,31-33,36,39,46,52,54-55,60-61H,1,7-10,13,17,28-30,34-35H2,2-3H3/t39-,46+,52-,54+,55+,56+/m0/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1CC=C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H34O3Si/c1-17(2,3)16(19)21-15-11-9-10-14(15)12-13-20-22(7,8)18(4,5)6/h9-10,14-15H,11-13H2,1-8H3/t14-,15-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C=C7)OCCO)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl
InChI: InChI=1S/C42H32Cl2F5N5O6/c1-52(2)23-9-5-21(6-10-23)50-51-22-7-11-24(12-8-22)53-37(56)27-16-15-26-28(29(27)38(53)57)19-41(43)39(58)54(36-34(48)32(46)31(45)33(47)35(36)49)40(59)42(41,44)30(26)20-3-13-25(14-4-20)60-18-17-55/h3-15,27-30,55H,16-19H2,1-2H3/t27-,28+,29-,30-,41+,42-/m0/s1
SMILES: CO[C@@H]1C[C@@H]([C@@H]([C@H](O1)C(=O)O)OC(=O)C2=CC=CC=C2)NC(=O)C(F)(F)F
InChI: InChI=1S/C16H16F3NO7/c1-25-10-7-9(20-15(24)16(17,18)19)11(12(26-10)13(21)22)27-14(23)8-5-3-2-4-6-8/h2-6,9-12H,7H2,1H3,(H,20,24)(H,21,22)/t9-,10-,11-,12-/m0/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]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O)N[C@H](C)O)CO)O)O)O)O)O
InChI: InChI=1S/C20H37NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5-31H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
SMILES: CCCCCCCCCC/C=C/C[C@@H]([C@H]1[C@@H](OC(O1)(C)C)[C@@H](COCC2=CC=CC=C2)N=[N+]=[N-])SC3=CC=C(C=C3)C
InChI: InChI=1S/C35H51N3O3S/c1-5-6-7-8-9-10-11-12-13-14-18-21-32(42-30-24-22-28(2)23-25-30)34-33(40-35(3,4)41-34)31(37-38-36)27-39-26-29-19-16-15-17-20-29/h14-20,22-25,31-34H,5-13,21,26-27H2,1-4H3/b18-14+/t31-,32+,33+,34+/m1/s1
SMILES: CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)O)NC(=O)C7=CC=CC=C7
InChI: InChI=1S/C48H54N7O8P/c1-31(2)55(32(3)4)64(61-28-14-27-49)63-43-40(62-47(42(43)56)54-30-50-41-44(51-33(5)52-45(41)54)53-46(57)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(58-6)24-20-36)37-21-25-39(59-7)26-22-37/h8-13,15-26,30-32,40,42-43,47,56H,14,28-29H2,1-7H3,(H,51,52,53,57)/t40-,42-,43-,47-,64?/m1/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]4[NH+]1C=CC5=CC=CC=C45
InChI: InChI=1S/C21H23NO4/c1-21(2,3)19(24)17-14-13-10-25-20(26-13)18(23)15(14)16-12-7-5-4-6-11(12)8-9-22(16)17/h4-9,13-17,20H,10H2,1-3H3/p+1/t13-,14-,15+,16+,17+,20-/m0/s1
SMILES: CCCC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCNC(=O)[C@H]4C[C@@H]4C(=O)NCCNC(=O)[C@H](CC5=CN=CN5)NC(=O)C6=CC=CC(=N6)CNCCN)C)C)C
InChI: InChI=1S/C46H60N16O8/c1-5-7-39(63)56-29-17-37(61(3)23-29)45(69)58-31-19-38(62(4)25-31)46(70)57-30-18-36(60(2)24-30)44(68)53-15-13-51-41(65)33-20-32(33)40(64)50-12-14-52-42(66)35(16-28-22-49-26-54-28)59-43(67)34-9-6-8-27(55-34)21-48-11-10-47/h6,8-9,17-19,22-26,32-33,35,48H,5,7,10-16,20-21,47H2,1-4H3,(H,49,54)(H,50,64)(H,51,65)(H,52,66)(H,53,68)(H,56,63)(H,57,70)(H,58,69)(H,59,67)/t32-,33-,35-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@@H]3C(=O)CCC=C3NC4=NC(=NN24)SC)OC
InChI: InChI=1S/C18H20N4O3S/c1-24-10-7-8-11(14(9-10)25-2)16-15-12(5-4-6-13(15)23)19-17-20-18(26-3)21-22(16)17/h5,7-9,15-16H,4,6H2,1-3H3,(H,19,20,21)/t15-,16-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C24H26N2O5/c1-14-8-10-16-18(12-14)24(29)26(23(16)28)20-7-5-4-6-17(20)22(27)25-19-11-9-15(30-2)13-21(19)31-3/h4-7,9,11,13-14,16,18H,8,10,12H2,1-3H3,(H,25,27)/t14-,16+,18-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=NN([C@H]3[C@@H]2C(=O)NC3=O)CC4=CC=CC=C4
InChI: InChI=1S/C19H17N3O3/c1-25-14-9-7-13(8-10-14)16-15-17(19(24)20-18(15)23)22(21-16)11-12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,20,23,24)/t15-,17+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CCC(=O)[C@@]4(C)OC(=O)C)C)C
InChI: InChI=1S/C25H38O5/c1-15(26)29-18-10-12-23(3)17(14-18)6-7-19-20(23)11-13-24(4)21(19)8-9-22(28)25(24,5)30-16(2)27/h17-21H,6-14H2,1-5H3/t17-,18-,19+,20-,21+,23-,24+,25+/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2N3CCC(CC3)N4CCN(CC4)C5=CC=CC=C5
InChI: InChI=1S/C22H33N3/c1-2-4-20(5-3-1)23-12-14-24(15-13-23)21-8-10-25(11-9-21)22-17-18-6-7-19(22)16-18/h1-5,18-19,21-22H,6-17H2/t18-,19-,22-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)(C#N)OS(=O)(=O)C
InChI: InChI=1S/C23H41N3O8SSi2/c1-21(2,3)36(8,9)31-14-16-23(15-24,34-35(7,29)30)18(33-37(10,11)22(4,5)6)19(32-16)26-13-12-17(27)25-20(26)28/h12-13,16,18-19H,14H2,1-11H3,(H,25,27,28)/t16-,18+,19-,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(CC2=CNC3=CC=CC=C32)C(=O)NC[C@@H](C4=CC=CC=C4)NC(=O)/C=C/C(=O)OCC[Si](C)(C)C
InChI: InChI=1S/C37H50N4O6Si/c1-26-13-9-12-18-32(26)47-36(45)41-37(2,23-28-24-38-30-17-11-10-16-29(28)30)35(44)39-25-31(27-14-7-6-8-15-27)40-33(42)19-20-34(43)46-21-22-48(3,4)5/h6-8,10-11,14-17,19-20,24,26,31-32,38H,9,12-13,18,21-23,25H2,1-5H3,(H,39,44)(H,40,42)(H,41,45)/b20-19+/t26-,31+,32-,37-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](C(OC1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H21NO3/c1-17(26)25-22-21(18-11-5-2-6-12-18)24(28-23(22)27,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,1H3,(H,25,26)/t21-,22+/m1/s1
SMILES: CC1=CCC[C@]2([C@H]1[C@](CC[C@@H]2O[Si](C)(C)C(C)(C)C)(C)O)C
InChI: InChI=1S/C19H36O2Si/c1-14-10-9-12-18(5)15(11-13-19(6,20)16(14)18)21-22(7,8)17(2,3)4/h10,15-16,20H,9,11-13H2,1-8H3/t15-,16-,18+,19+/m0/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4F
InChI: InChI=1S/C16H14FNO2/c17-11-3-1-2-4-12(11)18-15(19)13-9-5-6-10(8-7-9)14(13)16(18)20/h1-6,9-10,13-14H,7-8H2/t9-,10+,13+,14-
SMILES: C[C@@H]1CC(O[C@@H]([C@H]1NC(=O)C)C(C(CO)O)O)(C(=O)O)O
InChI: InChI=1S/C12H21NO8/c1-5-3-12(20,11(18)19)21-10(8(5)13-6(2)15)9(17)7(16)4-14/h5,7-10,14,16-17,20H,3-4H2,1-2H3,(H,13,15)(H,18,19)/t5-,7?,8+,9?,10+,12?/m1/s1