EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C1(C(=O)NC(=O)NC1=O)COC(=O)[C@H]2[C@@H](C(=NO2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C28H31N3O6/c1-16(2)28(24(33)29-26(35)30-25(28)34)15-36-23(32)22-20(17-9-7-6-8-10-17)21(31-37-22)18-11-13-19(14-12-18)27(3,4)5/h6-14,16,20,22H,15H2,1-5H3,(H2,29,30,33,34,35)/t20-,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2C
InChI: InChI=1S/C22H32N2O4/c1-14(2)20(24-21(26)17-11-7-5-9-15(17)3)22(27)28-13-19(25)23-18-12-8-6-10-16(18)4/h5,7,9,11,14,16,18,20H,6,8,10,12-13H2,1-4H3,(H,23,25)(H,24,26)/t16-,18+,20+/m1/s1
SMILES: CN([C@H]1[C@H](COC2=C1C=CC=C2OC)CO)C(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H21ClN2O4/c1-22(19(24)21-14-8-6-13(20)7-9-14)17-12(10-23)11-26-18-15(17)4-3-5-16(18)25-2/h3-9,12,17,23H,10-11H2,1-2H3,(H,21,24)/t12-,17-/m0/s1
SMILES: C1CCC(C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C14H17NO4/c16-12-11-10(13(17)18)9-5-6-14(11,19-9)7-15(12)8-3-1-2-4-8/h5-6,8-11H,1-4,7H2,(H,17,18)/t9-,10+,11-,14-/m1/s1
SMILES: CCCCCC[C@H]1[C@H](O1)[C@H](/C=C/C)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC
InChI: InChI=1S/C22H29F3O4/c1-4-6-7-11-15-18-19(28-18)17(12-5-2)29-20(26)21(27-3,22(23,24)25)16-13-9-8-10-14-16/h5,8-10,12-14,17-19H,4,6-7,11,15H2,1-3H3/b12-5+/t17-,18-,19+,21+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CC[N+]4=C3N(N=C4)C)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C16H20N4O4S/c1-7-11-10(8(2)21)15(22)20(11)12(16(23)24)13(7)25-9-4-5-19-6-17-18(3)14(9)19/h6-11,21H,4-5H2,1-3H3/t7-,8-,9?,10-,11-/m1/s1
SMILES: CC(C)O[C@H]1NC(=O)[C@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H21NO3/c1-13(2)22-19-20-18(21)16(14-9-5-3-6-10-14)17(23-19)15-11-7-4-8-12-15/h3-13,16-17,19H,1-2H3,(H,20,21)/t16-,17-,19+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3
InChI: InChI=1S/C21H27N3O3S/c1-13-6-4-8-18(14(13)2)24-20(26)15(3)27-19(25)10-17-12-28-21(23-17)16-7-5-9-22-11-16/h5,7,9,11-15,18H,4,6,8,10H2,1-3H3,(H,24,26)/t13-,14-,15-,18+/m1/s1
SMILES: C1=CC2=C(C=CN=C2C=C1Cl)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C15H16ClNO6/c16-7-1-2-8-9(5-7)17-4-3-10(8)22-15-14(21)13(20)12(19)11(6-18)23-15/h1-5,11-15,18-21H,6H2/t11-,12-,13+,14-,15+/m1/s1
SMILES: CC1=CC2=C(C=C1C(C)C)C(=CC(=O)O2)COC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4
InChI: InChI=1S/C23H28O4/c1-13(2)19-11-20-18(10-23(25)27-21(20)6-14(19)3)12-26-22(24)9-17-8-15-4-5-16(17)7-15/h6,10-11,13,15-17H,4-5,7-9,12H2,1-3H3/t15-,16+,17+/m1/s1
SMILES: C[C@]12[C@H](N(O[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H19FN2O3/c1-24-20(16-8-4-2-5-9-16)27(19-10-6-3-7-11-19)30-21(24)22(28)26(23(24)29)18-14-12-17(25)13-15-18/h2-15,20-21H,1H3/t20-,21+,24+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C=C6)O)F)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)(O)O
InChI: InChI=1S/C38H29BClF2N3O7/c40-22-7-5-20(6-8-22)38-29(35(48)45(37(38)50)43-24-11-9-23(41)10-12-24)18-28-26(33(38)19-4-15-31(46)30(42)16-19)13-14-27-32(28)36(49)44(34(27)47)25-3-1-2-21(17-25)39(51)52/h1-13,15-17,27-29,32-33,43,46,51-52H,14,18H2/t27-,28+,29-,32-,33-,38+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](CC=C([C@@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C=C)C(=O)N(C3=O)NC6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C36H30Cl2N2O5/c1-3-23-9-17-29-34(42)40(39-31-18-12-25(37)19-30(31)38)35(43)36(29,24-10-13-26(44-2)14-11-24)33(23)28-16-15-27(20-32(28)41)45-21-22-7-5-4-6-8-22/h3-16,18-20,29,33,39,41H,1,17,21H2,2H3/t29-,33+,36+/m0/s1
SMILES: C[C@H](CC(C(C(C)(C)OC(=O)C(=O)OC)(F)F)OC(=O)C(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C
InChI: InChI=1S/C35H52F2O10/c1-20(17-27(46-30(40)28(38)43-7)35(36,37)32(2,3)47-31(41)29(39)44-8)24-11-12-25-23-10-9-21-18-22(45-19-42-6)13-15-33(21,4)26(23)14-16-34(24,25)5/h9,20,22-27H,10-19H2,1-8H3/t20-,22+,23+,24-,25+,26+,27?,33+,34-/m1/s1
SMILES: COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2)C[C@@H]1C3=CC=C(C=C3)C4=CC=CO4
InChI: InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3/t14-,15-,16+,18+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CCC(=O)C(F)(F)F)SC(=S)OCC(C)(C)C)OC)C
InChI: InChI=1S/C19H29F3O6S2/c1-17(2,3)9-25-16(29)30-10(7-8-11(23)19(20,21)22)12-13(24-6)14-15(26-12)28-18(4,5)27-14/h10,12-15H,7-9H2,1-6H3/t10?,12-,13+,14-,15-/m1/s1
SMILES: CC1=CC[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/C23H21ClN2O3/c1-13-6-9-18-19(10-13)23(29)26(22(18)28)17-5-3-4-15(11-17)21(27)25-20-12-16(24)8-7-14(20)2/h3-8,11-12,18-19H,9-10H2,1-2H3,(H,25,27)/t18-,19-/m0/s1
SMILES: CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)CN3C(=O)[C@H]4CC=C(C[C@H]4C3=O)Cl)C
InChI: InChI=1S/C20H20ClN3O4S/c1-20(2)6-13-14(7-22)17(29-15(13)9-28-20)23-16(25)8-24-18(26)11-4-3-10(21)5-12(11)19(24)27/h3,11-12H,4-6,8-9H2,1-2H3,(H,23,25)/t11-,12+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@]3(CCC(C3)(CC=C)CC=C)[C@@H]4[C@H](O2)OC(O4)(C)C)C
InChI: InChI=1S/C22H34O5/c1-7-9-21(10-8-2)11-12-22(14-21)16(15-13-23-19(3,4)25-15)24-18-17(22)26-20(5,6)27-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17+,18-,22+/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@H]([C@H](C1=O)C[C@]2(C)C(=O)OC)C(C)C
InChI: InChI=1S/C15H24O3/c1-8(2)10-6-12-9(3)13(16)11(10)7-15(12,4)14(17)18-5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12+,15+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F
InChI: InChI=1S/C19H28FN3O2/c1-13-6-4-9-17(14(13)2)22-19(25)12-23(3)11-18(24)21-16-8-5-7-15(20)10-16/h5,7-8,10,13-14,17H,4,6,9,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14-,17+/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)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=CC=CC=C5OC
InChI: InChI=1S/C33H28F5NO5S/c1-17-23(16-45-24-6-4-3-5-22(24)42-2)43-33(44-31(17)19-9-7-18(15-40)8-10-19)20-11-13-21(14-12-20)39-32(41)25-26(34)28(36)30(38)29(37)27(25)35/h3-14,17,23,31,33,40H,15-16H2,1-2H3,(H,39,41)/t17-,23+,31+,33+/m1/s1
SMILES: CC(C)[C@H]1CC[C@@]23[C@@]1(CC(=O)[C@@]2([C@]45[C@H](C3)C(=C)C(=O)[C@H]4O5)C)C
InChI: InChI=1S/C20H26O3/c1-10(2)12-6-7-19-8-13-11(3)15(22)16-20(13,23-16)18(19,5)14(21)9-17(12,19)4/h10,12-13,16H,3,6-9H2,1-2,4-5H3/t12-,13-,16-,17-,18+,19-,20+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C5=CC=CC=C5C=C4
InChI: InChI=1S/C25H25NO3/c1-27-21-13-16(14-22(28-2)25(21)29-3)23-19-10-6-9-18(19)20-12-11-15-7-4-5-8-17(15)24(20)26-23/h4-9,11-14,18-19,23,26H,10H2,1-3H3/t18-,19-,23+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C20H18N2O5/c1-27-18-8-6-11(10-17(18)22(25)26)19-14-4-2-3-13(14)15-9-12(20(23)24)5-7-16(15)21-19/h2-3,5-10,13-14,19,21H,4H2,1H3,(H,23,24)/p-1/t13-,14-,19-/m1/s1
SMILES: CC[C@H](C)[C@@]12CCCC[C@@]1(C3=CC=CC=C3N2CCC[NH+](C)C)C.[Cl-]
InChI: InChI=1S/C22H36N2.ClH/c1-6-18(2)22-15-10-9-14-21(22,3)19-12-7-8-13-20(19)24(22)17-11-16-23(4)5;/h7-8,12-13,18H,6,9-11,14-17H2,1-5H3;1H/t18-,21+,22-;/m0./s1
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)S[C@@H]4CS(=O)(=O)C[C@H]4O
InChI: InChI=1S/C14H16N2O4S3/c17-8-5-23(19,20)6-10(8)22-14-15-12(18)11-7-3-1-2-4-9(7)21-13(11)16-14/h8,10,17H,1-6H2,(H,15,16,18)/t8-,10-/m1/s1
SMILES: CS(=O)(=O)[C@@H]1[C@@H](N(C(=O)C1=O)CCCC(=O)[O-])C2=CC=CC=C2F
InChI: InChI=1S/C15H16FNO6S/c1-24(22,23)14-12(9-5-2-3-6-10(9)16)17(15(21)13(14)20)8-4-7-11(18)19/h2-3,5-6,12,14H,4,7-8H2,1H3,(H,18,19)/p-1/t12-,14+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2O[P@@](=O)(N3C(C)(C)C)CC4=CC=CC=C4
InChI: InChI=1S/C21H32NO2P/c1-19(2,3)22-17-16-12-13-21(6,20(16,4)5)18(17)24-25(22,23)14-15-10-8-7-9-11-15/h7-11,16-18H,12-14H2,1-6H3/t16-,17-,18-,21+,25-/m1/s1
SMILES: CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\O)/C3=CSC(=N3)N)COC(=O)N(C)CCO
InChI: InChI=1S/C23H30N6O10S2/c1-23(2,3)20(34)39-10-38-19(33)15-11(7-37-22(35)28(4)5-6-30)8-40-18-14(17(32)29(15)18)26-16(31)13(27-36)12-9-41-21(24)25-12/h9,14,18,30,36H,5-8,10H2,1-4H3,(H2,24,25)(H,26,31)/b27-13-/t14-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2OC
InChI: InChI=1S/C21H27N3O2S/c1-13-7-6-10-18(14(13)2)22-21(27)24-23-20(25)17-11-15-8-4-5-9-16(15)12-19(17)26-3/h4-5,8-9,11-14,18H,6-7,10H2,1-3H3,(H,23,25)(H2,22,24,27)/t13-,14-,18-/m1/s1
SMILES: CC(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C24H28N2O8/c1-13(29)26(10-14-3-6-33-12-14)18-9-17(24(31)25-4-5-27)20-16-7-15(11-28)8-19(32-2)22(16)34-23(20)21(18)30/h3,6-9,12,18,20-21,23,27-28,30H,4-5,10-11H2,1-2H3,(H,25,31)/t18-,20+,21+,23+/m1/s1
SMILES: C[C@]1(C[C@]23C[C@H]1CCC2[C@]45CC[C@@H](C(C4[C@@H]3C=O)(C(=O)O5)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C25H42O5Si2/c1-22(30-32(6,7)8)15-24-13-16(22)9-10-18(24)25-12-11-19(29-31(3,4)5)23(2,21(27)28-25)20(25)17(24)14-26/h14,16-20H,9-13,15H2,1-8H3/t16-,17+,18?,19+,20?,22-,23?,24+,25-/m1/s1
SMILES: COC1=CC(=C(C=C1N2CC(=O)N[C@@H]3[C@@H]2CS(=O)(=O)C3)Cl)OC
InChI: InChI=1S/C14H17ClN2O5S/c1-21-12-4-13(22-2)10(3-8(12)15)17-5-14(18)16-9-6-23(19,20)7-11(9)17/h3-4,9,11H,5-7H2,1-2H3,(H,16,18)/t9-,11-/m0/s1
SMILES: CC(=O)C([C@@]1(C[C@H]2C(=CC=C[C@]2(CC1=O)C)COC(=O)C)O)O
InChI: InChI=1S/C17H22O6/c1-10(18)15(21)17(22)7-13-12(9-23-11(2)19)5-4-6-16(13,3)8-14(17)20/h4-6,13,15,21-22H,7-9H2,1-3H3/t13-,15?,16-,17-/m0/s1
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@@H](C=C5)O)O)C=C2
InChI: InChI=1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20-/m1/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)C5=CC=CO5)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C25H17N3O6/c29-23(18-9-4-12-34-18)22-20-19(21-17-8-2-1-5-14(17)10-11-26(21)22)24(30)27(25(20)31)15-6-3-7-16(13-15)28(32)33/h1-13,19-22H/t19-,20+,21+,22-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=COCCO)OC(O2)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C43H50N2O11/c1-42(2,3)55-38(49)19-18-33(28-47)45-37(48)20-22-44-40(50)30-26-35(53-41(51)34-17-11-10-12-29(34)21-24-52-25-23-46)39-36(27-30)54-43(56-39,31-13-6-4-7-14-31)32-15-8-5-9-16-32/h4-17,21,24,27,33,35-36,39,46-47H,18-20,22-23,25-26,28H2,1-3H3,(H,44,50)(H,45,48)/t33-,35+,36+,39-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O/C=C/C#C)C
InChI: InChI=1S/C31H30O5/c1-4-5-21-32-27-26(34-29-28(27)35-30(2,3)36-29)22-33-31(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h1,5-21,26-29H,22H2,2-3H3/b21-5+/t26-,27+,28-,29-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI: InChI=1S/C19H18ClF3N2O3/c20-15-8-7-11(10-14(15)19(21,22)23)24-16(26)6-3-9-25-17(27)12-4-1-2-5-13(12)18(25)28/h1-2,7-8,10,12-13H,3-6,9H2,(H,24,26)/t12-,13-/m0/s1
SMILES: C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NCC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H18N2O5/c1-10-7-12(8-14(19)15(10)16(20)23-2)17-9-11-3-5-13(6-4-11)18(21)22/h3-6,8,10,15,17H,7,9H2,1-2H3/t10-,15+/m1/s1
SMILES: CCOC1([C@@]2([C@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N)OCC
InChI: InChI=1S/C20H24N4O5/c1-6-28-20(29-7-2)19(11-22)16(18(19,10-21)17(23)24-20)12-8-13(25-3)15(27-5)14(9-12)26-4/h8-9,16H,6-7H2,1-5H3,(H2,23,24)/p+1/t16-,18+,19+/m0/s1
SMILES: C[NH+](CC1=CC=C(S1)Cl)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C15H19ClN2O2S/c1-17(8-10-6-7-13(16)21-10)9-18-14(19)11-4-2-3-5-12(11)15(18)20/h6-7,11-12H,2-5,8-9H2,1H3/p+1/t11-,12-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)O[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C5CCCCC5)O)O
InChI: InChI=1S/C31H52O6/c1-17(19-8-6-5-7-9-19)28(35)29(36)18(2)21-10-11-22-20-14-27(34)37-26-15-24(32)25(33)16-31(26,4)23(20)12-13-30(21,22)3/h17-26,28-29,32-33,35-36H,5-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24-,25+,26-,28+,29+,30+,31+/m0/s1
SMILES: C[C@H]1[C@H](C[C@@](N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)(CC(C)C)C(=O)O)S(=O)(=O)C
InChI: InChI=1S/C23H35NO6S/c1-14(2)12-23(21(26)27)13-19(31(8,28)29)15(3)24(23)20(25)16-9-10-17(22(4,5)6)18(11-16)30-7/h9-11,14-15,19H,12-13H2,1-8H3,(H,26,27)/t15-,19-,23-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
InChI: InChI=1S/C43H28Cl2FN3O6/c44-42-21-31-28(19-20-29-34(31)39(52)48(38(29)51)25-14-9-23(10-15-25)37-47-32-7-3-4-8-33(32)55-37)35(30-18-11-22-5-1-2-6-27(22)36(30)50)43(42,45)41(54)49(40(42)53)26-16-12-24(46)13-17-26/h1-19,29,31,34-35,50H,20-21H2/t29-,31+,34-,35+,42+,43-/m0/s1
SMILES: C[C@]12CCC[C@H](C1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)F)C)O
InChI: InChI=1S/C19H29FO2/c1-18-8-3-4-16(21)13(18)6-5-11-12(18)7-9-19(2)14(11)10-15(20)17(19)22/h6,11-12,14-17,21-22H,3-5,7-10H2,1-2H3/t11-,12+,14+,15-,16-,17+,18-,19+/m1/s1
SMILES: CCC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=C5C(=CC=C4)OC=N5)C)C)NC(=O)O2)C
InChI: InChI=1S/C41H58FN3O11/c1-11-14-29-41(8)33(44-38(50)56-41)24(4)31(46)22(2)20-39(6,52-18-13-16-26-15-12-17-28-30(26)43-21-51-28)35(25(5)34(48)40(7,42)37(49)54-29)55-36-32(47)27(45(9)10)19-23(3)53-36/h12-13,15-17,21-25,27,29,32-33,35-36,47H,11,14,18-20H2,1-10H3,(H,44,50)/b16-13+/t22-,23-,24+,25+,27+,29-,32-,33+,35-,36+,39-,40+,41-/m1/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)OCCO)C(=O)N(C5=O)C8=CC=C(C=C8)C=CC9=C(C=CC(=C9)OC)OC
InChI: InChI=1S/C51H47N3O8/c1-31-9-17-36(18-10-31)52-54-48(57)43-30-42-40(46(33-15-21-38(22-16-33)62-28-27-55)51(43,50(54)59)35-7-5-4-6-8-35)24-25-41-45(42)49(58)53(47(41)56)37-19-12-32(13-20-37)11-14-34-29-39(60-2)23-26-44(34)61-3/h4-24,26,29,41-43,45-46,52,55H,25,27-28,30H2,1-3H3/t41-,42+,43-,45-,46-,51+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(C=C4)Cl)N)C(=O)O
InChI: InChI=1S/C19H18ClN7O5S2/c1-32-25-12(11-7-34-19(22)23-11)15(28)24-13-16(29)27-14(18(30)31)8(6-33-17(13)27)4-26-3-2-9(20)10(21)5-26/h2-3,5,7,13,17H,4,6,21H2,1H3,(H3-,22,23,24,28,30,31)/p+1/b25-12-/t13-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CO5
InChI: InChI=1S/C22H17ClN2O5/c1-28-16-10-8-14(9-11-16)24-21(26)18-19(17-3-2-12-29-17)25(30-20(18)22(24)27)15-6-4-13(23)5-7-15/h2-12,18-20H,1H3/t18-,19+,20-/m0/s1
SMILES: CCN1C2=CC=CC=C2C(=NO[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)NC(=O)C)C1=O
InChI: InChI=1S/C18H23N3O7/c1-3-21-11-7-5-4-6-10(11)13(17(21)26)20-28-18-14(19-9(2)23)16(25)15(24)12(8-22)27-18/h4-7,12,14-16,18,22,24-25H,3,8H2,1-2H3,(H,19,23)/t12-,14+,15+,16-,18+/m0/s1
SMILES: CCOC(=O)[C@@H]1CC=C[C@H]2[C@H]1[C@@H](N(C(=O)C2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C26H29NO3/c1-2-30-26(29)22-15-9-14-21-17-24(28)27(18-20-12-7-4-8-13-20)23(25(21)22)16-19-10-5-3-6-11-19/h3-14,21-23,25H,2,15-18H2,1H3/t21-,22-,23+,25-/m1/s1
SMILES: CC1(C=CC2=C(O1)C=CC3=C2O[C@H]([C@H]4[C@@H]3OC5=C4C=CC(=C5)O)O)C
InChI: InChI=1S/C20H18O5/c1-20(2)8-7-12-14(25-20)6-5-13-17(12)24-19(22)16-11-4-3-10(21)9-15(11)23-18(13)16/h3-9,16,18-19,21-22H,1-2H3/t16-,18-,19-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)C
InChI: InChI=1S/C22H29N3O5/c1-14-8-10-16(11-9-14)22(3)20(28)25(21(29)24-22)12-19(27)30-13-18(26)23-17-7-5-4-6-15(17)2/h8-11,15,17H,4-7,12-13H2,1-3H3,(H,23,26)(H,24,29)/t15-,17-,22+/m0/s1
SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OCC(CO)O)C
InChI: InChI=1S/C23H36O4/c1-15(2)16-6-8-19-17(12-16)7-9-20-22(19,3)10-5-11-23(20,4)21(26)27-14-18(25)13-24/h7,12,15,18-20,24-25H,5-6,8-11,13-14H2,1-4H3/t18?,19-,20+,22+,23+/m0/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@H](N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)F
InChI: InChI=1S/C26H26FNO5/c1-30-20-8-10-21(11-9-20)33-25-24(18-5-4-6-19(27)16-18)28(26(25)29)14-13-17-7-12-22(31-2)23(15-17)32-3/h4-12,15-16,24-25H,13-14H2,1-3H3/t24-,25+/m1/s1
SMILES: CC1=CC2=C(C=C1)N(C(=O)[C@H]([C@H](S2)C3=CC=C(C=C3)OC)O)CCNC
InChI: InChI=1S/C20H24N2O3S/c1-13-4-9-16-17(12-13)26-19(14-5-7-15(25-3)8-6-14)18(23)20(24)22(16)11-10-21-2/h4-9,12,18-19,21,23H,10-11H2,1-3H3/t18-,19+/m0/s1
SMILES: C/C(=C\C1=CC(=C(C=C1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)NOCC3=CC=CC=C3)O)O)O)/C(=O)NC4=C(C5=C(C=C4O)OCO5)O
InChI: InChI=1S/C29H28N2O12/c1-14(27(37)30-21-18(33)11-20-25(22(21)34)40-13-39-20)9-16-7-8-19(17(32)10-16)42-29-24(36)23(35)26(43-29)28(38)31-41-12-15-5-3-2-4-6-15/h2-11,23-24,26,29,32-36H,12-13H2,1H3,(H,30,37)(H,31,38)/b14-9+/t23-,24-,26-,29+/m0/s1
SMILES: CCOC(=O)[C@]12CC(=C=C)OC1=C(C(=O)C[C@@H]2C)C3=NOC4=CC=CC=C43
InChI: InChI=1S/C21H19NO5/c1-4-13-11-21(20(24)25-5-2)12(3)10-15(23)17(19(21)26-13)18-14-8-6-7-9-16(14)27-22-18/h6-9,12H,1,5,10-11H2,2-3H3/t12-,21-/m0/s1
SMILES: CCOC(=O)C([C@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)F
InChI: InChI=1S/C28H31FN2O7/c1-3-36-27(33)23(29)22-24(37-16-20-12-8-5-9-13-20)21(17-35-15-19-10-6-4-7-11-19)38-26(22)31-14-18(2)25(32)30-28(31)34/h4-14,21-24,26H,3,15-17H2,1-2H3,(H,30,32,34)/t21-,22+,23?,24-,26+/m1/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)[O-]
InChI: InChI=1S/C15H16N2O4/c16-13(18)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)15(20)21/h1-2,5-8,11-12H,3-4H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/t11-,12+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C[N+]4=CC=CC=C4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C26H36NO2/c1-25-12-10-19(28)16-18(25)6-7-20-21-8-9-23(26(21,2)13-11-22(20)25)24(29)17-27-14-4-3-5-15-27/h3-6,14-15,19-23,28H,7-13,16-17H2,1-2H3/q+1/t19-,20-,21-,22-,23+,25-,26-/m0/s1
SMILES: C[C@H]1C=C[C@H](ON1C(=O)O[C@@H]2[C@H]3CC[C@@]([C@@H]2OC(C)(C)C)(C3(C)C)C)C
InChI: InChI=1S/C21H35NO4/c1-13-9-10-14(2)26-22(13)18(23)24-16-15-11-12-21(8,20(15,6)7)17(16)25-19(3,4)5/h9-10,13-17H,11-12H2,1-8H3/t13-,14+,15+,16+,17+,21-/m0/s1
SMILES: C[C@@H](C(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C)N
InChI: InChI=1S/C21H30N2O2/c1-12(22)20(25)23-19-8-7-18-17-5-3-13-11-14(24)4-6-15(13)16(17)9-10-21(18,19)2/h4,6,11-12,16-19,24H,3,5,7-10,22H2,1-2H3,(H,23,25)/t12-,16+,17+,18-,19-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@]3([C@@H](ON4C3CCC4)C(Cl)Cl)C(=O)OC
InChI: InChI=1S/C22H23Cl2NO6S/c1-14-5-11-17(12-6-14)32(27,28)31-16-9-7-15(8-10-16)22(21(26)29-2)18-4-3-13-25(18)30-19(22)20(23)24/h5-12,18-20H,3-4,13H2,1-2H3/t18?,19-,22+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)CCO
InChI: InChI=1S/C25H38O6/c1-15-11-17-6-5-16(2)20(8-7-19-13-18(27)14-22(28)30-19)23(17)21(12-15)31-24(29)25(3,4)9-10-26/h5-6,11,15-16,18-21,23,26-27H,7-10,12-14H2,1-4H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES: CCOC(=O)[C@](C1=CC=C(O1)[C@H]2C[C@H]2C3CC3)(C(F)(F)F)O
InChI: InChI=1S/C15H17F3O4/c1-2-21-13(19)14(20,15(16,17)18)12-6-5-11(22-12)10-7-9(10)8-3-4-8/h5-6,8-10,20H,2-4,7H2,1H3/t9-,10-,14+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=CC=C4C(=O)O[C@@H]5CC(=C[C@@H]6[C@H]5OCO6)C(=O)NCCC(=O)NCCO)CCC1O2
InChI: InChI=1S/C35H46N2O8/c1-34(2)19-25-22(8-9-29-35(3,45-29)12-10-26(25)34)16-21-6-4-5-7-24(21)33(41)44-28-18-23(17-27-31(28)43-20-42-27)32(40)37-13-11-30(39)36-14-15-38/h4-7,16-17,25-29,31,38H,8-15,18-20H2,1-3H3,(H,36,39)(H,37,40)/t25-,26-,27-,28-,29?,31-,35-/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)CCC5=CC(=C(C=C5)OC)OC)C(=O)N2)C
InChI: InChI=1S/C27H30N4O6/c1-13-5-7-16-23(14(13)2)29-26(35)27(16)22-21(17(30-27)12-20(28)32)24(33)31(25(22)34)10-9-15-6-8-18(36-3)19(11-15)37-4/h5-8,11,17,21-22,30H,9-10,12H2,1-4H3,(H2,28,32)(H,29,35)/t17-,21-,22-,27-/m0/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-10-6-13(22)7-11-15)20(27)24(19(16)26)14-8-4-12(2)5-9-14/h4-11,16,18H,3H2,1-2H3/t16-,18-/m1/s1
SMILES: CN1C(=O)[C@H]2[C@H](N(O[C@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C18H15ClN2O3/c1-20-17(22)14-15(11-5-3-2-4-6-11)21(24-16(14)18(20)23)13-9-7-12(19)8-10-13/h2-10,14-16H,1H3/t14-,15+,16+/m0/s1
SMILES: CN1CC[C@H]([C@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F
InChI: InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25+/m0/s1
SMILES: CC(=O)OCC(COC(=O)C)(C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)[N+](=O)[O-]
InChI: InChI=1S/C28H39NO8/c1-17(30)35-15-28(29(33)34,16-36-18(2)31)25-9-8-23-22-7-6-20-14-21(37-19(3)32)10-12-26(20,4)24(22)11-13-27(23,25)5/h6,9,21-24H,7-8,10-16H2,1-5H3/t21-,22-,23-,24-,26-,27-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](CO2)CO)O)O
InChI: InChI=1S/C11H16N2O6/c1-5-2-13(11(18)12-9(5)17)10-8(16)7(15)6(3-14)4-19-10/h2,6-8,10,14-16H,3-4H2,1H3,(H,12,17,18)/t6-,7+,8+,10+/m0/s1
SMILES: CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C40H46BrNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-46-39(45)28-20-19-21-29(27-28)42-37(43)35-34-30-22-14-16-24-32(30)40(41,36(35)38(42)44)33-25-17-15-23-31(33)34/h14-17,19-25,27,34-36H,2-13,18,26H2,1H3/t34?,35-,36+,40?/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)C=O)O)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O
InChI: InChI=1S/C37H56O8/c1-10-21(2)31(43)45-30-29(42)37(20-44-22(3)39)24(17-32(30,4)5)23-11-12-26-33(6)15-14-27(40)34(7,19-38)25(33)13-16-35(26,8)36(23,9)18-28(37)41/h10-11,19,24-30,40-42H,12-18,20H2,1-9H3/b21-10-/t24-,25+,26+,27-,28+,29-,30-,33-,34-,35+,36+,37-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)C)C6=C(C=C(C=C6OC)OC)O
InChI: InChI=1S/C33H29NO8/c1-15-11-24(36)23-14-22-20(28(29(23)31(15)38)30-25(37)12-19(41-3)13-26(30)42-4)9-10-21-27(22)33(40)34(32(21)39)18-7-5-17(6-8-18)16(2)35/h5-9,11-13,21-22,27-28,37H,10,14H2,1-4H3/t21-,22+,27-,28-/m0/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)CO
InChI: InChI=1S/C17H20N2O6/c1-3-25-16(24)17(8-20)12-11(14(22)19(2)15(12)23)13(18-17)9-4-6-10(21)7-5-9/h4-7,11-13,18,20-21H,3,8H2,1-2H3/t11-,12-,13-,17+/m0/s1
SMILES: C1CC2=C(C1)C=C(C=C2)C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H19NO3/c21-17(14-9-8-12-4-3-5-13(12)10-14)11-20-18(22)15-6-1-2-7-16(15)19(20)23/h1-2,8-10,15-16H,3-7,11H2/t15-,16-/m0/s1
SMILES: CC(C)N(C(C)C)S(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)C[C@@]23O[C@@H](C(=O)O3)CC4=CC=CC=C4
InChI: InChI=1S/C25H37NO5S/c1-17(2)26(18(3)4)32(28,29)16-24-13-12-20(23(24,5)6)15-25(24)30-21(22(27)31-25)14-19-10-8-7-9-11-19/h7-11,17-18,20-21H,12-16H2,1-6H3/t20-,21-,24+,25+/m1/s1
SMILES: CSC1=NC=C(S1)C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC4CCCC4)/C5=CSC(=N5)N)SC2)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C34H32N6O5S4/c1-46-34-36-16-24(49-34)22-17-47-31-26(38-29(41)25(23-18-48-33(35)37-23)39-45-21-14-8-9-15-21)30(42)40(31)27(22)32(43)44-28(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,16,18,21,26,28,31H,8-9,14-15,17H2,1H3,(H2,35,37)(H,38,41)/b39-25-/t26-,31-/m1/s1
SMILES: C[C@H]1[C@H](C[C@@H]2C[C@H](NC3=NC[C@H]1N23)C(C4=CC(=NC(=N4)OC)OC)O)OC(=O)C
InChI: InChI=1S/C19H27N5O5/c1-9-14-8-20-18-21-12(5-11(24(14)18)6-15(9)29-10(2)25)17(26)13-7-16(27-3)23-19(22-13)28-4/h7,9,11-12,14-15,17,26H,5-6,8H2,1-4H3,(H,20,21)/t9-,11+,12+,14-,15+,17?/m1/s1
SMILES: C1[C@@H]2[C@]1(CN(C2)CCCSC3=NN=C(O3)C4=CC=CO4)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C21H20F3N3O2S/c22-21(23,24)15-6-4-14(5-7-15)20-11-16(20)12-27(13-20)8-2-10-30-19-26-25-18(29-19)17-3-1-9-28-17/h1,3-7,9,16H,2,8,10-13H2/t16-,20+/m0/s1
SMILES: C1[C@H]([C@@H](CS1(=O)=O)SC2=NN=C(O2)C3=CC=C(C=C3)F)O
InChI: InChI=1S/C12H11FN2O4S2/c13-8-3-1-7(2-4-8)11-14-15-12(19-11)20-10-6-21(17,18)5-9(10)16/h1-4,9-10,16H,5-6H2/t9-,10-/m1/s1
SMILES: CCO[C@@]12CC3=C([C@H]4[C@@]15CCN(C2CC6=C5C(=C(C=C6)O)O4)CC=C)NC7=CC=CC=C37
InChI: InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21?,25-,26-,27+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O
InChI: InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11+,12+,13-,14+/m0/s1
SMILES: C=C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)C3=C(N=CN=C32)N)CO)O
InChI: InChI=1S/C13H14N4O4/c1-6-10(20)8(4-18)21-13(6)17-3-2-7(19)9-11(14)15-5-16-12(9)17/h2-3,5,8,10,13,18,20H,1,4H2,(H2,14,15,16)/t8-,10+,13-/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C15H21NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-13H,1-8H2/t9-,10-,12-,13-/m0/s1