EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=C)Cl
InChI: InChI=1S/C32H28Cl2N2O6/c1-4-17-5-9-19(10-6-17)36-27(38)21-12-11-20-22(26(21)28(36)39)16-31(33)29(40)35(2)30(41)32(31,34)23(20)13-7-18-8-14-24(37)25(15-18)42-3/h4-11,13-15,21-23,26,37H,1,12,16H2,2-3H3/t21-,22+,23-,26-,31+,32-/m0/s1
SMILES: CC(C)O[C@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C1=C
InChI: InChI=1S/C14H20O6/c1-6(2)16-8-7(3)12(15)17-10-9(8)18-13-11(10)19-14(4,5)20-13/h6,8-11,13H,3H2,1-2,4-5H3/t8-,9-,10+,11-,13-/m1/s1
SMILES: C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)OC)OC)OC(=O)C)OC)OC)OC
InChI: InChI=1S/C25H32O7/c1-13-9-16-11-18(27-4)22(29-6)24(31-8)20(16)21-17(10-14(13)2)12-19(28-5)23(30-7)25(21)32-15(3)26/h11-14H,9-10H2,1-8H3/t13-,14+/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H](C2=CC3=C(C=C2[C@@H]1O)OCO3)COC(=O)C)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H24O9/c1-12(25)28-8-17-15-6-21-22(33-11-32-21)7-16(15)24(27)18(9-29-13(2)26)23(17)14-3-4-19-20(5-14)31-10-30-19/h3-7,17-18,23-24,27H,8-11H2,1-2H3/t17-,18-,23+,24-/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@H]([C@H]([C@@H](O2)CO)F)O)C(F)(F)F
InChI: InChI=1S/C10H10F4N2O5/c11-5-4(2-17)21-8(6(5)18)16-1-3(10(12,13)14)7(19)15-9(16)20/h1,4-6,8,17-18H,2H2,(H,15,19,20)/t4-,5-,6-,8-/m0/s1
SMILES: CC1=CC(=CC=C1)[C@@H]2CN3CCC4=CC(=C(C=C4[C@H]3C[C@H]2N)OC)OCC(=O)N5CCOCC5.Cl
InChI: InChI=1S/C27H35N3O4.ClH/c1-18-4-3-5-19(12-18)22-16-30-7-6-20-13-26(34-17-27(31)29-8-10-33-11-9-29)25(32-2)14-21(20)24(30)15-23(22)28;/h3-5,12-14,22-24H,6-11,15-17,28H2,1-2H3;1H/t22-,23+,24+;/m0./s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CCC[C@]45C(=O)NC(=O)N5
InChI: InChI=1S/C25H24N4O4/c1-15-13-17(19-5-2-3-6-20(19)26-15)14-33-18-10-8-16(9-11-18)22(30)27-21-7-4-12-25(21)23(31)28-24(32)29-25/h2-3,5-6,8-11,13,21H,4,7,12,14H2,1H3,(H,27,30)(H2,28,29,31,32)/t21-,25-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C23H22O9/c1-14(24)29-20-19(32-22(27)17-11-7-4-8-12-17)18(31-23(20)30-15(2)25)13-28-21(26)16-9-5-3-6-10-16/h3-12,18-20,23H,13H2,1-2H3/t18-,19-,20-,23-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC4=C(C=C3)NN=C4)CC5=CC=CC(=C5)CN6N=CC=N6)CC7=CC=CC=C7)O)O
InChI: InChI=1S/C37H37N7O3/c45-35-33(20-26-8-3-1-4-9-26)42(23-28-12-7-13-29(18-28)25-44-39-16-17-40-44)37(47)43(24-30-14-15-32-31(19-30)22-38-41-32)34(36(35)46)21-27-10-5-2-6-11-27/h1-19,22,33-36,45-46H,20-21,23-25H2,(H,38,41)/t33-,34-,35+,36+/m1/s1
SMILES: COC(=O)CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C27H37NO14/c1-38-17(30)9-3-2-6-10-39-26-18(28-24(36)13-7-4-5-8-14(13)25(28)37)21(33)20(32)16(42-26)12-40-27-23(35)22(34)19(31)15(11-29)41-27/h4-5,7-8,15-16,18-23,26-27,29,31-35H,2-3,6,9-12H2,1H3/t15-,16-,18-,19-,20-,21-,22+,23-,26-,27?/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)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCC6(CC5)OCCO6
InChI: InChI=1S/C34H35F5N2O6/c1-19-24(17-41-12-10-34(11-13-41)44-14-15-45-34)46-33(47-31(19)22-6-4-21(18-42)5-7-22)23-8-2-20(3-9-23)16-40-32(43)25-26(35)28(37)30(39)29(38)27(25)36/h2-9,19,24,31,33,42H,10-18H2,1H3,(H,40,43)/t19-,24+,31+,33+/m0/s1
SMILES: [C@H]12[C@H](O1)[C@H]3[C@H](O3)C([C@H]4[C@@H]2O4)Br
InChI: InChI=1S/C7H7BrO3/c8-1-2-4(9-2)6-7(11-6)5-3(1)10-5/h1-7H/t1?,2-,3+,4-,5+,6-,7+
SMILES: CN(C)CC1=CN(N=N1)C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC4=CC(=CC=C4)O
InChI: InChI=1S/C20H28N6O2/c1-24(2)10-16-11-26(23-22-16)12-17-8-14-6-7-25(17)13-19(14)20(28)21-15-4-3-5-18(27)9-15/h3-5,9,11,14,17,19,27H,6-8,10,12-13H2,1-2H3,(H,21,28)/t14-,17+,19-/m0/s1
SMILES: [C@@H]12[C@@H]([C@H](O[C@H]1C(=O)O)C(=O)O)C(C2(F)F)(F)F
InChI: InChI=1S/C8H6F4O5/c9-7(10)1-2(8(7,11)12)4(6(15)16)17-3(1)5(13)14/h1-4H,(H,13,14)(H,15,16)/t1-,2+,3-,4+
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)C)C(=O)N(C4=O)CCCC(=O)O)O
InChI: InChI=1S/C32H32N2O7/c1-17-8-6-11-21(27(17)37)26-19-13-14-20-25(30(40)33(28(20)38)15-7-12-24(35)36)22(19)16-23-29(39)34(31(41)32(23,26)2)18-9-4-3-5-10-18/h3-6,8-11,13,20,22-23,25-26,37H,7,12,14-16H2,1-2H3,(H,35,36)/t20-,22+,23-,25-,26+,32+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3
InChI: InChI=1S/C22H33N3O3S/c1-17-5-2-3-8-21(17)23-22(26)16-24-11-13-25(14-12-24)29(27,28)20-10-9-18-6-4-7-19(18)15-20/h9-10,15,17,21H,2-8,11-14,16H2,1H3,(H,23,26)/t17-,21-/m0/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO3S/c1-25-18-12-14-19(15-13-18)26(23,24)22-20(16-8-4-2-5-9-16)21(22)17-10-6-3-7-11-17/h2-15,20-21H,1H3/t20-,21-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)CCOCCOCCO
InChI: InChI=1S/C34H43N3O9/c1-2-43-32-26(10-16-41-18-19-42-17-15-38)27(24-8-9-28-29(20-24)45-23-44-28)21-30(46-32)31(39)36-13-11-34(12-14-36)33(40)35-22-37(34)25-6-4-3-5-7-25/h3-9,20-21,26-27,32,38H,2,10-19,22-23H2,1H3,(H,35,40)/t26-,27-,32-/m0/s1
SMILES: CCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4C=CN=C4)O)O)O)NCC(F)(F)F
InChI: InChI=1S/C18H23F3N7O6PS/c1-2-5-36-17-25-14(23-7-18(19,20)21)11-15(26-17)28(9-24-11)16-13(30)12(29)10(34-16)6-33-35(31,32)27-4-3-22-8-27/h3-4,8-10,12-13,16,29-30H,2,5-7H2,1H3,(H,31,32)(H,23,25,26)/t10-,12-,13-,16-/m1/s1
SMILES: C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@]1(C(=O)C[C@H]3[C@@H]2C(=O)C[C@H]4[C@@]3(CCC5(C4)OCCO5)C)C
InChI: InChI=1S/C26H38O6/c1-15(4-7-22(29)30)17-5-6-18-23-19(13-21(28)25(17,18)3)24(2)8-9-26(31-10-11-32-26)14-16(24)12-20(23)27/h15-19,23H,4-14H2,1-3H3,(H,29,30)/p-1/t15-,16+,17+,18+,19-,23+,24-,25+/m0/s1
SMILES: CCCCC[C@H]1[C@@H]([NH+]([C@@H](C[C@@]1(CCCC)O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C27H39NO/c1-4-6-10-19-24-26(23-17-13-9-14-18-23)28(3)25(22-15-11-8-12-16-22)21-27(24,29)20-7-5-2/h8-9,11-18,24-26,29H,4-7,10,19-21H2,1-3H3/p+1/t24-,25-,26-,27+/m0/s1
SMILES: C[C@H](C[C@H](C(=O)O)O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O
InChI: InChI=1S/C24H40O6/c1-13(10-19(27)21(28)29)24(30)9-6-17-20-16(5-8-23(17,24)3)22(2)7-4-15(25)11-14(22)12-18(20)26/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,20-,22+,23+,24+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C40H30Cl2F3N5O7/c1-18-13-20(14-19(2)33(18)51)32-26-11-12-27-31(37(54)48(35(27)52)24-7-9-25(10-8-24)50(56)57)28(26)16-29-36(53)49(38(55)39(29,32)21-3-5-23(41)6-4-21)47-34-30(42)15-22(17-46-34)40(43,44)45/h3-11,13-15,17,27-29,31-32,51H,12,16H2,1-2H3,(H,46,47)/t27-,28+,29-,31-,32-,39+/m0/s1
SMILES: CCC(C)[C@H]1C(=O)NCCCCCOC2=CC=C(C[C@@H](C(=O)N1)NC[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)C=C2
InChI: InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27?,31-,32+,35+,36-,37+,38+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C(OC1=O)(C)C)CC(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H20O5/c1-4-21-15(19)14-12(17(2,3)22-16(14)20)10-13(18)11-8-6-5-7-9-11/h5-9,12,14H,4,10H2,1-3H3/t12-,14+/m0/s1
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C23H28N2O3S/c1-17-6-10-21(11-7-17)24-29(27,28)22-12-8-19(9-13-22)23(26)25-15-14-18-4-2-3-5-20(18)16-25/h6-13,18,20,24H,2-5,14-16H2,1H3/t18-,20+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)Cl
InChI: InChI=1S/C23H30ClN5O4Si/c1-23(2,3)34(4,5)33-18-16(24)15(11-30)32-22(18)29-13-27-17-19(25-12-26-20(17)29)28-21(31)14-9-7-6-8-10-14/h6-10,12-13,15-16,18,22,30H,11H2,1-5H3,(H,25,26,28,31)/t15-,16+,18-,22-/m1/s1
SMILES: CN(C)CCCN1CC[C@@H]2[C@H](C1)[C@@H](C3=CC=CC=C23)C4=CC=CC=C4
InChI: InChI=1S/C23H30N2/c1-24(2)14-8-15-25-16-13-20-19-11-6-7-12-21(19)23(22(20)17-25)18-9-4-3-5-10-18/h3-7,9-12,20,22-23H,8,13-17H2,1-2H3/t20-,22-,23+/m0/s1
SMILES: CC(C)C(=O)NC1(CCCC1)CC(=O)N(C[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)C3=CC(=C(C=C3)OC)OCCCOC)C4CC4
InChI: InChI=1S/C35H56N4O6/c1-24(2)33(41)37-35(14-7-8-15-35)19-32(40)39(29-11-12-29)23-28-21-36-20-27(28)22-38(25(3)4)34(42)26-10-13-30(44-6)31(18-26)45-17-9-16-43-5/h10,13,18,24-25,27-29,36H,7-9,11-12,14-17,19-23H2,1-6H3,(H,37,41)/t27-,28-/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C21H19NO5/c1-27-17-10-13(21(25)26)9-16-14-3-2-4-15(14)18(22-19(16)17)11-5-7-12(8-6-11)20(23)24/h2-3,5-10,14-15,18,22H,4H2,1H3,(H,23,24)(H,25,26)/p-2/t14-,15+,18-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@H](C(=O)C3=CC=CC=C3)O)C(=O)OCC=C)C
InChI: InChI=1S/C19H21NO5S/c1-4-10-25-18(24)15-19(2,3)26-17-12(16(23)20(15)17)14(22)13(21)11-8-6-5-7-9-11/h4-9,12,14-15,17,22H,1,10H2,2-3H3/t12-,14-,15+,17-/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=C(C=C8)O)Cl)C(=O)N(C7=O)C9=CC=C(C=C9)NC1=CC=CC=C1)C
InChI: InChI=1S/C46H37Cl2N5O5S/c1-23-32-19-24(47)9-18-37(32)59-41(23)36-22-38(51(3)50-36)53-43(56)34-21-33-29(40(46(34,2)45(53)58)30-15-14-28(54)20-35(30)48)16-17-31-39(33)44(57)52(42(31)55)27-12-10-26(11-13-27)49-25-7-5-4-6-8-25/h4-16,18-20,22,31,33-34,39-40,49,54H,17,21H2,1-3H3/t31-,33+,34-,39-,40+,46+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@H]3[C@@H]4C5=CC=CC=[N+]5[C@H]([C@@H]2C6=CC=CC=[N+]36)C7=C4C=C(C=C7)OC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C28H24N2O2.2ClHO4/c1-31-17-9-11-19-21(15-17)25-23-7-3-5-13-29(23)27(19)26-22-16-18(32-2)10-12-20(22)28(25)30-14-6-4-8-24(26)30;2*2-1(3,4)5/h3-16,25-28H,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t25-,26-,27-,28-;;/m0../s1
SMILES: CC(=O)OC1=C(O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C
InChI: InChI=1S/C14H20O7/c1-7(15)17-10-9(8-6-16-13(2,3)19-8)18-12-11(10)20-14(4,5)21-12/h8,11-12H,6H2,1-5H3/t8-,11+,12+/m0/s1
SMILES: CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC(=O)N3CCC[C@@H]4[C@@H]3CCCC4)C
InChI: InChI=1S/C21H27N3O5/c1-3-28-21(27)17-13(2)29-19-18(17)20(26)23(12-22-19)11-16(25)24-10-6-8-14-7-4-5-9-15(14)24/h12,14-15H,3-11H2,1-2H3/t14-,15+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2OC(=N3)CNCC4=CC=CC=C4
InChI: InChI=1S/C19H26N2O/c1-18(2)14-9-10-19(18,3)17-16(14)21-15(22-17)12-20-11-13-7-5-4-6-8-13/h4-8,14,16-17,20H,9-12H2,1-3H3/t14-,16-,17-,19+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]2[C@]3([C@@H](CC[C@H]([C@@H]3[C@@]1(C)[C@@H]4C[C@H]5CCO[C@H]5O4)OC(=O)C)[C@@H](O2)OC(=O)/C=C/C6=CC=CC=C6)C)OC(=O)/C=C/C7=CC=CC=C7
InChI: InChI=1S/C40H46O9/c1-24-34(47-32(42)19-15-26-11-7-5-8-12-26)36-40(4)29(38(49-36)48-33(43)20-16-27-13-9-6-10-14-27)17-18-30(45-25(2)41)35(40)39(24,3)31-23-28-21-22-44-37(28)46-31/h5-16,19-20,24,28-31,34-38H,17-18,21-23H2,1-4H3/b19-15+,20-16+/t24-,28-,29+,30-,31+,34-,35-,36+,37+,38-,39-,40+/m1/s1
SMILES: CC(C)CC(=O)N[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C39H45NO6/c1-29(2)23-35(41)40-39-38(45-27-33-21-13-6-14-22-33)37(44-26-32-19-11-5-12-20-32)36(43-25-31-17-9-4-10-18-31)34(46-39)28-42-24-30-15-7-3-8-16-30/h3-22,29,34,36-39H,23-28H2,1-2H3,(H,40,41)/t34-,36+,37+,38-,39+/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C[C@@H]3[C@@H](C=C2)C(=O)N(C3=O)C)Cl
InChI: InChI=1S/C18H16ClN3O3S/c1-9-3-4-10(7-14(9)19)15(23)21-18(26)20-11-5-6-12-13(8-11)17(25)22(2)16(12)24/h3-8,12-13H,1-2H3,(H2,20,21,23,26)/t12-,13-/m1/s1
SMILES: CCCC[C@@H]1CN2CC(C3=CC(=C(C=C3[C@H]2C[C@@H]1N)OC)OC)(C)C
InChI: InChI=1S/C21H34N2O2/c1-6-7-8-14-12-23-13-21(2,3)16-10-20(25-5)19(24-4)9-15(16)18(23)11-17(14)22/h9-10,14,17-18H,6-8,11-13,22H2,1-5H3/t14-,17+,18-/m1/s1
SMILES: CC(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C20H21NO8/c1-11(22)21(14-9-7-13(8-10-14)12-5-3-2-4-6-12)29-20-17(25)15(23)16(24)18(28-20)19(26)27/h2-10,15-18,20,23-25H,1H3,(H,26,27)/t15-,16-,17+,18-,20-/m0/s1
SMILES: C[NH+]1CC[C@]23CC(=O)C(=C[C@@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC.[Cl-]
InChI: InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13-,19+;/m1./s1
SMILES: C[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C20H31N3O4S/c1-15-5-3-4-6-19(15)21-16(2)20(24)22-17-7-9-18(10-8-17)28(25,26)23-11-13-27-14-12-23/h7-10,15-16,19,21H,3-6,11-14H2,1-2H3,(H,22,24)/p+1/t15-,16-,19+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCN3[C@H]2C4=C(CC3)C5=CC=CC=C5O4
InChI: InChI=1S/C19H23NO/c1-2-6-14-13(5-1)9-11-20-12-10-16-15-7-3-4-8-17(15)21-19(16)18(14)20/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2/t13-,14-,18+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C19H25F3N2O.C7H8O3S/c1-23(16-6-2-3-7-17(16)24-12-4-5-13-24)18(25)14-8-10-15(11-9-14)19(20,21)22;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,16-17H,2-7,12-13H2,1H3;2-5H,1H3,(H,8,9,10)/t16-,17-;/m1./s1
SMILES: C/C=C/1\CCC[C@@]2([C@@]1([C@@H](CCC2)C#CC(=O)OC)O)OC
InChI: InChI=1S/C17H24O4/c1-4-13-7-5-11-16(21-3)12-6-8-14(17(13,16)19)9-10-15(18)20-2/h4,14,19H,5-8,11-12H2,1-3H3/b13-4+/t14-,16+,17+/m0/s1
SMILES: CCCO[C@]1(CC[C@]2([C@H](C1)CCC3C2CC[C@]4(C3CCC4=O)C)C)C(=O)C
InChI: InChI=1S/C24H38O3/c1-5-14-27-24(16(2)25)13-12-22(3)17(15-24)6-7-18-19-8-9-21(26)23(19,4)11-10-20(18)22/h17-20H,5-15H2,1-4H3/t17-,18?,19?,20?,22-,23-,24-/m0/s1
SMILES: C1[C@@H]2[C@@H](C(=O)N2C(=C(N1)OS(=O)(=O)C(F)(F)F)C(=O)O)NC(=O)CC3=CC=CC=C3
InChI: InChI=1S/C16H14F3N3O7S/c17-16(18,19)30(27,28)29-13-12(15(25)26)22-9(7-20-13)11(14(22)24)21-10(23)6-8-4-2-1-3-5-8/h1-5,9,11,20H,6-7H2,(H,21,23)(H,25,26)/t9-,11+/m1/s1
SMILES: CC(=O)NCCCC(=O)NC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)NC(C3=CC=C(C=C3)O)C(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O
InChI: InChI=1S/C34H36N6O9S/c1-17(41)35-16-4-5-24(43)36-20-10-6-18(7-11-20)23-15-14-22(28(44)37-23)29(45)38-25(19-8-12-21(42)13-9-19)30(46)39-26-31(47)40-27(33(48)49)34(2,3)50-32(26)40/h6-15,25-27,32,42H,4-5,16H2,1-3H3,(H,35,41)(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H,48,49)/t25?,26-,27+,32-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C19H29N3OS/c1-13-7-5-6-8-16(13)20-18(24)22-21-17(23)14-9-11-15(12-10-14)19(2,3)4/h9-13,16H,5-8H2,1-4H3,(H,21,23)(H2,20,22,24)/t13-,16-/m1/s1
SMILES: C1[C@@H](C(=O)N([C@H]1CC2=CC=CC=C2)C[C@H](C[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)CC6=CC=CC=C6
InChI: InChI=1S/C39H42N2O5/c42-33-17-15-28(16-18-33)19-30(38(45)40-37-35-14-8-7-13-29(35)24-36(37)44)23-34(43)25-41-32(21-27-11-5-2-6-12-27)22-31(39(41)46)20-26-9-3-1-4-10-26/h1-18,30-32,34,36-37,42-44H,19-25H2,(H,40,45)/t30-,31-,32-,34-,36+,37-/m0/s1
SMILES: C1=CSC(=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C17H12F6N2O3S/c18-16(19,20)9-5-3-8(4-6-9)12-11(13(26)10-2-1-7-29-10)15(28,17(21,22)23)25-14(27)24-12/h1-7,11-12,28H,(H2,24,25,27)/t11-,12+,15-/m0/s1
SMILES: C1CO[C@H]([C@@H](N1CC2=NC=NN2)C3=CC=CC=C3)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C22H20F6N4O2/c23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)12-34-20-19(15-4-2-1-3-5-15)32(6-7-33-20)11-18-29-13-30-31-18/h1-5,8-10,13,19-20H,6-7,11-12H2,(H,29,30,31)/t19-,20-/m0/s1
SMILES: CC1=CC(=NN1C)CN(CC2=CC3=C(C=C2)OCCO3)C(=O)[C@@H]4C[C@H]4C5=CC=CC=C5
InChI: InChI=1S/C25H27N3O3/c1-17-12-20(26-27(17)2)16-28(15-18-8-9-23-24(13-18)31-11-10-30-23)25(29)22-14-21(22)19-6-4-3-5-7-19/h3-9,12-13,21-22H,10-11,14-16H2,1-2H3/t21-,22+/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C14H18N2O3S/c15-20(18,19)12-5-3-11(4-6-12)16-14(17)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,16,17)(H2,15,18,19)/t9-,10-,13+/m0/s1
SMILES: CC[C@@H]1OC[C@@]2([C@@H](O1)CC[C@]3([C@H]2C[C@@H]([C@@]4([C@@H]3[C@H](C5=C(O4)C=C(OC5=O)C6=CN=CC=C6)O)C)O)C)C
InChI: InChI=1S/C28H35NO7/c1-5-21-33-14-27(3)18-12-19(30)28(4)24(26(18,2)9-8-20(27)35-21)23(31)22-17(36-28)11-16(34-25(22)32)15-7-6-10-29-13-15/h6-7,10-11,13,18-21,23-24,30-31H,5,8-9,12,14H2,1-4H3/t18-,19+,20+,21-,23+,24-,26+,27+,28-/m1/s1
SMILES: CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C18H23NO3.C12H22O12/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h4-9,12-13,19-22H,2-3,10-11H2,1H3;3-10,12-20H,1-2H2,(H,21,22)/t;3-,4-,5+,6+,7-,8-,9-,10-,12+/m.1/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=NC=NN5
InChI: InChI=1S/C30H33N5O4S/c1-2-31-29(37)32-16-20-8-14-24(15-9-20)28-38-25(18-40-30-33-19-34-35-30)26(22-6-4-3-5-7-22)27(39-28)23-12-10-21(17-36)11-13-23/h3-15,19,25-28,36H,2,16-18H2,1H3,(H2,31,32,37)(H,33,34,35)/t25-,26-,27+,28?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)P(=O)(OCCC=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H43FN3O11PSSi/c1-20-9-11-21(12-10-20)45(37,38)41-16-13-31(5)44(36,39-15-8-14-33)40-19-24-23(43-46(6,7)28(2,3)4)17-25(42-24)32-18-22(29)26(34)30-27(32)35/h9-12,14,18,23-25H,8,13,15-17,19H2,1-7H3,(H,30,34,35)/t23-,24+,25+,44?/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3OC(=O)C
InChI: InChI=1S/C21H27NO6/c1-12(2)26-21(25)19-16-10-9-14(22(16)4)11-18(19)28-20(24)15-7-5-6-8-17(15)27-13(3)23/h5-8,12,14,16,18-19H,9-11H2,1-4H3/t14-,16+,18-,19+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]1C2=CC(=C(C=C2)OC)OC)O
InChI: InChI=1S/C18H27NO5/c1-18(2,3)24-17(21)19-10-6-7-13(20)16(19)12-8-9-14(22-4)15(11-12)23-5/h8-9,11,13,16,20H,6-7,10H2,1-5H3/t13-,16-/m0/s1
SMILES: CCOCC(=O)N(CCC1=C(C=CC(=C1)OC)OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C31H41IN2O10/c1-5-43-18-28(37)34(10-8-20-14-22(40-2)6-7-25(20)41-3)24-15-21(31(39)33-9-11-35)16-26(29(24)38)44-30-23(32)12-19(17-36)13-27(30)42-4/h6-7,12-14,16,24,26,29,35-36,38H,5,8-11,15,17-18H2,1-4H3,(H,33,39)/t24-,26+,29+/m1/s1
SMILES: CCC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H](N3)CC(C)C)C(=O)N(C4=O)CCOC)C(=O)N2
InChI: InChI=1S/C22H29N3O4/c1-5-13-7-6-8-14-18(13)23-21(28)22(14)17-16(15(24-22)11-12(2)3)19(26)25(20(17)27)9-10-29-4/h6-8,12,15-17,24H,5,9-11H2,1-4H3,(H,23,28)/t15-,16-,17+,22+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H](C[C@@]23[C@@H]1CC4(C[C@@H]2CCNC3=O)OCCO4)/C=C\CCCC(=O)OC5=C(C(=C(C(=C5F)F)F)F)F
InChI: InChI=1S/C30H35F5N2O7/c1-28(2,3)44-27(40)37-17(7-5-4-6-8-19(38)43-25-23(34)21(32)20(31)22(33)24(25)35)14-30-16(9-10-36-26(30)39)13-29(15-18(30)37)41-11-12-42-29/h5,7,16-18H,4,6,8-15H2,1-3H3,(H,36,39)/b7-5-/t16-,17-,18-,30-/m0/s1
SMILES: CCCCCCCCCCCCC[C@@H]1[C@H]([C@@](C(=O)O1)(C)SC2=CC=CC=C2)[C@@H](CO)O
InChI: InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-23-24(22(28)20-27)26(2,25(29)30-23)31-21-17-14-13-15-18-21/h13-15,17-18,22-24,27-28H,3-12,16,19-20H2,1-2H3/t22-,23-,24-,26-/m1/s1
SMILES: CC1=CC=C(C=C1)[Si](C)(C)[C@H]2CC(=O)OC[C@H]2[Si](C)(C)C3=CC=C(C=C3)C
InChI: InChI=1S/C23H32O2Si2/c1-17-7-11-19(12-8-17)26(3,4)21-15-23(24)25-16-22(21)27(5,6)20-13-9-18(2)10-14-20/h7-14,21-22H,15-16H2,1-6H3/t21-,22+/m0/s1
SMILES: CC(C)(C)[C@@H]1CCCC[C@]1(CS(=N[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C33H45NO2SSi/c1-31(2,3)30-24-16-17-25-33(30,35)26-37(36,27-18-10-7-11-19-27)34-38(32(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30,35H,16-17,24-26H2,1-6H3/t30-,33+,37?/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@H]([C@@H]1OCC#C)I)C(=O)OC
InChI: InChI=1S/C14H20INO5/c1-6-7-20-11-9(15)8-10(12(17)19-5)16(11)13(18)21-14(2,3)4/h1,9-11H,7-8H2,2-5H3/t9-,10+,11+/m1/s1
SMILES: CC1(O[C@@H]2CO[C@]34COC(=O)N([C@@]3([C@@H]2O1)OC(O4)(C)C)C(=O)C=C)C
InChI: InChI=1S/C16H21NO8/c1-6-10(18)17-12(19)20-8-15-16(17,25-14(4,5)24-15)11-9(7-21-15)22-13(2,3)23-11/h6,9,11H,1,7-8H2,2-5H3/t9-,11-,15+,16+/m1/s1
SMILES: B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)CNC(=O)COCCOCCOC
InChI: InChI=1S/C24H43BN2O7/c1-16(2)11-20(25-33-19-13-17-12-18(23(17,3)4)24(19,5)34-25)27-21(28)14-26-22(29)15-32-10-9-31-8-7-30-6/h16-20H,7-15H2,1-6H3,(H,26,29)(H,27,28)/t17-,18-,19-,20+,24+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=C(C=C6OC)OC)O)C(=O)N(C5=O)CCC7=CC=C(C=C7)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C43H39Cl2N3O9/c1-55-26-11-6-23(7-12-26)43-31(40(52)48(42(43)54)46-33-15-8-24(44)18-32(33)45)21-30-28(38(43)37-34(50)19-27(56-2)20-35(37)57-3)13-14-29-36(30)41(53)47(39(29)51)17-16-22-4-9-25(49)10-5-22/h4-13,15,18-20,29-31,36,38,46,49-50H,14,16-17,21H2,1-3H3/t29-,30+,31-,36-,38+,43+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C=C(N(C2=S)C)[C@@H]3[C@@H]([C@@H](CO3)O)O
InChI: InChI=1S/C15H18N2O3S/c1-9-3-5-10(6-4-9)17-7-11(16(2)15(17)21)14-13(19)12(18)8-20-14/h3-7,12-14,18-19H,8H2,1-2H3/t12-,13-,14-/m1/s1
SMILES: C1[C@H]([C@@H](O[S@@](=O)O1)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+]
InChI: InChI=1S/C9H10N2O5S/c10-8-5-15-17(14)16-9(8)6-1-3-7(4-2-6)11(12)13/h1-4,8-9H,5,10H2/p+1/t8-,9+,17+/m1/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3C[NH+]4CCN(CC4)C(=O)C
InChI: InChI=1S/C21H32N2O3/c1-14-5-4-6-21(3)12-19-16(11-18(14)21)17(20(25)26-19)13-22-7-9-23(10-8-22)15(2)24/h16-17,19H,4-13H2,1-3H3/p+1/t16-,17-,19-,21-/m1/s1
SMILES: C1[C@H]([C@H](CN1CC2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H18N2O4/c21-18(22)17-12-19(10-13-4-2-1-3-5-13)11-16(17)14-6-8-15(9-7-14)20(23)24/h1-9,16-17H,10-12H2,(H,21,22)/t16-,17-/m0/s1
SMILES: C/C=C(\C)/C[C@H](C)[C@@H]([C@@H](C)[C@@H]1[C@@H]([C@@H](C[C@@]2(O1)[C@H](C[C@@H]([C@H](O2)[C@@H](C)[C@H]([C@@H](C)/C=C\C=C)O)C)O)OC)C)O
InChI: InChI=1S/C31H54O6/c1-11-13-14-19(4)27(33)23(8)29-21(6)16-26(32)31(36-29)17-25(35-10)22(7)30(37-31)24(9)28(34)20(5)15-18(3)12-2/h11-14,19-30,32-34H,1,15-17H2,2-10H3/b14-13-,18-12+/t19-,20-,21-,22+,23-,24+,25+,26-,27-,28-,29-,30-,31+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@H]1[C@@]2(C[C@H]([C@@H](C[C@@]2([C@H](O1)COC(=O)C(C)(C)C)O)S(=O)(=O)C3=CC=CC=C3)[Si](C)(C)C)O
InChI: InChI=1S/C29H46O9SSi/c1-26(2,3)24(30)36-17-22-28(32)15-20(39(34,35)19-13-11-10-12-14-19)21(40(7,8)9)16-29(28,33)23(38-22)18-37-25(31)27(4,5)6/h10-14,20-23,32-33H,15-18H2,1-9H3/t20-,21-,22-,23+,28+,29-/m1/s1
SMILES: COC(=O)[C@@H]1[C@@H]2C(=O)N(C[C@@H](O2)O1)CC3=CC=CC=C3
InChI: InChI=1S/C14H15NO5/c1-18-14(17)12-11-13(16)15(8-10(19-11)20-12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11+,12-/m0/s1
SMILES: CCCCC[C@@H](C#C[C@H]1C[C@@H]2OC[C@H]([C@@H]1O)O2)OC3CCCCO3
InChI: InChI=1S/C19H30O5/c1-2-3-4-7-15(23-17-8-5-6-11-21-17)10-9-14-12-18-22-13-16(24-18)19(14)20/h14-20H,2-8,11-13H2,1H3/t14-,15-,16+,17?,18+,19+/m0/s1
SMILES: CS(=O)(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)C2OCCO2)OS(=O)(=O)C)O
InChI: InChI=1S/C10H18O10S2/c1-21(12,13)18-5-6-7(11)8(20-22(2,14)15)9(19-6)10-16-3-4-17-10/h6-11H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCC(=O)CO)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-5-8-15(22)11-12-18-17(19(24)13-20(18)25)10-7-4-6-9-16(23)14-21/h4,7,11-12,15,17-22,24-25H,2-3,5-6,8-10,13-14H2,1H3/b7-4-,12-11+/t15-,17+,18+,19-,20+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COC(=O)C3=CC=CC=C3)NC(=O)C(F)(F)F
InChI: InChI=1S/C18H15F3IN3O6/c19-18(20,21)16(28)23-11-6-13(25-7-10(22)14(26)24-17(25)29)31-12(11)8-30-15(27)9-4-2-1-3-5-9/h1-5,7,11-13H,6,8H2,(H,23,28)(H,24,26,29)/t11-,12+,13+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C51H67ClN2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-47(56)53-45-22-18-21-42(36-45)50-58-46(37-54-34-32-51(57,33-35-54)43-28-30-44(52)31-29-43)48(40-19-15-14-16-20-40)49(59-50)41-26-24-39(38-55)25-27-41/h14-16,18-22,24-31,36,46,48-50,55,57H,2-13,17,23,32-35,37-38H2,1H3,(H,53,56)/t46-,48-,49+,50?/m1/s1
SMILES: C1[C@H](OC([C@@H]([C@H]1O)O)N2C3=C(C=C(C=C3)F)C4=C5C(=C6C7=C(C=CC(=C7)F)NC6=C42)C(=O)NC5=O)CF
InChI: InChI=1S/C26H18F3N3O5/c27-8-11-7-16(33)23(34)26(37-11)32-15-4-2-10(29)6-13(15)18-20-19(24(35)31-25(20)36)17-12-5-9(28)1-3-14(12)30-21(17)22(18)32/h1-6,11,16,23,26,30,33-34H,7-8H2,(H,31,35,36)/t11-,16-,23+,26?/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3
InChI: InChI=1S/C21H20FNO3/c1-2-26-21(25)20-18(14-7-4-3-5-8-14)12-17(13-19(20)24)23-16-10-6-9-15(22)11-16/h3-11,13,18,20,23H,2,12H2,1H3/t18-,20-/m0/s1
SMILES: CC(=O)OC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4)[N+](=O)[O-]
InChI: InChI=1S/C16H12N2O7/c1-7(19)24-10-3-2-8(6-9(10)18(22)23)17-15(20)13-11-4-5-12(25-11)14(13)16(17)21/h2-6,11-14H,1H3/t11-,12+,13-,14+