EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN1C[C@@]23CO[C@@H]4[C@H]2[C@@]5(C1[C@@H]4[C@]6(C[C@@H]([C@H]7C[C@@H]5[C@@H]6[C@H]7OC(=O)C8=CC(=C(C=C8)OC)OC)OC(=O)C)O)[C@H](C[C@H]3OC(=O)C)OC
InChI: InChI=1S/C35H45NO11/c1-7-36-14-33-15-44-29-27-31(36)35(30(29)33,25(43-6)12-24(33)46-17(3)38)20-11-19-23(45-16(2)37)13-34(27,40)26(20)28(19)47-32(39)18-8-9-21(41-4)22(10-18)42-5/h8-10,19-20,23-31,40H,7,11-15H2,1-6H3/t19-,20-,23+,24-,25+,26-,27-,28+,29+,30-,31?,33+,34-,35+/m1/s1
SMILES: C1=CC=C(C=C1)S(=O)C2[C@H]3[C@@H]2C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C21H16OS/c22-23(14-8-2-1-3-9-14)21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)21/h1-13,19-21H/t19-,20+,21?,23?
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[Si]2(CCC2)C(C)C(=O)SC(C)(C)C)C(C)C
InChI: InChI=1S/C20H38O2SSi/c1-14(2)17-10-9-15(3)13-18(17)22-24(11-8-12-24)16(4)19(21)23-20(5,6)7/h14-18H,8-13H2,1-7H3/t15-,16?,17+,18-/m1/s1
SMILES: C1COC2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC(=CC=C4)F)C#N
InChI: InChI=1S/C15H11FN4O2/c16-10-3-1-2-9(6-10)11-13(7-17)12(19)20-15(14(11,13)8-18)21-4-5-22-15/h1-3,6,11H,4-5H2,(H2,19,20)/p+1/t11-,13-,14-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CN=[N+]=[N-])CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O[Si](C)(C)C(C)(C)C)CC(=O)O
InChI: InChI=1S/C34H54N8O11Si2/c1-33(2,3)54(7,8)52-27-19(22(18-37-40-35)51-29(27)41-13-11-23(43)38-31(41)48)15-25(45)36-17-21-20(16-26(46)47)28(53-55(9,10)34(4,5)6)30(50-21)42-14-12-24(44)39-32(42)49/h11-14,19-22,27-30H,15-18H2,1-10H3,(H,36,45)(H,46,47)(H,38,43,48)(H,39,44,49)/t19-,20-,21-,22-,27-,28-,29-,30-/m1/s1
SMILES: CN(C)CC1=CC=C(C2=CC=CC=C12)C3=C4C[C@@H]5C[C@@H]6[C@H](C(=O)C(C(=O)[C@@]6(C(=O)C5C(=O)C4=C(C=C3)O)O)C(=O)N)N(C)C
InChI: InChI=1S/C34H35N3O7/c1-36(2)15-16-9-10-20(19-8-6-5-7-18(16)19)21-11-12-24(38)26-22(21)13-17-14-23-28(37(3)4)30(40)27(33(35)43)32(42)34(23,44)31(41)25(17)29(26)39/h5-12,17,23,25,27-28,38,44H,13-15H2,1-4H3,(H2,35,43)/t17-,23-,25?,27?,28-,34-/m1/s1
SMILES: CN1C=C(C(=N1)CN(CC2=CN=CC=C2)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4)Cl
InChI: InChI=1S/C21H21ClN4O/c1-25-13-19(22)20(24-25)14-26(12-15-6-5-9-23-11-15)21(27)18-10-17(18)16-7-3-2-4-8-16/h2-9,11,13,17-18H,10,12,14H2,1H3/t17-,18+/m0/s1
SMILES: COC(=O)C1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CC4=CNC5=CC=CC=C54
InChI: InChI=1S/C19H21N5O4/c1-26-19(25)14-8-24(23-22-14)16-10-28-17-15(9-27-18(16)17)21-7-11-6-20-13-5-3-2-4-12(11)13/h2-6,8,15-18,20-21H,7,9-10H2,1H3/p+1/t15-,16-,17+,18+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)C
InChI: InChI=1S/C18H20ClN3O3/c1-3-4-8-22-15(23)12-9(2)21-18(13(12)16(22)24)10-6-5-7-11(19)14(10)20-17(18)25/h5-7,9,12-13,21H,3-4,8H2,1-2H3,(H,20,25)/t9-,12+,13-,18+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=CC=C2)Br
InChI: InChI=1S/C17H22BrNO3/c1-11-5-3-8-15(12(11)2)19-16(20)10-22-17(21)13-6-4-7-14(18)9-13/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,19,20)/t11-,12+,15-/m1/s1
SMILES: CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)C(=O)[C@@H]4C[C@H]5CC[C@@H]4N5CC6=CC=CC=C6)C
InChI: InChI=1S/C24H32N2O3S/c1-23(2)17-10-11-24(23)15-30(28,29)26(21(24)12-17)22(27)19-13-18-8-9-20(19)25(18)14-16-6-4-3-5-7-16/h3-7,17-21H,8-15H2,1-2H3/t17-,18+,19+,20-,21-,24-/m0/s1
SMILES: CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H25NO3/c1-13-17-11-16(23-2)7-8-18(17)24-19(13)20(22)21-10-9-14-5-3-4-6-15(14)12-21/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-,15-/m1/s1
SMILES: C[C@]1(CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)COS(=O)(=O)C)C)C=C
InChI: InChI=1S/C21H34O3S/c1-6-19(2)13-10-17-16(14-19)8-9-18-20(3,15-24-25(5,22)23)11-7-12-21(17,18)4/h6,14,17-18H,1,7-13,15H2,2-5H3/t17-,18?,19+,20-,21+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@H]([C@@H]([C@H](N(C[C@@H](C[C@]2(C)O)C)C)C)O)C)C(C)C)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O)N(C)C
InChI: InChI=1S/C39H74N2O11/c1-20(2)32-23(5)30(42)26(8)41(14)19-21(3)17-38(10,46)35(52-37-31(43)28(40(12)13)16-22(4)48-37)24(6)33(25(7)36(45)51-32)50-29-18-39(11,47-15)34(44)27(9)49-29/h20-35,37,42-44,46H,16-19H2,1-15H3/t21-,22-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,37+,38+,39-/m1/s1
SMILES: C[C@H]([C@H](C[C@@H]1CC=C[C@H](O1)C[C@@H]2[C@H](O2)CO)OC)C(C)O
InChI: InChI=1S/C16H28O5/c1-10(11(2)18)14(19-3)7-12-5-4-6-13(20-12)8-15-16(9-17)21-15/h4,6,10-18H,5,7-9H2,1-3H3/t10-,11?,12-,13-,14-,15+,16+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@@H]2O1)O)OC)CO)C
InChI: InChI=1S/C10H18O6/c1-10(2)15-7-5(4-11)14-9(13-3)6(12)8(7)16-10/h5-9,11-12H,4H2,1-3H3/t5-,6-,7+,8+,9+/m1/s1
SMILES: C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]
InChI: InChI=1S/C21H23N3O5/c1-21-10-4-3-5-16(21)19(21)20(25)23-22-12-14-7-9-18(29-14)15-8-6-13(28-2)11-17(15)24(26)27/h6-9,11-12,16,19H,3-5,10H2,1-2H3,(H,23,25)/b22-12+/t16-,19+,21+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN4C(=CC(=[N+]4C3)C)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C18H23N3O4S/c1-8-5-9(2)20-7-12(6-19(8)20)26-16-10(3)14-13(11(4)22)17(23)21(14)15(16)18(24)25/h5,10-14,22H,6-7H2,1-4H3/p+1/t10-,11-,13-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)C2=NO[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H16N2O5/c1-11-3-5-12(6-4-11)17(23)16-15-18(27-21-16)20(25)22(19(15)24)13-7-9-14(26-2)10-8-13/h3-10,15,18H,1-2H3/t15-,18-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@@H]4[C@H]2CC(=O)O4)(CO[C@H](O3)CN)C
InChI: InChI=1S/C17H27NO4/c1-16-6-5-13-17(2,9-20-15(8-18)22-13)12(16)4-3-11-10(16)7-14(19)21-11/h10-13,15H,3-9,18H2,1-2H3/t10-,11-,12+,13-,15-,16+,17-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)S(=O)(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C12H25NO4SSi/c1-8(17-19(6,7)12(2,3)4)9-10(14)13-11(9)18(5,15)16/h8-9,11H,1-7H3,(H,13,14)/t8-,9+,11-/m1/s1
SMILES: CC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI: InChI=1S/C19H14BrN3O3/c1-11(24)16-15-17(23(21-16)14-5-3-2-4-6-14)19(26)22(18(15)25)13-9-7-12(20)8-10-13/h2-10,15,17H,1H3/t15-,17-/m0/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)(C)C)OC(=O)/C=C/C7=CC(=C(C=C7)O)O
InChI: InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32?,37?,38?,39-,45-,46+,47-,48-/m0/s1
SMILES: CCOC(=O)N(CC1=C(C=C(C=C1)OC)OC)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC(=C(C=C7)F)F)C)O
InChI: InChI=1S/C41H49F2NO7/c1-6-51-36(47)44(23-26-7-9-28(49-4)20-32(26)50-5)24-40(48)16-13-34-38(40,3)15-12-33-37(2)14-11-27(45)21-39(37)17-18-41(33,34)29(22-39)35(46)25-8-10-30(42)31(43)19-25/h7-10,17-20,22,27,33-34,45,48H,6,11-16,21,23-24H2,1-5H3/t27?,33-,34-,37-,38+,39+,40-,41-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C(S3)NC(=O)CC(C)(C)C)(C)CO)O
InChI: InChI=1S/C32H47N3O6S/c1-30(2,3)17-27(39)34-29-35-28-20(15-26(38)33-13-11-19-8-9-21(40-6)22(14-19)41-7)31(4)12-10-25(37)32(5,18-36)24(31)16-23(28)42-29/h8-9,14,20,24-25,36-37H,10-13,15-18H2,1-7H3,(H,33,38)(H,34,35,39)/t20-,24+,25-,31+,32+/m1/s1
SMILES: C[C@@H](CCOCC1=CC=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-]
InChI: InChI=1S/C30H43N9O11/c1-20(13-17-45-19-21-9-11-22(44-2)12-10-21)46-30-29(50-26(43)8-5-16-36-39-33)28(49-25(42)7-4-15-35-38-32)27(23(18-40)47-30)48-24(41)6-3-14-34-37-31/h9-12,20,23,27-30,40H,3-8,13-19H2,1-2H3/t20-,23+,27+,28-,29+,30+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3[C@@H]5[C@H](C=C4)OC(=O)O5
InChI: InChI=1S/C19H12O3/c20-19-21-16-10-7-12-6-8-14-13-4-2-1-3-11(13)5-9-15(14)17(12)18(16)22-19/h1-10,16,18H/t16-,18-/m0/s1
SMILES: C[C@H](/C=C/C1=CC=C(C=C1)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C29H39ClO2/c1-18(4-5-19-6-8-20(30)9-7-19)23-10-11-24-22-17-27(32)26-16-21(31)12-14-29(26,3)25(22)13-15-28(23,24)2/h4-9,18,21-26,31H,10-17H2,1-3H3/b5-4+/t18-,21-,22+,23-,24+,25+,26-,28-,29-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@H]3C[C@H]2[C@H](C3)SC
InChI: InChI=1S/C15H20O3S2/c1-10-3-5-12(6-4-10)20(16,17)18-14-8-11-7-13(14)15(9-11)19-2/h3-6,11,13-15H,7-9H2,1-2H3/t11-,13+,14+,15-/m0/s1
SMILES: C1[C@H]([C@@H](C=C[C@]1(C(=O)O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)O
InChI: InChI=1S/C14H15NO7/c16-11-5-6-14(13(18)19,7-12(11)17)22-8-9-1-3-10(4-2-9)15(20)21/h1-6,11-12,16-17H,7-8H2,(H,18,19)/t11-,12-,14+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]3[C@H](O[C@@H]2C4COC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C19H26O8S/c1-11-6-8-12(9-7-11)28(20,21)27-15-14(13-10-22-18(2,3)24-13)23-17-16(15)25-19(4,5)26-17/h6-9,13-17H,10H2,1-5H3/t13?,14-,15+,16-,17-/m1/s1
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)N[C@H]3[C@@H]4C[C@H]([C@H]3C(=O)N5CCC[C@H]5C(=O)OC(C)(C)C)C=C4
InChI: InChI=1S/C39H55N5O8/c1-23(2)20-28(36(48)51-22-25-12-8-7-9-13-25)41-33(45)24(3)40-34(46)29-14-10-19-44(29)38(50)42-32-27-17-16-26(21-27)31(32)35(47)43-18-11-15-30(43)37(49)52-39(4,5)6/h7-9,12-13,16-17,23-24,26-32H,10-11,14-15,18-22H2,1-6H3,(H,40,46)(H,41,45)(H,42,50)/t24-,26+,27-,28-,29-,30-,31+,32-/m0/s1
SMILES: CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C21H27N3O2S/c1-14-11-18(24-26-14)13-27-21-19(7-4-10-22-21)20(25)23-17-9-8-15-5-2-3-6-16(15)12-17/h4,7,10-11,15-17H,2-3,5-6,8-9,12-13H2,1H3,(H,23,25)/t15-,16-,17+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)[Se]C5=CC=CC=C5
InChI: InChI=1S/C33H36N2O6SeSi/c1-23(36)40-29-30(42-24-14-8-5-9-15-24)27(41-31(29)35-21-20-28(37)34-32(35)38)22-39-43(33(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-21,27,29-31H,22H2,1-4H3,(H,34,37,38)/t27-,29+,30-,31-/m1/s1
SMILES: CCOC1=CC(=C(C=C1)N[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C13H18N2O7/c1-2-21-7-3-4-8(9(5-7)15(19)20)14-13-12(18)11(17)10(16)6-22-13/h3-5,10-14,16-18H,2,6H2,1H3/t10-,11+,12-,13-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C
InChI: InChI=1S/C20H29N3O4S/c1-15-6-3-4-9-19(15)21-20(25)17-7-5-8-18(14-17)28(26,27)23-12-10-22(11-13-23)16(2)24/h5,7-8,14-15,19H,3-4,6,9-13H2,1-2H3,(H,21,25)/t15-,19+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C
InChI: InChI=1S/C19H28N2O4S/c1-14-7-8-16(26(23,24)21-9-11-25-12-10-21)13-17(14)19(22)20-18-6-4-3-5-15(18)2/h7-8,13,15,18H,3-6,9-12H2,1-2H3,(H,20,22)/t15-,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI: InChI=1S/C18H20F3N3O4/c1-11-4-2-3-9-17(11)15(26)24(16(27)23-17)10-14(25)22-12-5-7-13(8-6-12)28-18(19,20)21/h5-8,11H,2-4,9-10H2,1H3,(H,22,25)(H,23,27)/t11-,17-/m0/s1
SMILES: C1CSC2=C(S1)SC(=C3SC4=C(S3)SC[C@@H]([C@H](CS4)O)O)S2
InChI: InChI=1S/C12H12O2S8/c13-5-3-17-9-10(18-4-6(5)14)22-12(21-9)11-19-7-8(20-11)16-2-1-15-7/h5-6,13-14H,1-4H2/t5-,6-/m0/s1
SMILES: C[C@]1([C@H]2[C@@H]([C@@H](O1)COS(=O)(=O)C)OC(O2)(C)C)O
InChI: InChI=1S/C10H18O7S/c1-9(2)16-7-6(5-14-18(4,12)13)15-10(3,11)8(7)17-9/h6-8,11H,5H2,1-4H3/t6-,7+,8+,10-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C19H26N7O18P3/c1-8-5-26(19(32)22-16(8)30)13-4-9(23-24-20)10(41-13)6-39-45(33,34)43-47(37,38)44-46(35,36)40-7-11-14(28)15(29)17(42-11)25-3-2-12(27)21-18(25)31/h2-3,5,9-11,13-15,17,28-29H,4,6-7H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,21,27,31)(H,22,30,32)/t9-,10+,11+,13-,14+,15+,17+/m0/s1
SMILES: CO[C@@H]1[C@H](N(C1=O)C2=CC=C(C=C2)OC)[C@H](C3=NC=CS3)O
InChI: InChI=1S/C15H16N2O4S/c1-20-10-5-3-9(4-6-10)17-11(13(21-2)15(17)19)12(18)14-16-7-8-22-14/h3-8,11-13,18H,1-2H3/t11-,12-,13-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=C(C=C4)CN5[C@H]6C(=O)O[C@@H]7C[C@]6([C@H](O5)[C@@H]8[C@H]7OCO8)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCC1O2
InChI: InChI=1S/C44H61N3O11/c1-41(2,3)57-34(50)14-12-28(23-48)46-33(49)16-18-45-40(52)44-21-31-35-36(54-24-53-35)38(44)58-47(37(44)39(51)55-31)22-26-9-7-25(8-10-26)19-27-11-13-32-43(6,56-32)17-15-30-29(27)20-42(30,4)5/h7-10,19,28-32,35-38,48H,11-18,20-24H2,1-6H3,(H,45,52)(H,46,49)/t28-,29+,30+,31+,32?,35-,36-,37-,38+,43+,44-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@H]([C@@]3([C@@](C[C@@H]([C@@H]([C@]3([C@H]1OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)O)OC2(C)C)OC(=O)C
InChI: InChI=1S/C40H42O12/c1-23(41)47-30-29-32(48-24(2)42)40(52-37(29,3)4)38(5,46)22-28(49-34(43)25-16-10-7-11-17-25)31(50-35(44)26-18-12-8-13-19-26)39(40,6)33(30)51-36(45)27-20-14-9-15-21-27/h7-21,28-33,46H,22H2,1-6H3/t28-,29+,30-,31-,32+,33-,38-,39-,40-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C=C(C=N6)C8=CC=C(C=C8)F
InChI: InChI=1S/C29H27FN2O3/c30-21-6-3-17(4-7-21)20-11-19-13-29(34)23-12-18-5-8-22(33)26-24(18)28(29,27(35-26)25(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,23,27,33-34H,1-2,9-10,12-13,15H2/t23-,27+,28+,29-/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C15H20N2O3S/c1-10(18)16-13-4-6-14(7-5-13)21(19,20)17-15-9-11-2-3-12(15)8-11/h4-7,11-12,15,17H,2-3,8-9H2,1H3,(H,16,18)/t11-,12-,15-/m0/s1
SMILES: C[C@@H]1[C@](C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)C)C)O)(C)/C=C/C=C(\C)/CO
InChI: InChI=1S/C22H24O5/c1-11(10-23)7-6-8-22(5)14(4)27-21-17-15(9-16(24)18(21)22)19(25)12(2)13(3)20(17)26/h6-9,14,23-24H,10H2,1-5H3/b8-6+,11-7+/t14-,22+/m1/s1
SMILES: CC1([C@@H]2C[C@@H]([C@H]([C@H]1C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C/C=C\CCCC(=O)O)C
InChI: InChI=1S/C27H34N2O3/c1-27(2)21-17-20(9-5-3-4-6-10-24(30)31)25(23(27)18-21)28-26(32)19-11-13-22(14-12-19)29-15-7-8-16-29/h3,5,7-8,11-16,20-21,23,25H,4,6,9-10,17-18H2,1-2H3,(H,28,32)(H,30,31)/b5-3-/t20-,21+,23+,25+/m0/s1
SMILES: CCCCCCCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C30H37Cl2IN2O5/c1-2-3-4-5-6-11-28(37)35(19-20-12-13-22(31)18-23(20)32)25-16-21(30(39)34-14-15-36)17-27(29(25)38)40-26-10-8-7-9-24(26)33/h7-10,12-13,17-18,25,27,29,36,38H,2-6,11,14-16,19H2,1H3,(H,34,39)/t25-,27+,29+/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC(=C(C=C3)O)OC)(C)C(=O)OC
InChI: InChI=1S/C18H22N2O6/c1-5-20-15(22)12-13(16(20)23)18(2,17(24)26-4)19-14(12)9-6-7-10(21)11(8-9)25-3/h6-8,12-14,19,21H,5H2,1-4H3/p+1/t12-,13-,14-,18+/m0/s1
SMILES: COC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6+,7-,10-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4
InChI: InChI=1S/C21H28N4O2S/c26-19(24-12-11-17-8-4-5-9-18(17)14-24)15-28-21-23-22-20(27)25(21)13-10-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,22,27)/t17-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)F
InChI: InChI=1S/C19H28FN3O2/c1-13-5-4-6-17(14(13)2)22-19(25)12-23(3)11-18(24)21-16-9-7-15(20)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14+,17-/m1/s1
SMILES: COCCC1=CC=C(C=C1)OC[C@@H]2[C@@H]3[C@@H]([C@H](OCO2)COC4=CC=C(C=C4)CCOC)OC(O3)OC
InChI: InChI=1S/C27H36O9/c1-28-14-12-19-4-8-21(9-5-19)31-16-23-25-26(36-27(30-3)35-25)24(34-18-33-23)17-32-22-10-6-20(7-11-22)13-15-29-2/h4-11,23-27H,12-18H2,1-3H3/t23-,24-,25-,26-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3C1[C@@H]4CC(C[C@]4(CC3)C)CC5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C27H38ClNO/c1-17-13-23-27(3,12-10-24(30)29(23)4)21-9-11-26(2)16-19(15-22(26)25(17)21)14-18-5-7-20(28)8-6-18/h5-8,17,19,21-23,25H,9-16H2,1-4H3/t17-,19?,21-,22-,23+,25?,26+,27+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C22H17NO5/c24-21-19-12-1-2-13(9-12)20(19)22(25)23(21)14-3-5-15(6-4-14)28-16-7-8-17-18(10-16)27-11-26-17/h1-8,10,12-13,19-20H,9,11H2/t12-,13+,19-,20+
SMILES: CC1=CC=CC=C1OCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C17H16N2O5/c1-9-4-2-3-5-10(9)23-8-13(20)18-19-16(21)14-11-6-7-12(24-11)15(14)17(19)22/h2-7,11-12,14-15H,8H2,1H3,(H,18,20)/t11-,12+,14-,15+
SMILES: CO[C@H]1CCCC[C@]1(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C30H39N3O4/c1-37-26-19-11-12-20-30(26,33-27(34)23-15-7-3-8-16-23)29(36)32-25(21-22-13-5-2-6-14-22)28(35)31-24-17-9-4-10-18-24/h2-3,5-8,13-16,24-26H,4,9-12,17-21H2,1H3,(H,31,35)(H,32,36)(H,33,34)/t25-,26-,30-/m0/s1
SMILES: CCCCCCCC(=O)N(CC1=CC=C(C=C1)C)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C33H44N2O7/c1-4-5-6-7-8-9-28(38)35(19-22-12-10-21(2)11-13-22)26-18-25(33(40)34-14-15-36)29-24-16-23(20-37)17-27(41-3)31(24)42-32(29)30(26)39/h10-13,16-18,26,29-30,32,36-37,39H,4-9,14-15,19-20H2,1-3H3,(H,34,40)/t26-,29+,30+,32+/m1/s1
SMILES: C1CCC(C1)N2C(=O)[C@@H]3[C@@H](N[C@@]4([C@H]3C2=O)C5=CC=CC=C5NC4=O)CC6=CC=CC=C6
InChI: InChI=1S/C25H25N3O3/c29-22-20-19(14-15-8-2-1-3-9-15)27-25(17-12-6-7-13-18(17)26-24(25)31)21(20)23(30)28(22)16-10-4-5-11-16/h1-3,6-9,12-13,16,19-21,27H,4-5,10-11,14H2,(H,26,31)/t19-,20+,21+,25+/m0/s1
SMILES: C[C@@H]1[C@H](OC(O1)(CNC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C3=CC=C(C=C3)OP(=O)(O)O)C
InChI: InChI=1S/C25H35N2O7P/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(28)26-14-25(32-17(5)18(6)33-25)19-10-12-20(13-11-19)34-35(29,30)31/h7-13,15-18H,14H2,1-6H3,(H2,26,27,28)(H2,29,30,31)/t17-,18-/m1/s1
SMILES: C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)OC(=O)C(=C)C(CO)OC)C(=C)C(=O)O2
InChI: InChI=1S/C21H28O6/c1-12-7-6-8-13(2)10-17-19(15(4)21(24)27-17)16(9-12)26-20(23)14(3)18(11-22)25-5/h7,10,16-19,22H,3-4,6,8-9,11H2,1-2,5H3/b12-7+,13-10+/t16-,17-,18?,19-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]1C7=CC(=C(C=C7)O)OC)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C39H38N6O9/c1-39-24(34(47)44(36(39)49)22-9-7-6-8-10-22)18-27-23(33(39)21-11-12-29(46)30(17-21)52-3)13-16-43-37(50)42(38(51)45(27)43)15-14-25-35(48)41(2)28-20-32(54-5)31(53-4)19-26(28)40-25/h6-13,17,19-20,24,27,33,46H,14-16,18H2,1-5H3/t24-,27+,33-,39+/m0/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-/m0/s1
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)CN2C(=O)[C@@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C17H27N3O5S/c1-3-19(13-7-9-26(24,25)11-13)14(21)10-20-15(22)17(18-16(20)23)8-5-4-6-12(17)2/h12-13H,3-11H2,1-2H3,(H,18,23)/t12-,13-,17+/m1/s1
SMILES: C1CCN(CC1)C2=NC(=O)C=CN2[C@H]3[C@@H]4[C@@H](O4)[C@H](O3)CO
InChI: InChI=1S/C14H19N3O4/c18-8-9-11-12(21-11)13(20-9)17-7-4-10(19)15-14(17)16-5-2-1-3-6-16/h4,7,9,11-13,18H,1-3,5-6,8H2/t9-,11+,12+,13-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@H]1C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4C5(OCCO5)C)C)O)O)OCOC
InChI: InChI=1S/C25H42O6/c1-23-8-7-16(29-14-28-4)11-15(23)12-19(26)22-17-5-6-20(25(3)30-9-10-31-25)24(17,2)21(27)13-18(22)23/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20-,21-,22-,23-,24-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O5/c1-12-6-8-13(9-7-12)20-16(22)11-26-17(23)10-21-18(24)14-4-2-3-5-15(14)19(21)25/h6-9,14-15H,2-5,10-11H2,1H3,(H,20,22)/t14-,15+
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CS2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O)C)O[Si](CC)(CC)CC)C)OC(=O)C
InChI: InChI=1S/C41H64O9SSi2/c1-12-52(13-2,14-3)49-30-23-31-40(25-51-31,48-27(8)42)34-36(47-37(45)28-21-19-18-20-22-28)41(46)24-29(43)26(7)32(38(41,9)10)33(35(44)39(30,34)11)50-53(15-4,16-5)17-6/h18-22,29-31,33-34,36,43,46H,12-17,23-25H2,1-11H3/t29-,30-,31+,33+,34-,36-,39+,40-,41+/m0/s1
SMILES: C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H25NO5/c25-20(17-10-9-15-5-1-2-6-16(15)13-17)14-29-21(26)11-12-24-22(27)18-7-3-4-8-19(18)23(24)28/h3-4,9-10,13,18-19H,1-2,5-8,11-12,14H2/t18-,19-/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)/C=C/[C@@H](CC)C(C)C)C)C
InChI: InChI=1S/C43H74O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-41(44)45-36-27-29-42(6)35(31-36)23-24-37-39-26-25-38(43(39,7)30-28-40(37)42)33(5)21-22-34(9-2)32(3)4/h21-23,32-34,36-40H,8-20,24-31H2,1-7H3/b22-21+/t33-,34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC=C(C=C7)NC8=CC=CC=C8)O
InChI: InChI=1S/C40H35N3O5/c1-23-21-24(13-20-33(23)44)35-29-18-19-30-34(31(29)22-32-37(46)43(39(48)40(32,35)2)27-11-7-4-8-12-27)38(47)42(36(30)45)28-16-14-26(15-17-28)41-25-9-5-3-6-10-25/h3-18,20-21,30-32,34-35,41,44H,19,22H2,1-2H3/t30-,31+,32-,34-,35-,40+/m0/s1
SMILES: CCCCC#C[C@]12[C@@H]3[C@H]1C4=CC=CC=C4S(=O)(=O)N2C3
InChI: InChI=1S/C16H17NO2S/c1-2-3-4-7-10-16-13-11-17(16)20(18,19)14-9-6-5-8-12(14)15(13)16/h5-6,8-9,13,15H,2-4,11H2,1H3/t13-,15+,16-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C26H24N2O6/c1-31-19-14-16(15-20(32-2)23(19)33-3)22-21-24(34-28(22)18-12-8-5-9-13-18)26(30)27(25(21)29)17-10-6-4-7-11-17/h4-15,21-22,24H,1-3H3/t21-,22-,24-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3
InChI: InChI=1S/C17H23N5OS/c1-11-4-3-5-14(12(11)2)19-15(23)10-24-17-20-16(21-22-17)13-6-8-18-9-7-13/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,19,23)(H,20,21,22)/t11-,12+,14-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CCCC2=O)C)OCOCCOC
InChI: InChI=1S/C22H40O4/c1-16(2)8-6-9-17(3)18-14-20(26-15-25-13-12-24-5)21-19(23)10-7-11-22(18,21)4/h16-18,20-21H,6-15H2,1-5H3/t17-,18-,20+,21-,22-/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)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)OCCC=C
InChI: InChI=1S/C45H60FN3O8/c1-4-7-26-54-44(52)49(31-32-14-16-34(46)17-15-32)41-30-39(47-56-6-3)37-28-33(12-8-10-23-50)36(13-9-11-24-51)42-38-29-35(53-27-22-48-20-21-48)18-19-40(38)57-45(41,43(37)42)55-25-5-2/h4-5,14-19,28-29,33,36,41-43,50-51H,1-2,6-13,20-27,30-31H2,3H3/t33-,36+,41-,42+,43+,45+/m0/s1
SMILES: CC(=O)NCCCOCC1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CSC=C3)CC4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C27H37Cl2N3O2S/c1-20(33)30-8-2-11-34-18-21-5-9-31(10-6-21)15-24-16-32(17-26(24)23-7-12-35-19-23)14-22-3-4-25(28)13-27(22)29/h3-4,7,12-13,19,21,24,26H,2,5-6,8-11,14-18H2,1H3,(H,30,33)/t24-,26+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)C(F)(F)F)CC4=CC(=CC=C4)C(F)(F)F)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C35H32F6N2O3/c36-34(37,38)27-15-7-13-25(17-27)21-42-29(19-23-9-3-1-4-10-23)31(44)32(45)30(20-24-11-5-2-6-12-24)43(33(42)46)22-26-14-8-16-28(18-26)35(39,40)41/h1-18,29-32,44-45H,19-22H2/t29-,30-,31+,32+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=C3CCC(=O)C4
InChI: InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h12-13,15H,2-9H2,1H3/t12-,13-,15+,18+/m1/s1
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC
InChI: InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21+,22-,23?,24-,25+,26-,27+,28+,31-,32+,33+,34-,35-,36+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2=CC=CC=C2O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCOCCOCCO
InChI: InChI=1S/C31H39N3O8/c1-4-41-31-23(14-16-39-18-19-40-17-15-35)24(20-27(42-31)29(37)32-25-12-8-9-13-26(25)36)28-21(2)33(3)34(30(28)38)22-10-6-5-7-11-22/h5-13,20,23-24,31,35-36H,4,14-19H2,1-3H3,(H,32,37)/t23-,24+,31-/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C41H43N5O9/c1-27-36(24-43-19-21-44(22-20-43)32-15-17-34(18-16-32)46(51)52)54-40(55-38(27)30-9-7-28(25-47)8-10-30)31-11-13-33(14-12-31)45-37(48)23-35(39(45)49)42-41(50)53-26-29-5-3-2-4-6-29/h2-18,27,35-36,38,40,47H,19-26H2,1H3,(H,42,50)/t27-,35?,36+,38+,40+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)CCO)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C16H20O6/c1-16(2)21-13-12(11(8-9-17)19-15(13)22-16)20-14(18)10-6-4-3-5-7-10/h3-7,11-13,15,17H,8-9H2,1-2H3/t11-,12-,13-,15-/m1/s1