EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C)C)[C@H](C)C(=O)N(C)CC#C)O
InChI: InChI=1S/C33H45N5O3S/c1-7-14-37(6)31(41)21(2)25-12-13-33(4)19-26-28(22(3)27(33)29(25)39)34-32(42-26)35-30(40)24-10-8-23(9-11-24)20-38-17-15-36(5)16-18-38/h1,8-11,21-22,25,27,29,39H,12-20H2,2-6H3,(H,34,35,40)/t21-,22-,25-,27+,29-,33-/m0/s1
SMILES: C[C@@H]([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)[C@@H](CCC(C)(C)O)O
InChI: InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27?/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@H]([C@H]2CC(=O)NCC3=CC(=CC(=C3)F)F)O)(C)CO)OC(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C30H38F2N2O6/c1-29-11-10-26(40-28(38)34-21-4-6-22(39-3)7-5-21)30(2,17-35)25(29)9-8-24(36)23(29)15-27(37)33-16-18-12-19(31)14-20(32)13-18/h4-7,12-14,23-26,35-36H,8-11,15-17H2,1-3H3,(H,33,37)(H,34,38)/t23-,24-,25-,26-,29+,30+/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3CCCC3
InChI: InChI=1S/C17H26N4O4/c1-11-6-4-5-9-17(11)14(23)21(16(25)20-17)10-13(22)19-15(24)18-12-7-2-3-8-12/h11-12H,2-10H2,1H3,(H,20,25)(H2,18,19,22,24)/t11-,17+/m0/s1
SMILES: C[C@H]1[C@H]([C@@H](C[C@H](N1)CCCCCC(=O)OC)O)OCOCCOC
InChI: InChI=1S/C17H33NO6/c1-13-17(24-12-23-10-9-21-2)15(19)11-14(18-13)7-5-4-6-8-16(20)22-3/h13-15,17-19H,4-12H2,1-3H3/t13-,14+,15+,17+/m0/s1
SMILES: C=CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C24H21ClN4O3/c1-3-13-32-23(30)20-15(2)26-24(31)27-22(20)19-14-29(18-7-5-4-6-8-18)28-21(19)16-9-11-17(25)12-10-16/h3-12,14,20,22H,1-2,13H2,(H2,26,27,31)/t20-,22+/m0/s1
SMILES: CCOC(=O)/C=C\N1C(=O)C(=CN(C1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C29H49N3O10SSi2/c1-13-38-22(33)14-15-31-24(34)19(2)16-32(26(31)35)25-23(41-45(11,12)28(6,7)8)29(20(30)18-43(36,37)42-29)21(40-25)17-39-44(9,10)27(3,4)5/h14-16,18,21,23,25H,13,17,30H2,1-12H3/b15-14-/t21-,23+,25-,29?/m1/s1
SMILES: CCC[C@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)[C@@H]([C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)NC(C3=CC=CC=C3)C(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O)O)N(C)C
InChI: InChI=1S/C39H60N4O8S/c1-9-13-25(42(7)8)20-26-16-17-27(50-26)21(2)32(44)22(3)28-18-19-29(51-28)23(4)34(45)40-30(24-14-11-10-12-15-24)35(46)41-31-36(47)43-33(38(48)49)39(5,6)52-37(31)43/h10-12,14-15,21-23,25-33,37,44H,9,13,16-20H2,1-8H3,(H,40,45)(H,41,46)(H,48,49)/t21-,22-,23-,25-,26+,27-,28+,29-,30?,31-,32+,33+,37-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCC2=CC3=CC=CC=C3C=C2)NC(=O)CN=C(N)N)OCC4=CC=C(C=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C34H38N4O6/c1-41-21-28-31(40)32(42-19-22-11-14-26(15-12-22)24-7-3-2-4-8-24)30(38-29(39)18-37-34(35)36)33(44-28)43-20-23-13-16-25-9-5-6-10-27(25)17-23/h2-17,28,30-33,40H,18-21H2,1H3,(H,38,39)(H4,35,36,37)/t28-,30-,31-,32-,33?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H23BrO10/c1-10(22)26-9-16-17(27-11(2)23)18(28-12(3)24)19(29-13(4)25)20(31-16)30-15-7-5-14(21)6-8-15/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)O
InChI: InChI=1S/C33H25Cl2FN2O7/c34-32-15-24-21(12-13-23-26(24)29(41)38(44)28(23)40)27(22-11-10-20(14-25(22)39)45-16-17-4-2-1-3-5-17)33(32,35)31(43)37(30(32)42)19-8-6-18(36)7-9-19/h1-12,14,23-24,26-27,39,44H,13,15-16H2/t23-,24+,26-,27+,32+,33-/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)F
InChI: InChI=1S/C18H15FN2O2/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(21(22)23)18(15)20-17/h1-3,5-10,13-14,17,20H,4H2/t13-,14-,17+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)NCC3=CC=C(C=C3)C(P(=O)(O)O)Br)NC(=O)N2
InChI: InChI=1S/C18H25BrN3O5PS/c19-17(28(25,26)27)12-7-5-11(6-8-12)9-20-15(23)4-2-1-3-14-16-13(10-29-14)21-18(24)22-16/h5-8,13-14,16-17H,1-4,9-10H2,(H,20,23)(H2,21,22,24)(H2,25,26,27)/t13-,14-,16-,17?/m1/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@@]34[C@@H]2CC[C@H]5[C@@]3(CC[C@H](C5)O4)C)C)C(=O)O
InChI: InChI=1S/C22H32O4/c1-12(19(24)25)15-6-7-16-17-5-4-13-10-14-8-9-21(13,3)22(17,26-14)18(23)11-20(15,16)2/h12-17H,4-11H2,1-3H3,(H,24,25)/t12-,13-,14-,15-,16+,17-,20-,21+,22+/m1/s1
SMILES: C1[C@H]([C@H]1C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CCN
InChI: InChI=1S/C27H27N3/c28-17-16-21-18-25(21)26-19-30(20-29-26)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,19-21,25H,16-18,28H2/t21-,25+/m1/s1
SMILES: C[C@@H]1C=CCN([C@H]1C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C14H18N2O5S/c1-10-4-3-9-16(13(10)14(17)15-18)22(19,20)12-7-5-11(21-2)6-8-12/h3-8,10,13,18H,9H2,1-2H3,(H,15,17)/t10-,13-/m1/s1
SMILES: C[C@H]1[C@@]23CCC[N+]4([C@@H]2[C@@]5([C@@]1([C@@H](C3)C(=O)OC)NC6=CC=CC=C65)CC4)C
InChI: InChI=1S/C22H29N2O2/c1-14-20-9-6-11-24(2)12-10-21(19(20)24)15-7-4-5-8-17(15)23-22(14,21)16(13-20)18(25)26-3/h4-5,7-8,14,16,19,23H,6,9-13H2,1-3H3/q+1/t14-,16-,19-,20-,21+,22+,24?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C
InChI: InChI=1S/C32H42O8S/c1-20-4-7-24(8-5-20)41(36,37)39-19-29(34)40-23-10-13-30(2)22(17-23)6-9-27-26(30)11-14-31(3)25(12-15-32(27,31)35)21-16-28(33)38-18-21/h4-5,7-8,16,22-23,25-27,35H,6,9-15,17-19H2,1-3H3/t22-,23-,25+,26-,27+,30-,31+,32?/m0/s1
SMILES: COC1C[C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H22O6/c1-24-19-12-17(13-25-20(22)15-8-4-2-5-9-15)18(27-19)14-26-21(23)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18-,19?/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C36H20Cl2F5IN2O5/c37-35-13-21-19(9-10-20-23(21)32(49)45(31(20)48)15-7-5-14(44)6-8-15)24(18-11-12-22(47)17-4-2-1-3-16(17)18)36(35,38)34(51)46(33(35)50)30-28(42)26(40)25(39)27(41)29(30)43/h1-9,11-12,20-21,23-24,47H,10,13H2/t20-,21+,23-,24-,35+,36-/m0/s1
SMILES: CC(=O)C12[C@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=CC=C6)OC(=O)C
InChI: InChI=1S/C28H21NO5/c1-15(30)28-21-12-5-3-10-19(21)23(20-11-4-6-13-22(20)28)24-25(28)27(33)29(26(24)32)17-8-7-9-18(14-17)34-16(2)31/h3-14,23-25H,1-2H3/t23?,24-,25+,28?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2([C@H]([C@H]2C(=O)CCC3=CC=CC=C3)[C@@H]([Si](C)(C)C)[Se]C4=CC=CC=C4)C(=O)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C(C)C
InChI: InChI=1S/C44H64O5SeSi/c1-28(2)34-23-20-30(5)26-37(34)48-42(46)44(43(47)49-38-27-31(6)21-24-35(38)29(3)4)39(36(45)25-22-32-16-12-10-13-17-32)40(44)41(51(7,8)9)50-33-18-14-11-15-19-33/h10-19,28-31,34-35,37-41H,20-27H2,1-9H3/t30-,31-,34+,35+,37-,38-,39-,40-,41-/m1/s1
SMILES: C[C@H]([C@@H]([C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5)OC
InChI: InChI=1S/C29H39NO6/c1-19(31-6)22(30(17-20-13-9-7-10-14-20)18-21-15-11-8-12-16-21)23-24-25(34-28(2,3)33-24)26-27(32-23)36-29(4,5)35-26/h7-16,19,22-27H,17-18H2,1-6H3/t19-,22+,23-,24+,25+,26-,27-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)OC
InChI: InChI=1S/C20H31N3O3/c1-14-6-5-7-18(15(14)2)22-20(25)13-23(3)12-19(24)21-16-8-10-17(26-4)11-9-16/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,21,24)(H,22,25)/t14-,15+,18+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCNC(=O)N)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1
InChI: InChI=1S/C58H55N7O9/c1-37(39-13-5-2-6-14-39)61-57(71)64-47-28-19-38(12-11-29-60-56(59)70)36-46(47)58(55(64)69)48(53(67)62-43-22-24-44(25-23-43)63-30-33-72-34-31-63)50-54(68)74-51(41-17-9-4-10-18-41)49(40-15-7-3-8-16-40)65(50)52(58)42-20-26-45(27-21-42)73-35-32-66/h2-10,13-28,36-37,48-52,66H,29-35H2,1H3,(H,61,71)(H,62,67)(H3,59,60,70)/t37-,48+,49+,50+,51-,52-,58+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@@](C1=O)(CC(=C)C([C@@H]3[C@@]2([C@@H](C(=O)[C@@]4([C@H]3C4(C)C)OC(=O)C)C)O)O)O[Si](C)(C)C
InChI: InChI=1S/C25H38O7Si/c1-12-10-16-23(20(12)28,32-33(7,8)9)11-13(2)18(27)17-19-22(5,6)25(19,31-15(4)26)21(29)14(3)24(16,17)30/h12,14,16-19,27,30H,2,10-11H2,1,3-9H3/t12-,14+,16+,17-,18?,19+,23+,24-,25+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=NC(=NO3)C4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C20H24N4O5/c1-12-6-4-5-9-20(12)18(25)24(19(26)22-20)11-16-21-17(23-29-16)14-8-7-13(27-2)10-15(14)28-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,22,26)/t12-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H28N2O4/c1-28-17-12-8-15(9-13-17)23-20(25)14-6-10-16(11-7-14)24-21(26)18-4-2-3-5-19(18)22(24)27/h8-9,12-14,16,18-19H,2-7,10-11H2,1H3,(H,23,25)/t14?,16?,18-,19+
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)[C@]4(C5=C([C@@]3(C4=O)C6=CC=CC=C6)C7=CC=CC=C7C8=CC=CC=C85)C9=CC=CC=C9)[N+](=O)[O-]
InChI: InChI=1S/C41H28N4O7/c1-42(2)36-30(44(49)50)21-25(22-31(36)45(51)52)43-37(46)34-35(38(43)47)41(24-15-7-4-8-16-24)33-29-20-12-10-18-27(29)26-17-9-11-19-28(26)32(33)40(34,39(41)48)23-13-5-3-6-14-23/h3-22,34-35H,1-2H3/t34-,35+,40+,41-
SMILES: C=C1[C@H]([C@H](NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H14Cl2N2O2/c1-10-15(17(23)11-5-7-13(19)8-6-11)16(22-18(24)21-10)12-3-2-4-14(20)9-12/h2-9,15-16H,1H2,(H2,21,22,24)/t15-,16-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)N)C5=C(C=CC(=C5)C#CCCO)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC(=CC=C7)OCCO)C8=CC=CC=C8
InChI: InChI=1S/C47H40N4O11/c48-43(54)38-40-44(55)62-41(32-13-5-2-6-14-32)39(31-11-3-1-4-12-31)50(40)42(33-15-9-16-35(27-33)60-25-24-53)47(38)36-26-29(10-7-8-23-52)19-22-37(36)49(45(47)56)46(57)61-28-30-17-20-34(21-18-30)51(58)59/h1-6,9,11-22,26-27,38-42,52-53H,8,23-25,28H2,(H2,48,54)/t38-,39-,40-,41+,42+,47-/m1/s1
SMILES: C[C@H]1OC[C@@H]2[C@H](O1)[13C@@H]([C@H]([C@@H](O2)OC)O)O
InChI: InChI=1S/C9H16O6/c1-4-13-3-5-8(14-4)6(10)7(11)9(12-2)15-5/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-,9+/m0/s1/i6+1
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C[C@H]3[C@H]4C[C@H]5C(=C)CCC[C@]5(C[C@@H]4OC3=O)C)C
InChI: InChI=1S/C27H38N2O2/c1-18-7-5-9-24(20(18)3)29-13-11-28(12-14-29)17-22-21-15-23-19(2)8-6-10-27(23,4)16-25(21)31-26(22)30/h5,7,9,21-23,25H,2,6,8,10-17H2,1,3-4H3/t21-,22+,23+,25+,27+/m1/s1
SMILES: CC(C)[C@@H](C(=O)[O-])N1[C@@H]2[C@@H](NC(=O)N2)NC1=O
InChI: InChI=1S/C9H14N4O4/c1-3(2)4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h3-6H,1-2H3,(H,11,17)(H,14,15)(H2,10,12,16)/p-1/t4-,5-,6+/m0/s1
SMILES: COC1=CC=C(C=C1)OC[C@@H]2[C@@H]([C@H]([C@@H]3N2CC[C@H]3O)O)OCC4=CC=CC=C4
InChI: InChI=1S/C22H27NO5/c1-26-16-7-9-17(10-8-16)27-14-18-22(28-13-15-5-3-2-4-6-15)21(25)20-19(24)11-12-23(18)20/h2-10,18-22,24-25H,11-14H2,1H3/t18-,19-,20-,21+,22+/m1/s1
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C20H18ClNO5S/c1-27-20(26)16-15(11-6-8-12(21)9-7-11)10-28-18(16)22-17(23)13-4-2-3-5-14(13)19(24)25/h2-3,6-10,13-14H,4-5H2,1H3,(H,22,23)(H,24,25)/t13-,14-/m0/s1
SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI: InChI=1S/C21H24N6O6/c1-11(28)26-13(7-12-5-3-2-4-6-12)21(31)32-8-14-16(29)17(30)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h2-6,9-10,13-14,16-17,20,29-30H,7-8H2,1H3,(H,26,28)(H2,22,23,24)/t13-,14+,16+,17+,20+/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)[N+](=O)[O-])C6=CC=C(C=C6)O
InChI: InChI=1S/C29H22N2O7/c1-14-12-23(33)22-13-21-19(24(26(22)27(14)34)15-2-8-18(32)9-3-15)10-11-20-25(21)29(36)30(28(20)35)16-4-6-17(7-5-16)31(37)38/h2-10,12,20-21,24-25,32H,11,13H2,1H3/t20-,21+,24-,25-/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2OCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OCC6=CC=CC=C6)COCCF
InChI: InChI=1S/C35H41FO3/c1-35-21-28(24-37-19-18-36)34-30-15-13-29(38-22-25-8-4-2-5-9-25)20-27(30)12-14-31(34)32(35)16-17-33(35)39-23-26-10-6-3-7-11-26/h2-11,13,15,20,28,31-34H,12,14,16-19,21-24H2,1H3/t28-,31+,32+,33?,34-,35+/m1/s1
SMILES: CCOC(=O)N(C)[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
InChI: InChI=1S/C40H53N3O9/c1-5-22-50-40-35(43(3)39(47)49-6-2)25-33(42-48-4)31-23-28(16-10-12-20-44)30(17-11-13-21-45)36(37(31)40)32-24-29(18-19-34(32)52-40)51-38(46)41-26-27-14-8-7-9-15-27/h5,7-9,14-15,18-19,23-24,28,30,35-37,44-45H,1,6,10-13,16-17,20-22,25-26H2,2-4H3,(H,41,46)/t28-,30+,35-,36+,37+,40+/m0/s1
SMILES: C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
SMILES: CC(=O)N1[C@H]([C@@H]2CCO[C@@H]2C3=C1C=CC(=C3)Cl)C4=CC=CO4
InChI: InChI=1S/C17H16ClNO3/c1-10(20)19-14-5-4-11(18)9-13(14)17-12(6-8-22-17)16(19)15-3-2-7-21-15/h2-5,7,9,12,16-17H,6,8H2,1H3/t12-,16+,17-/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)OCC=C)C4=CSC(=N4)C5=NC=C(S5)[N+](=O)[O-]
InChI: InChI=1S/C23H20N8O7S3/c1-3-6-38-22(34)17-10(11-8-39-20(26-11)19-25-7-14(41-19)31(35)36)4-5-13-16(21(33)30(13)17)28-18(32)15(29-37-2)12-9-40-23(24)27-12/h3,7-9,13,16H,1,4-6H2,2H3,(H2,24,27)(H,28,32)/b29-15-/t13-,16+/m1/s1
SMILES: CCOC(=O)N1CCC(CC1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C17H22N2O6/c1-2-24-16(23)18-7-4-10(5-8-18)19-9-17-6-3-11(25-17)12(15(21)22)13(17)14(19)20/h3,6,10-13H,2,4-5,7-9H2,1H3,(H,21,22)/p-1/t11-,12-,13+,17-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)OC)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C35H38N2O9/c1-35-24(32(42)37(34(35)44)19-10-6-4-7-11-19)18-23-21(30(35)29-25(38)16-20(45-2)17-26(29)46-3)13-14-22-28(23)33(43)36(31(22)41)15-9-5-8-12-27(39)40/h4,6-7,10-11,13,16-17,22-24,28,30,38H,5,8-9,12,14-15,18H2,1-3H3,(H,39,40)/t22-,23+,24-,28-,30+,35+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-]
InChI: InChI=1S/C18H23NO3/c1-10-3-5-12(6-4-10)11(2)19-17(20)15-13-7-8-14(9-13)16(15)18(21)22/h3-6,11,13-16H,7-9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t11-,13-,14+,15-,16+/m1/s1
SMILES: CC1(OC[C@]2(O1)[C@H]([C@H]3[C@@H](CO2)O[C@@H](O3)[C@@H]4C[C@H]4C5=CC=CC=C5)OCC6=CC=C(C=C6)OC)C
InChI: InChI=1S/C27H32O7/c1-26(2)31-16-27(34-26)24(29-14-17-9-11-19(28-3)12-10-17)23-22(15-30-27)32-25(33-23)21-13-20(21)18-7-5-4-6-8-18/h4-12,20-25H,13-16H2,1-3H3/t20-,21+,22+,23+,24-,25-,27-/m0/s1
SMILES: CC1(O[C@@H]2C[C@@]3([C@H](C(=O)O[C@@H]2O1)OC(O3)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H34O7Si/c1-16(2,3)27(8,9)21-11-19-10-12-15(25-17(4,5)23-12)22-14(20)13(19)24-18(6,7)26-19/h12-13,15H,10-11H2,1-9H3/t12-,13+,15-,19+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@H]1CCCCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H66O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-28-27(21-18-15-16-19-22-31(35)36-8)29(34)25-30(28)38-40(11,12)33(5,6)7/h23-24,26-30,34H,13-22,25H2,1-12H3/b24-23+/t26-,27-,28+,29+,30+/m0/s1
SMILES: C1[C@@H]([C@@H]2CO[C@H](C1=O)O2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)F)C5=CC=CC=C5
InChI: InChI=1S/C20H16FN3O3S/c21-13-6-4-5-12(9-13)18-22-24(15-10-16(25)19-26-11-17(15)27-19)20(28)23(18)14-7-2-1-3-8-14/h1-9,15,17,19H,10-11H2/t15-,17-,19-/m0/s1
SMILES: COC(=O)CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC
InChI: InChI=1S/C18H22INO4/c1-23-16(21)10-20-13-7-8-15(20)17(18(22)24-2)14(9-13)11-3-5-12(19)6-4-11/h3-6,13-15,17H,7-10H2,1-2H3/t13-,14+,15+,17-/m0/s1
SMILES: CC1CCC2C1[C@@H](OC=C2C(=O)O[C@@H]3[C@H]4[C@](O4)(C5C3CCO[C@H]5OC6C(C(C(C(O6)CO)O)O)O)CO)OC7C(C(C(C(O7)CO)O)O)O
InChI: InChI=1S/C31H46O18/c1-10-2-3-11-13(8-43-27(16(10)11)47-29-22(39)20(37)18(35)14(6-32)44-29)26(41)46-24-12-4-5-42-28(17(12)31(9-34)25(24)49-31)48-30-23(40)21(38)19(36)15(7-33)45-30/h8,10-12,14-25,27-30,32-40H,2-7,9H2,1H3/t10?,11?,12?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25-,27-,28-,29?,30?,31+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)Cl
InChI: InChI=1S/C34H29Cl2N3O6/c1-38-31(43)33(35)17-24-21(27(34(33,36)32(38)44)23-9-6-10-25(45-2)28(23)40)15-16-22-26(24)30(42)39(29(22)41)20-13-11-19(12-14-20)37-18-7-4-3-5-8-18/h3-15,22,24,26-27,37,40H,16-17H2,1-2H3/t22-,24+,26-,27+,33+,34-/m0/s1
SMILES: CC1=C(C2=C(N1)C3=CC=CC=C3C=C2)[C@H]4[C@@H](C4(C)C)CCN
InChI: InChI=1S/C20H24N2/c1-12-17(18-16(10-11-21)20(18,2)3)15-9-8-13-6-4-5-7-14(13)19(15)22-12/h4-9,16,18,22H,10-11,21H2,1-3H3/t16-,18+/m0/s1
SMILES: C1=CC2=C(C=C1Cl)NC(=CC2=O)C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O
InChI: InChI=1S/C15H14ClNO8/c16-5-1-2-6-7(3-5)17-8(4-9(6)18)13(22)24-15-12(21)10(19)11(20)14(23)25-15/h1-4,10-12,14-15,19-21,23H,(H,17,18)/t10-,11-,12+,14-,15+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@](CCCO3)([C@H](O2)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C34H36N2O8/c1-22-20-36(32(38)35-30(22)37)31-29-33(39,18-7-19-42-29)28(44-31)21-43-34(23-8-5-4-6-9-23,24-10-14-26(40-2)15-11-24)25-12-16-27(41-3)17-13-25/h4-6,8-17,20,28-29,31,39H,7,18-19,21H2,1-3H3,(H,35,37,38)/t28-,29+,31-,33-/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C/C=C/C=C/C=C/C=C/[C@H]([C@@H]([C@@H](C[C@@H](CCC[C@@H](C[C@@H](C[C@@H]([C@H](C(=O)O1)C)O)O)O)O)O)C(=O)O)O)C
InChI: InChI=1S/C32H50O10/c1-4-29-21(2)14-11-9-7-5-6-8-10-12-17-26(36)30(31(39)40)28(38)19-24(34)16-13-15-23(33)18-25(35)20-27(37)22(3)32(41)42-29/h5-12,14,17,21-30,33-38H,4,13,15-16,18-20H2,1-3H3,(H,39,40)/b6-5+,9-7+,10-8+,14-11+,17-12+/t21-,22+,23-,24+,25-,26+,27-,28+,29+,30-/m0/s1
SMILES: C1=CC=C(C=C1)NC(=O)OC[C@@H]2[C@@H]([C@H]2C(=O)O)C(C(=O)O)N
InChI: InChI=1S/C14H16N2O6/c15-11(13(19)20)9-8(10(9)12(17)18)6-22-14(21)16-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,21)(H,17,18)(H,19,20)/t8-,9+,10+,11?/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O
InChI: InChI=1S/C21H25NO6/c1-12-6-4-8-16(13(12)2)22-18(23)11-27-20(24)15-10-14-7-5-9-17(26-3)19(14)28-21(15)25/h5,7,9-10,12-13,16H,4,6,8,11H2,1-3H3,(H,22,23)/t12-,13+,16-/m0/s1
SMILES: C1=CC(=CC=C1NNC2=N[C@@H]([C@H]([C@H]2O)O)CO)[N+](=O)[O-]
InChI: InChI=1S/C11H14N4O5/c16-5-8-9(17)10(18)11(12-8)14-13-6-1-3-7(4-2-6)15(19)20/h1-4,8-10,13,16-18H,5H2,(H,12,14)/t8-,9-,10-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CSC2=C(C=C(C=C2)C)C
InChI: InChI=1S/C20H29NO3S/c1-13-8-9-18(15(3)10-13)25-12-20(23)24-11-19(22)21-17-7-5-6-14(2)16(17)4/h8-10,14,16-17H,5-7,11-12H2,1-4H3,(H,21,22)/t14-,16-,17+/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O
InChI: InChI=1S/C40H58N6O4/c1-6-26(2)36(39(50)41-23-35-42-32-18-12-13-19-33(32)43-35)44-37(48)30(20-27-14-8-7-9-15-27)21-31(47)25-46-24-29-17-11-10-16-28(29)22-34(46)38(49)45-40(3,4)5/h7-9,12-15,18-19,26,28-31,34,36,47H,6,10-11,16-17,20-25H2,1-5H3,(H,41,50)(H,42,43)(H,44,48)(H,45,49)/t26-,28-,29+,30+,31-,34-,36-/m0/s1
SMILES: C[C@]12C=C[C@H](O1)[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O
InChI: InChI=1S/C16H12ClNO5/c1-16-5-4-10(23-16)11-12(16)14(20)18(13(11)19)7-2-3-9(17)8(6-7)15(21)22/h2-6,10-12H,1H3,(H,21,22)/t10-,11+,12+,16+/m0/s1
SMILES: CC(C)CN1C2=C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OCC6=CC=CC=C6)C)C=N1
InChI: InChI=1S/C30H36N2O/c1-20(2)18-32-29-23(17-31-32)16-28-27-11-9-22-15-24(33-19-21-7-5-4-6-8-21)10-12-25(22)26(27)13-14-30(28,29)3/h4-8,10,12,15,17,20,26-28H,9,11,13-14,16,18-19H2,1-3H3/t26-,27-,28+,30+/m1/s1
SMILES: CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(CNCC3=CC=CC=C3)C(=O)OC)C
InChI: InChI=1S/C24H29NO2/c1-18-14-22(21-12-8-5-9-13-21)24(15-19(18)2,23(26)27-3)17-25-16-20-10-6-4-7-11-20/h4-13,22,25H,14-17H2,1-3H3/t22-,24-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC)OC(=O)C
InChI: InChI=1S/C46H59NO15/c1-24-29(59-40(53)34(51)33(27-17-13-11-14-18-27)47-41(54)62-42(4,5)6)22-46(55)38(60-39(52)28-19-15-12-16-20-28)36-44(9,30(50)21-31-45(36,23-57-31)61-26(3)49)37(56-10)35(58-25(2)48)32(24)43(46,7)8/h11-20,29-31,33-38,50-51,55H,21-23H2,1-10H3,(H,47,54)/t29-,30-,31+,33-,34+,35+,36-,37-,38-,44+,45-,46+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)[C@@H]3C(=O)OC(=O)N3CC4=CC=CC=C4)C
InChI: InChI=1S/C18H21NO7/c1-18(2)25-13-12(23-16(22-3)14(13)26-18)11-15(20)24-17(21)19(11)9-10-7-5-4-6-8-10/h4-8,11-14,16H,9H2,1-3H3/t11-,12-,13-,14-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5CCOC5
InChI: InChI=1S/C28H32N2O6/c1-17-6-8-18(9-7-17)15-30(28(34)19-10-13-35-16-19)22-14-21(27(33)29-11-12-31)24-20-4-2-3-5-23(20)36-26(24)25(22)32/h2-9,14,19,22,24-26,31-32H,10-13,15-16H2,1H3,(H,29,33)/t19?,22-,24+,25+,26+/m1/s1
SMILES: CC/C=C(\C)/[C@@H]([C@@H](C)C(=O)N1[C@H]([C@H](OC1=O)C2=CC=CC=C2)C)O
InChI: InChI=1S/C19H25NO4/c1-5-9-12(2)16(21)13(3)18(22)20-14(4)17(24-19(20)23)15-10-7-6-8-11-15/h6-11,13-14,16-17,21H,5H2,1-4H3/b12-9+/t13-,14+,16+,17+/m1/s1
SMILES: CCCCCC(CC)NC(=O)OC1=CC2=C(C[C@H]3[C@@]2(CCN3)C)C=C1
InChI: InChI=1S/C21H32N2O2/c1-4-6-7-8-16(5-2)23-20(24)25-17-10-9-15-13-19-21(3,11-12-22-19)18(15)14-17/h9-10,14,16,19,22H,4-8,11-13H2,1-3H3,(H,23,24)/t16?,19-,21+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@H](C(=NC(=C2C(=O)OC)C)C)C(=O)OC
InChI: InChI=1S/C19H23NO5/c1-6-25-14-9-7-13(8-10-14)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,15,17H,6H2,1-5H3/t15-,17-/m0/s1
SMILES: CC1C(=O)N(C1(C(=O)[O-])C(=O)[O-])C.C1CC[C@H]([C@@H](C1)N)N.[Pt+2]
InChI: InChI=1S/C7H9NO5.C6H14N2.Pt/c1-3-4(9)8(2)7(3,5(10)11)6(12)13;7-5-3-1-2-4-6(5)8;/h3H,1-2H3,(H,10,11)(H,12,13);5-6H,1-4,7-8H2;/q;;+2/p-2/t;5-,6-;/m.1./s1
SMILES: CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C)C(=O)N[C@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C23H37N3O2/c1-5-28-22-12-7-6-11-21(22)26-15-13-25(14-16-26)19(4)23(27)24-20-10-8-9-17(2)18(20)3/h6-7,11-12,17-20H,5,8-10,13-16H2,1-4H3,(H,24,27)/p+1/t17-,18-,19-,20-/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)OC)O)O
InChI: InChI=1S/C29H53NO16/c1-4-5-6-7-8-9-10-41-28-24(39)23(38)25(40-3)17(45-28)13-42-29-26(22(37)20(35)16(12-32)44-29)46-27-18(30-14(2)33)21(36)19(34)15(11-31)43-27/h15-29,31-32,34-39H,4-13H2,1-3H3,(H,30,33)/t15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=CC=C3
InChI: InChI=1S/C21H27N3O5/c1-14-8-6-7-11-16(14)22-17(25)13-29-18(26)12-24-19(27)21(2,23-20(24)28)15-9-4-3-5-10-15/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,22,25)(H,23,28)/t14-,16-,21+/m0/s1
SMILES: C1CCC(CC1)NC(=O)[C@@]23CCCC[C@H]2SCCCN3CC4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H33ClN2OS/c24-19-12-10-18(11-13-19)17-26-15-6-16-28-21-9-4-5-14-23(21,26)22(27)25-20-7-2-1-3-8-20/h10-13,20-21H,1-9,14-17H2,(H,25,27)/t21-,23-/m1/s1
SMILES: CCCC[C@]1([C@H](CC(=O)O1)N2[C@H](COC2=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C18H23NO5/c1-3-4-10-18(22-2)15(11-16(20)24-18)19-14(12-23-17(19)21)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-,15+,18+/m1/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)O)O
InChI: InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23?,27-/m1/s1
SMILES: COC(=O)C1=CC(=CC=C1)NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C=C(N=N4)C5=CC=CC=C5
InChI: InChI=1S/C23H23N5O4S/c1-30-22(29)15-8-5-9-16(10-15)24-23(33)25-18-12-31-21-19(13-32-20(18)21)28-11-17(26-27-28)14-6-3-2-4-7-14/h2-11,18-21H,12-13H2,1H3,(H2,24,25,33)/t18-,19-,20+,21+/m0/s1