EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COCCN1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CC(=O)N
InChI: InChI=1S/C18H19ClN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/p+1/t11-,13-,14+,18-/m1/s1
SMILES: CN1[C@H]([C@@H](C(=NC2=CC=CC=C2)C3=CC=CC=C31)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C29H26N2/c1-31-26-20-12-11-19-25(26)29(30-24-17-9-4-10-18-24)28(23-15-7-3-8-16-23)27(31)21-22-13-5-2-6-14-22/h2-20,27-28H,21H2,1H3/t27-,28-/m0/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC(=C4)C
InChI: InChI=1S/C22H21NO3/c1-14-5-3-7-18(13-14)26-17-11-9-16(10-12-17)23-21(24)19-8-4-6-15(2)20(19)22(23)25/h3-7,9-13,15,19-20H,8H2,1-2H3/t15-,19-,20-/m1/s1
SMILES: C[C@]12CC[C@H](C1)C([C@@H]2NC(=O)C(=O)C3=CNC4=CC=CC=C43)(C)C
InChI: InChI=1S/C20H24N2O2/c1-19(2)12-8-9-20(3,10-12)18(19)22-17(24)16(23)14-11-21-15-7-5-4-6-13(14)15/h4-7,11-12,18,21H,8-10H2,1-3H3,(H,22,24)/t12-,18+,20+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(C)C
InChI: InChI=1S/C18H25NO4/c1-11(2)15-7-5-12(3)9-17(15)23-18(20)14-6-8-16(19(21)22)13(4)10-14/h6,8,10-12,15,17H,5,7,9H2,1-4H3/t12-,15+,17+/m0/s1
SMILES: C1=CC(=CC(=C1)N2C(=O)[C@H]3[C@H](C2=O)C4C=CC3[C@@H]5[C@@H]4C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C26H18N2O8/c29-21-17-15-7-8-16(18(17)22(30)27(21)13-5-1-3-11(9-13)25(33)34)20-19(15)23(31)28(24(20)32)14-6-2-4-12(10-14)26(35)36/h1-10,15-20H,(H,33,34)(H,35,36)/p-2/t15?,16?,17-,18-,19-,20-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C52H65N3O10/c1-3-26-54(49(59)25-20-36-12-5-6-13-36)48-33-46(53-63-35-37-18-21-40(22-19-37)55(60)61)44-31-39(15-7-9-27-56)43(17-8-10-28-57)50-45-32-42(64-41-16-11-14-38(30-41)34-58)23-24-47(45)65-52(48,51(44)50)62-29-4-2/h4,11,14,16,18-19,21-24,30-32,34,36,39,43,48,50-51,56-57H,2-3,5-10,12-13,15,17,20,25-29,33,35H2,1H3/t39-,43+,48-,50+,51+,52+/m0/s1
SMILES: C[C@]1([C@H]2[C@@H]3C[C@@H]4[C@H]2[C@](O1)(O[C@@H]4[C@H]3I)C)O
InChI: InChI=1S/C11H15IO3/c1-10(13)6-4-3-5-7(6)11(2,15-10)14-9(5)8(4)12/h4-9,13H,3H2,1-2H3/t4-,5+,6-,7+,8-,9-,10-,11-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(=O)C=C1OC(C)C2=CC=CC=C2)C(=O)OCC
InChI: InChI=1S/C19H22O6/c1-4-23-18(21)16-14(20)11-15(17(16)19(22)24-5-2)25-12(3)13-9-7-6-8-10-13/h6-12,16-17H,4-5H2,1-3H3/t12?,16-,17-/m0/s1
SMILES: C[C@@H]1C=C([C@H]2[C@@H]([C@@]1(CO[C@@H]2C)COC(=O)C)C)C
InChI: InChI=1S/C15H24O3/c1-9-6-10(2)15(8-18-13(5)16)7-17-12(4)14(9)11(15)3/h6,10-12,14H,7-8H2,1-5H3/t10-,11+,12-,14+,15+/m1/s1
SMILES: CC1(O[C@H]2[C@H](O1)[C@H]([C@H]([C@H]([C@@H]2OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C30H28O9/c1-30(2)38-25-23(36-28(33)19-14-8-4-9-15-19)21(31)22(35-27(32)18-12-6-3-7-13-18)24(26(25)39-30)37-29(34)20-16-10-5-11-17-20/h3-17,21-26,31H,1-2H3/t21-,22+,23+,24+,25-,26-/m1/s1
SMILES: COC1=CC=C(C=C1)CC(=O)O[C@@H]2[C@H](C3=C(C=CC(=C3)O)NC2=O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CC5=CC=CC=C5
InChI: InChI=1S/C35H33N3O7/c1-44-26-15-12-24(13-16-26)20-31(41)45-33-32(27-21-25(39)14-17-28(27)37-35(33)43)38-34(42)29(18-22-8-4-2-5-9-22)36-30(40)19-23-10-6-3-7-11-23/h2-17,21,29,32-33,39H,18-20H2,1H3,(H,36,40)(H,37,43)(H,38,42)/t29-,32-,33+/m0/s1
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)C=NN2
InChI: InChI=1S/C24H28F2N2O5/c1-12(29)33-11-20(32)24-13(10-27-28-24)6-15-16-8-18(25)17-7-14(30)4-5-21(17,2)23(16,26)19(31)9-22(15,24)3/h4-5,7,10,13,15-16,18-19,28,31H,6,8-9,11H2,1-3H3/t13-,15-,16-,18-,19-,21-,22-,23-,24-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C
InChI: InChI=1S/C45H60Cl2O6/c1-25(2)8-6-9-26(3)35-14-15-36-32-13-12-30-20-27(16-18-44(30,4)37(32)17-19-45(35,36)5)10-7-11-31(28-21-33(42(50)51)40(48)38(46)23-28)29-22-34(43(52)53)41(49)39(47)24-29/h11,21-27,30,32,35-37,48-49H,6-10,12-20H2,1-5H3,(H,50,51)(H,52,53)/t26-,27+,30?,32-,35-,36+,37+,44+,45-/m1/s1
SMILES: CC1=C2C=CC(=C2[C@@H]3[C@@H]([C@H](C1)OC(=O)C)C(=C)C(=O)O3)C
InChI: InChI=1S/C17H18O4/c1-8-5-6-12-9(2)7-13(20-11(4)18)15-10(3)17(19)21-16(15)14(8)12/h5-6,13,15-16H,3,7H2,1-2,4H3/t13-,15+,16+/m0/s1
SMILES: C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C
InChI: InChI=1S/C18H19N5O7S2/c1-3-4-9-5-31-16-12(21-14(25)11(22-28)10-6-32-18(19)20-10)15(26)23(16)13(9)17(27)30-7-29-8(2)24/h3-4,6,12,16,28H,5,7H2,1-2H3,(H2,19,20)(H,21,25)/b4-3+,22-11-/t12-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl
InChI: InChI=1S/C18H19ClN4O3S/c1-10-4-2-3-7-18(10)15(25)23(17(26)22-18)9-14(24)21-16-20-12-6-5-11(19)8-13(12)27-16/h5-6,8,10H,2-4,7,9H2,1H3,(H,22,26)(H,20,21,24)/t10-,18+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@@H]1F)[NH2+]C2(C(F)(F)F)C(F)(F)F)Cl
InChI: InChI=1S/C8H7ClF7N/c9-4-2-1-3(10)5(4)17-6(2,7(11,12)13)8(14,15)16/h2-5,17H,1H2/p+1/t2-,3+,4-,5+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\O)/C4=CSC(=N4)N)/C=C\COC(=O)N5CCCC5
InChI: InChI=1S/C28H30N6O8S2/c1-40-18-8-6-16(7-9-18)13-42-26(37)22-17(5-4-12-41-28(38)33-10-2-3-11-33)14-43-25-21(24(36)34(22)25)31-23(35)20(32-39)19-15-44-27(29)30-19/h4-9,15,21,25,39H,2-3,10-14H2,1H3,(H2,29,30)(H,31,35)/b5-4-,32-20-/t21-,25-/m1/s1
SMILES: C1=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O
InChI: InChI=1S/C9H12N2O7/c12-2-4-5(13)6(14)7(18-4)11-1-3(8(15)16)10-9(11)17/h1,4-7,12-14H,2H2,(H,10,17)(H,15,16)/t4-,5-,6-,7-/m1/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C18H14ClFN4O4/c1-9-15(17(25)22-13-5-3-2-4-12(13)20)16(23-18(26)21-9)10-6-7-11(19)14(8-10)24(27)28/h2-8,15-16H,1H2,(H,22,25)(H2,21,23,26)/t15-,16+/m0/s1
SMILES: C[C@H]1C(=O)NC2=CC=CC=C2C(=O)N1CC(=O)N(C[C@@H]3CC[C@@H]4C[C@H]3C4(C)C)CC(=O)N
InChI: InChI=1S/C24H32N4O4/c1-14-22(31)26-19-7-5-4-6-17(19)23(32)28(14)13-21(30)27(12-20(25)29)11-15-8-9-16-10-18(15)24(16,2)3/h4-7,14-16,18H,8-13H2,1-3H3,(H2,25,29)(H,26,31)/t14-,15-,16+,18+/m0/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC4=CC=CC=C4F)O
InChI: InChI=1S/C23H28FNO2/c1-27-21-12-5-3-9-18(21)22-19-10-6-7-13-23(19,26)14-15-25(22)16-17-8-2-4-11-20(17)24/h2-5,8-9,11-12,19,22,26H,6-7,10,13-16H2,1H3/p+1/t19-,22+,23-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNC(=O)NC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C28H38N2O2/c1-19(2)20-7-13-24-21(17-20)8-14-25-27(3,15-6-16-28(24,25)4)18-29-26(31)30-22-9-11-23(32-5)12-10-22/h7,9-13,17,19,25H,6,8,14-16,18H2,1-5H3,(H2,29,30,31)/t25-,27-,28+/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)[O-])N2C3=CC=CC=C3F
InChI: InChI=1S/C15H15FN2O6S2/c16-9-3-1-2-4-10(9)18-11-7-26(22,23)8-12(11)25-15(18)17-13(19)5-24-6-14(20)21/h1-4,11-12H,5-8H2,(H,20,21)/p-1/t11-,12+/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)C[C@H](N2C(=O)OCC3=CC=CC=C3)CO)C
InChI: InChI=1S/C17H23NO5/c1-17(2)22-11-14-15(23-17)8-13(9-19)18(14)16(20)21-10-12-6-4-3-5-7-12/h3-7,13-15,19H,8-11H2,1-2H3/t13-,14+,15-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2C(C)C
InChI: InChI=1S/C21H31N3O2S2/c1-11(2)24-20(26)17-13(4)14(5)27-19(17)23-21(24)28-15(6)18(25)22-16-10-8-7-9-12(16)3/h11-12,15-16H,7-10H2,1-6H3,(H,22,25)/t12-,15+,16-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3
InChI: InChI=1S/C23H27NO4/c1-16-9-8-13-20(17(16)2)24-22(25)15-27-23(26)19-12-6-7-14-21(19)28-18-10-4-3-5-11-18/h3-7,10-12,14,16-17,20H,8-9,13,15H2,1-2H3,(H,24,25)/t16-,17-,20+/m1/s1
SMILES: C[C@@]1(CSC2=C([C@H]1CCCCCCCCCS(=O)CCCN(C)C)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C30H45NO3S2/c1-30(24-13-15-25(32)16-14-24)23-35-29-22-26(33)17-18-27(29)28(30)12-9-7-5-4-6-8-10-20-36(34)21-11-19-31(2)3/h13-18,22,28,32-33H,4-12,19-21,23H2,1-3H3/t28-,30-,36?/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=C(C(=C(C=C2)Cl)Cl)Cl)C
InChI: InChI=1S/C16H16Cl3NO3/c1-3-23-16(22)13-8(2)6-9(7-12(13)21)20-11-5-4-10(17)14(18)15(11)19/h4-5,7-8,13,20H,3,6H2,1-2H3/t8-,13+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]([C@H](O1)O2)OC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C13H11ClO4/c14-9-3-1-8(2-4-9)12(15)18-11-6-5-10-7-16-13(11)17-10/h1-6,10-11,13H,7H2/t10-,11+,13+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O
InChI: InChI=1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16?,17?,19+,20-,21-,22+,23-,24-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC(=CC=C3)F)C4=CC=CC=C4
InChI: InChI=1S/C24H22FNO4/c1-2-30-24(29)22-17(14-7-4-3-5-8-14)12-19-21(23(22)28)18(13-20(27)26-19)15-9-6-10-16(25)11-15/h3-11,17-18,22H,2,12-13H2,1H3,(H,26,27)/t17-,18-,22-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C#C)CO)O)F
InChI: InChI=1S/C14H15FN4O3/c1-3-7-4-19(12-9(7)11(16)17-6-18-12)13-14(2,15)10(21)8(5-20)22-13/h1,4,6,8,10,13,20-21H,5H2,2H3,(H2,16,17,18)/t8-,10-,13-,14-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@]3(O2)CC=CC(=O)[C@@]3(C4C1C5CC[C@]([C@]5(CC4)C)(C6C[C@@]7(C[C@H]6OC(=O)[C@]7(C)O)C)O)C
InChI: InChI=1S/C30H40O8/c1-15(31)36-22-21-16-9-12-29(35,18-13-25(2)14-19(18)37-24(33)28(25,5)34)26(16,3)11-8-17(21)27(4)20(32)7-6-10-30(27)23(22)38-30/h6-7,16-19,21-23,34-35H,8-14H2,1-5H3/t16?,17?,18?,19-,21?,22+,23-,25-,26+,27+,28+,29-,30-/m1/s1
SMILES: C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)CC(=O)O)NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C26H26N6O7/c33-11-18-22(37)23(38)26(39-18)32-13-29-21-24(27-12-28-25(21)32)31-17-7-1-14(2-8-17)9-19(34)30-16-5-3-15(4-6-16)10-20(35)36/h1-8,12-13,18,22-23,26,33,37-38H,9-11H2,(H,30,34)(H,35,36)(H,27,28,31)/t18-,22-,23-,26-/m1/s1
SMILES: CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)C(C)C)C4=C2[C@H]5[C@@]67CCN([C@@H]([C@@]6(C4)O)CC8=C7C(=C(C=C8)O)O5)CC9CC9
InChI: InChI=1S/C37H40N2O3/c1-21(2)25-9-11-29-27(16-25)28-18-37(41)31-17-26-10-12-30(40)34-32(26)36(37,13-14-38(31)19-23-7-8-23)35(42-34)33(28)39(29)20-24-6-4-5-22(3)15-24/h4-6,9-12,15-16,21,23,31,35,40-41H,7-8,13-14,17-20H2,1-3H3/t31-,35+,36+,37-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H](C(=O)C4)CCCSC5=CC=CC=C5)C)C
InChI: InChI=1S/C36H56OS/c1-25(2)11-9-12-26(3)31-18-19-32-30-17-16-28-23-34(37)27(13-10-22-38-29-14-7-6-8-15-29)24-36(28,5)33(30)20-21-35(31,32)4/h6-8,14-15,25-28,30-33H,9-13,16-24H2,1-5H3/t26-,27+,28+,30+,31-,32+,33+,35-,36+/m1/s1
SMILES: CCOC(=O)OC[C@@H]1[C@@H]([C@H]([C@H](O1)N2C3=C(C=N2)C(=NC(=N3)SC)SC)OC(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C18H24N4O9S3/c1-6-27-18(24)28-8-11-12(31-34(5,25)26)13(29-9(2)23)16(30-11)22-14-10(7-19-22)15(32-3)21-17(20-14)33-4/h7,11-13,16H,6,8H2,1-5H3/t11-,12+,13-,16+/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CC(=O)O[C@]3([C@@H]2[C@H](C[C@H]3C4=CC=CC=C4)O)C)(C)C
InChI: InChI=1S/C23H32O3/c1-21(2)11-8-12-22(3)18(21)14-19(25)26-23(4)16(13-17(24)20(22)23)15-9-6-5-7-10-15/h5-7,9-10,16-18,20,24H,8,11-14H2,1-4H3/t16-,17-,18+,20+,22+,23+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(N5CC5)N6CC6)C
InChI: InChI=1S/C23H35N2O3P/c1-22-9-7-17(28-29(27,24-11-12-24)25-13-14-25)15-16(22)3-4-18-19-5-6-21(26)23(19,2)10-8-20(18)22/h3,17-20H,4-15H2,1-2H3/t17-,18-,19-,20+,22-,23-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@@H]2C[C@H]([C@H]1OC(=O)OCC)[C@@H]3[C@H]2O3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO7/c1-3-25-18(23)20(21-17(22)11-8-6-5-7-9-11)13-10-12(14-15(13)27-14)16(20)28-19(24)26-4-2/h5-9,12-16H,3-4,10H2,1-2H3,(H,21,22)/t12-,13+,14+,15-,16+,20-/m0/s1
SMILES: CN1CC[C@]23[C@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3[C@@H](C=C4)O
InChI: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18+/m1/s1
SMILES: CC1=CC2=C(C=C1)N(C([C@H]3[C@]2(C3(Cl)Cl)C)(C)C)C=O
InChI: InChI=1S/C15H17Cl2NO/c1-9-5-6-11-10(7-9)14(4)12(15(14,16)17)13(2,3)18(11)8-19/h5-8,12H,1-4H3/t12-,14-/m0/s1
SMILES: CCCCCC1(O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]2O1)SC)NC(=O)C(Cl)(Cl)Cl)O)CCCCC
InChI: InChI=1S/C19H32Cl3NO4S/c1-4-6-8-10-18(11-9-7-5-2)26-14-13(24)12(16(28-3)15(14)27-18)23-17(25)19(20,21)22/h12-16,24H,4-11H2,1-3H3,(H,23,25)/t12-,13+,14+,15+,16+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CC(N(C(C2)(C)C)OC(=O)C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H39NO12/c1-13(27)32-12-19-20(33-14(2)28)21(34-15(3)29)22(35-16(4)30)23(37-19)36-18-10-24(6,7)26(38-17(5)31)25(8,9)11-18/h18-23H,10-12H2,1-9H3/t19-,20-,21+,22-,23-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@]2(C(=O)OCC3=CC=CC=C3)F)[C@@]([C@@H]1SCC4=CC(=C(C=C4)Cl)Cl)(C(=O)O)N
InChI: InChI=1S/C22H20Cl2FNO4S/c23-15-7-6-13(8-16(15)24)11-31-17-9-14-18(22(17,26)19(27)28)21(14,25)20(29)30-10-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11,26H2,(H,27,28)/t14-,17-,18+,21-,22+/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)C
InChI: InChI=1S/C24H22O13/c1-9(25)33-8-17-22(34-10(2)26)20(32)24(36-17)37-23-19(31)18-15(30)6-12(27)7-16(18)35-21(23)11-3-4-13(28)14(29)5-11/h3-7,17,20,22,24,27-30,32H,8H2,1-2H3/t17-,20+,22-,24-/m0/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)Cl)CBr)Cl
InChI: InChI=1S/C30H25BrCl2N2O8/c1-42-28(41)35-24(37)19-10-9-17-20(22(19)25(35)38)12-29(32)26(39)34(14-31)27(40)30(29,33)23(17)18-8-7-16(11-21(18)36)43-13-15-5-3-2-4-6-15/h2-9,11,19-20,22-23,36H,10,12-14H2,1H3/t19-,20+,22-,23+,29+,30-/m0/s1
SMILES: CCC(=O)OCOC(=O)N1C[C@H](C[C@H]1C(=O)N(C)C)SC2=C(N3[C@H]([C@H]2C)[C@H](C3=O)[C@@H](C)O)C(=O)OCOC(=O)C(C)(C)C
InChI: InChI=1S/C28H41N3O11S/c1-9-18(33)39-12-42-27(38)30-11-16(10-17(30)23(34)29(7)8)43-22-14(2)20-19(15(3)32)24(35)31(20)21(22)25(36)40-13-41-26(37)28(4,5)6/h14-17,19-20,32H,9-13H2,1-8H3/t14-,15-,16+,17+,19-,20-/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)C[C@@H]1OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C4=C3N(C(=O)N(C4=O)COC)COCC5=CC=CC=C5)OS(=O)(=O)C(F)(F)F)OC(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C38H36F3N3O12S/c1-23-9-13-26(14-10-23)35(46)53-20-30-28(55-36(47)27-15-11-24(2)12-16-27)17-31(54-30)42-18-29(56-57(49,50)38(39,40)41)32-33(42)43(37(48)44(21-51-3)34(32)45)22-52-19-25-7-5-4-6-8-25/h4-16,18,28,30-31H,17,19-22H2,1-3H3/t28-,30+,31+/m0/s1
SMILES: C1OC2=C(O1)C=C3C(=C2)[C@H]4C=C[C@H]([C@H]([C@H]4OC3=O)OCC5=CC=CC=C5)O
InChI: InChI=1S/C21H18O6/c22-16-7-6-13-14-8-17-18(26-11-25-17)9-15(14)21(23)27-19(13)20(16)24-10-12-4-2-1-3-5-12/h1-9,13,16,19-20,22H,10-11H2/t13-,16-,19+,20-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)C)(C)O
InChI: InChI=1S/C33H57NO10/c1-12-24-33(9,39)29-20(5)25(35)18(3)14-32(8,41-16-17(2)15-40-29)28(21(6)26(36)22(7)30(38)43-24)44-31-27(37)23(34(10)11)13-19(4)42-31/h18-24,26-29,31,36-37,39H,2,12-16H2,1,3-11H3/t18-,19-,20+,21+,22-,23+,24-,26+,27-,28-,29-,31+,32-,33-/m1/s1
SMILES: CCCS(=O)(=O)N(C)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C(=O)NC(F)(F)F)(C)C)O
InChI: InChI=1S/C17H23F3N2O5S/c1-5-8-28(25,26)22(4)13-11-9-10(15(24)21-17(18,19)20)6-7-12(11)27-16(2,3)14(13)23/h6-7,9,13-14,23H,5,8H2,1-4H3,(H,21,24)/t13-,14+/m0/s1
SMILES: C[C@@H](C1=CC(=O)[C@@H]([C@H]1O)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H28O5Si/c1-8-9-21-16(20)14-13(18)10-12(15(14)19)11(2)22-23(6,7)17(3,4)5/h8,10-11,14-15,19H,1,9H2,2-7H3/t11-,14-,15-/m0/s1
SMILES: C1COC2(O1)[C@@]3([C@H]([C@@]3(C(=N2)N)C#N)C4=CC=CO4)C#N
InChI: InChI=1S/C13H10N4O3/c14-6-11-9(8-2-1-3-18-8)12(11,7-15)13(17-10(11)16)19-4-5-20-13/h1-3,9H,4-5H2,(H2,16,17)/t9-,11+,12+/m0/s1
SMILES: CC1CC2[C@@H](CC[C@H]3[C@@]2(CC[C@@H](C3)O)C)[C@@]4([C@]1([C@H](CC4)C5=CC(=O)OC5)C)O
InChI: InChI=1S/C24H36O4/c1-14-10-20-19(5-4-16-12-17(25)6-8-22(16,20)2)24(27)9-7-18(23(14,24)3)15-11-21(26)28-13-15/h11,14,16-20,25,27H,4-10,12-13H2,1-3H3/t14?,16-,17+,18-,19-,20?,22+,23-,24+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2CCCN2C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H30N2O5/c1-29-15-9-10-20(30-2)18(14-15)19-8-5-12-24(19)21(26)11-13-25-22(27)16-6-3-4-7-17(16)23(25)28/h9-10,14,16-17,19H,3-8,11-13H2,1-2H3/t16-,17+,19-/m0/s1
SMILES: CS(=O)(=O)CC[C@@H](C(=O)N)NC(=O)[C@@]1(C[C@@H]([C@H]([C@@H](C1)O)O)NC(=O)NC2CCCCC2)O
InChI: InChI=1S/C19H34N4O8S/c1-32(30,31)8-7-12(16(20)26)22-17(27)19(29)9-13(15(25)14(24)10-19)23-18(28)21-11-5-3-2-4-6-11/h11-15,24-25,29H,2-10H2,1H3,(H2,20,26)(H,22,27)(H2,21,23,28)/t12-,13-,14+,15+,19-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O
InChI: InChI=1S/C20H23N3O4S/c1-13-6-2-3-9-15(13)21-20(25)22-18(24)12-23-16-10-4-7-14-8-5-11-17(19(14)16)28(23,26)27/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H2,21,22,24,25)/t13-,15-/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1[C@]4([C@@H](C3)Br)[C@H]([C@](C2)(C(=O)OC)Cl)NC5=CC=CC=C45
InChI: InChI=1S/C21H26BrClN2O2/c1-3-19-9-6-10-25-11-15(22)21(17(19)25)13-7-4-5-8-14(13)24-16(21)20(23,12-19)18(26)27-2/h4-5,7-8,15-17,24H,3,6,9-12H2,1-2H3/t15-,16+,17+,19+,20-,21-/m1/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCl)OC)SC2)C(=O)O
InChI: InChI=1S/C13H15ClN6O5S2/c1-19-12(16-17-18-19)27-5-6-4-26-11-13(25-2,15-7(21)3-14)10(24)20(11)8(6)9(22)23/h11H,3-5H2,1-2H3,(H,15,21)(H,22,23)/t11-,13+/m1/s1
SMILES: CN(C)C(=O)C=CC1=CC(=CC=C1)C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OCO3)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NCCO
InChI: InChI=1S/C32H37N3O8/c1-34(2)28(37)13-12-22-10-7-11-23(16-22)32(40)43-27-19-24(18-26-29(27)42-20-41-26)31(39)35(3)25(30(38)33-14-15-36)17-21-8-5-4-6-9-21/h4-13,16,18,25-27,29,36H,14-15,17,19-20H2,1-3H3,(H,33,38)/t25-,26-,27-,29-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O
InChI: InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9+,11-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H20Cl2N2O5/c20-12-6-5-11(15(21)7-12)8-22-16(24)10-28-17(25)9-23-18(26)13-3-1-2-4-14(13)19(23)27/h5-7,13-14H,1-4,8-10H2,(H,22,24)/t13-,14-/m1/s1
SMILES: CC1=C2C=C3[C@@]([C@H](C[C@@]3([C@@H]([C@H]2OC1=O)C(=O)C)O)OC)(C)O
InChI: InChI=1S/C16H20O6/c1-7-9-5-10-15(3,19)11(21-4)6-16(10,20)12(8(2)17)13(9)22-14(7)18/h5,11-13,19-20H,6H2,1-4H3/t11-,12+,13-,15+,16+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/SC2=O
InChI: InChI=1S/C21H26N2O5S/c1-13-6-4-5-7-15(13)22-19(24)12-23-20(25)18(29-21(23)26)11-14-8-9-16(27-2)17(10-14)28-3/h8-11,13,15H,4-7,12H2,1-3H3,(H,22,24)/b18-11-/t13-,15+/m1/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@H](C[C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)N
InChI: InChI=1S/C29H33NO11/c1-12-35-10-22-28(39-12)17(30)8-23(40-22)41-27-15-7-19-18(37-11-38-19)6-14(15)24(25-16(27)9-36-29(25)32)13-4-20(33-2)26(31)21(5-13)34-3/h4-7,12,16-17,22-25,27-28,31H,8-11,30H2,1-3H3/t12-,16+,17+,22-,23+,24-,25+,27-,28+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](C(=C(N1)C)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C16H17N3O4/c1-9-13(8-17)15(14(10(2)18-9)16(20)23-3)11-5-4-6-12(7-11)19(21)22/h4-7,10,14-15,18H,1-3H3/t10-,14-,15-/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)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=NN=CN6C
InChI: InChI=1S/C38H41N5O6S2/c1-25-9-19-32(20-10-25)51(46,47)42-33(21-27-7-5-4-6-8-27)36(45)40-31-17-15-30(16-18-31)37-48-34(23-50-38-41-39-24-43(38)3)26(2)35(49-37)29-13-11-28(22-44)12-14-29/h4-20,24,26,33-35,37,42,44H,21-23H2,1-3H3,(H,40,45)/t26-,33-,34+,35+,37+/m1/s1
SMILES: C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C34H44O20/c35-11-20-24(43)26(45)31(54-33-27(46)25(44)21(12-36)49-33)34(50-20)53-30-28(47)32(48-8-7-15-2-5-17(39)19(41)10-15)51-22(13-37)29(30)52-23(42)6-3-14-1-4-16(38)18(40)9-14/h1-6,9-10,20-22,24-41,43-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30-,31+,32-,33?,34+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC
InChI: InChI=1S/C17H23ClN2O5S/c1-11-5-3-4-6-14(11)20-16(21)10-25-17(22)12-7-8-13(18)15(9-12)26(23,24)19-2/h7-9,11,14,19H,3-6,10H2,1-2H3,(H,20,21)/t11-,14+/m1/s1
SMILES: CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)/C=C/C#N)C
InChI: InChI=1S/C14H19NO5/c1-12(2)17-9-8-16-14(6-5-7-15)11(10(9)18-12)19-13(3,4)20-14/h5-6,9-11H,8H2,1-4H3/b6-5+/t9-,10-,11+,14+/m1/s1
SMILES: CC[C@@]1(CCCC2[C@H]1[C@H]3[C@@](CCCC3(O2)O)(CC)OCOCC4=CC=CC=C4)OCOCC5=CC=CC=C5
InChI: InChI=1S/C32H44O6/c1-3-30(36-23-34-21-25-13-7-5-8-14-25)18-11-17-27-28(30)29-31(4-2,19-12-20-32(29,33)38-27)37-24-35-22-26-15-9-6-10-16-26/h5-10,13-16,27-29,33H,3-4,11-12,17-24H2,1-2H3/t27?,28-,29-,30-,31-,32?/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=CS4
InChI: InChI=1S/C23H21N3OS/c1-22(2,3)21(27)19-18(17-9-6-12-28-17)23(13-24,14-25)20-16-8-5-4-7-15(16)10-11-26(19)20/h4-12,18-20H,1-3H3/t18-,19+,20-/m0/s1
SMILES: CCC1=CC(=C(C(=S)N1[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=CO3
InChI: InChI=1S/C26H28N2O10S/c1-6-17-10-18(20-8-7-9-33-20)19(11-27)26(39)28(17)25-24(37-16(5)32)23(36-15(4)31)22(35-14(3)30)21(38-25)12-34-13(2)29/h7-10,21-25H,6,12H2,1-5H3/t21-,22-,23-,24-,25-/m0/s1
SMILES: CC1=CC=C(C=C1)OCCOC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H21NO5/c1-13-6-8-14(9-7-13)24-10-11-25-17(21)12-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-3,6-9,15-16H,4-5,10-12H2,1H3/t15-,16-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CNC3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H19ClN2O2/c1-10-5-6-13-14(7-10)16(21)19(15(13)20)9-18-12-4-2-3-11(17)8-12/h2-4,8,10,13-14,18H,5-7,9H2,1H3/t10-,13+,14-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OCC1=C[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H39N5O3Si2/c1-21(2,3)31(7,8)28-12-15-11-16(30-32(9,10)22(4,5)6)20(29-15)27-14-26-17-18(23)24-13-25-19(17)27/h11,13-14,16,20H,12H2,1-10H3,(H2,23,24,25)/t16-,20-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2O[C@@H]3[C@H](O2)[C@](O[C@@H]3OC(=O)C4=CC(=CC=C4)F)(CCO)CO
InChI: InChI=1S/C21H21FO7/c22-15-8-4-7-14(11-15)18(25)28-20-16-17(21(12-24,29-20)9-10-23)27-19(26-16)13-5-2-1-3-6-13/h1-8,11,16-17,19-20,23-24H,9-10,12H2/t16-,17+,19+,20+,21+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@H](CC1=O)O[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2
InChI: InChI=1S/C22H35NO4Si/c1-21(2,3)26-20(25)23-17(14-16-12-10-9-11-13-16)18(15-19(23)24)27-28(7,8)22(4,5)6/h9-13,17-18H,14-15H2,1-8H3/t17-,18-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC
InChI: InChI=1S/C16H27N3O4/c1-11-5-3-4-6-12(11)18-14(20)10-19-8-7-17-16(22)13(19)9-15(21)23-2/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/p+1/t11-,12-,13-/m0/s1
SMILES: C1=CC=C(C=C1)SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI: InChI=1S/C16H17N5O3S/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(24-16)6-25-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CC[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)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C92H148O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-61-71-88(93)96-79-85(100-89(94)72-62-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)73-74-86-90(97-76-82-65-55-50-56-66-82)92(99-78-84-69-59-52-60-70-84)91(98-77-83-67-57-51-58-68-83)87(101-86)80-95-75-81-63-53-49-54-64-81/h49-60,63-70,85-87,90-92H,3-48,61-62,71-80H2,1-2H3/t85-,86-,87+,90-,91+,92+/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C19H23NO5S/c1-4-25-19(24)12-8-13(9(2)3)26-17(12)20-16(21)14-10-5-6-11(7-10)15(14)18(22)23/h5-6,8-11,14-15H,4,7H2,1-3H3,(H,20,21)(H,22,23)/t10-,11+,14+,15+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@H]4[C@H](CCN4C)CN3C2(C)C
InChI: InChI=1S/C17H30N2O/c1-11-5-6-13-14(9-11)20-16-15-12(7-8-18(15)4)10-19(16)17(13,2)3/h11-16H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C(Cl)(Cl)Cl)CN4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
InChI: InChI=1S/C34H37Cl3N4O5/c1-22-28(19-40-16-14-33(15-17-40)31(43)38-21-41(33)27-8-3-2-4-9-27)45-30(46-29(22)24-12-10-23(20-42)11-13-24)25-6-5-7-26(18-25)39-32(44)34(35,36)37/h2-13,18,22,28-30,42H,14-17,19-21H2,1H3,(H,38,43)(H,39,44)/t22-,28+,29+,30+/m0/s1