EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C(=C\C(=O)O[C@H]1C=C([C@@]23C[C@@H]2CC[C@]4([C@@H]3[C@@H]1OC4=O)C)C=C)/C=O
InChI: InChI=1S/C20H22O5/c1-4-12-8-14(24-15(22)7-11(2)10-21)16-17-19(3,18(23)25-16)6-5-13-9-20(12,13)17/h4,7-8,10,13-14,16-17H,1,5-6,9H2,2-3H3/b11-7+/t13-,14-,16+,17-,19-,20-/m0/s1
SMILES: CN([C@@H]1CC[C@]2(CCCO2)C[C@H]1N3CCCC3)C(=O)COC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C26H34N2O3/c1-27(25(29)19-30-22-10-9-20-7-2-3-8-21(20)17-22)23-11-13-26(12-6-16-31-26)18-24(23)28-14-4-5-15-28/h2-3,7-10,17,23-24H,4-6,11-16,18-19H2,1H3/t23-,24-,26-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H](C2=C1C3=C(C=CC4=CC=CC=C43)C=C2)O)O)O
InChI: InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C3C2CC[C@@]4([C@@]3(CC[C@H]4C5CC(OC5O)C6C(O6)(C)C)C)C)C
InChI: InChI=1S/C32H50O5/c1-18(33)35-25-13-14-30(6)21-12-16-31(7)20(19-17-23(36-27(19)34)26-29(4,5)37-26)11-15-32(31,8)22(21)9-10-24(30)28(25,2)3/h9,19-21,23-27,34H,10-17H2,1-8H3/t19?,20-,21?,23?,24-,25-,26?,27?,30+,31-,32+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C(=C)C
InChI: InChI=1S/C26H38O5/c1-15(2)26(5,6)25(29)31-22-12-16(3)11-18-8-7-17(4)21(24(18)22)10-9-20-13-19(27)14-23(28)30-20/h7-8,11,16-17,19-22,24,27H,1,9-10,12-14H2,2-6H3/t16-,17-,19+,20+,21-,22-,24-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCN3C(=O)C4=CC=CC=C4C3=O)C[C@@H]1C5=CC=C(C=C5)I
InChI: InChI=1S/C26H27IN2O4/c1-33-26(32)23-21(16-7-9-17(27)10-8-16)15-18-11-12-22(23)28(18)13-4-14-29-24(30)19-5-2-3-6-20(19)25(29)31/h2-3,5-10,18,21-23H,4,11-15H2,1H3/t18-,21+,22+,23-/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H19N3O3S/c27-21(19-7-4-12-30-19)25-18-10-11-26-20(18)22(28)24-17-9-8-15(13-16(17)23(26)29)14-5-2-1-3-6-14/h1-9,12-13,18,20H,10-11H2,(H,24,28)(H,25,27)/t18-,20-/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F
InChI: InChI=1S/C18H12FN3O5/c1-9-2-7-12(22(25)26)8-13(9)21-17(23)14-15(20-27-16(14)18(21)24)10-3-5-11(19)6-4-10/h2-8,14,16H,1H3/t14-,16-/m0/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)CCCC2=O)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)OC[C@@H]4CCCO4
InChI: InChI=1S/C25H31NO7/c1-14-20(25(28)33-13-15-7-6-12-32-15)21(22-17(26-14)8-5-9-18(22)27)16-10-11-19(29-2)24(31-4)23(16)30-3/h10-11,15,21-22H,5-9,12-13H2,1-4H3/t15-,21+,22+/m0/s1
SMILES: CC12CC(C3(C(C1C[C@@H]4[C@]2(OC(O4)C=C)C(=O)CO)CCC5=CC(=O)C=CC53C)F)O
InChI: InChI=1S/C24H29FO6/c1-4-20-30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,2)23(15,25)17(28)11-22(16,3)24(19,31-20)18(29)12-26/h4,7-9,15-17,19-20,26,28H,1,5-6,10-12H2,2-3H3/t15?,16?,17?,19-,20?,21?,22?,23?,24-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H22FN3O4S/c1-12-4-2-3-5-15(12)23-20(27)24-17(25)10-28-19(26)16-11-29-18(22-16)13-6-8-14(21)9-7-13/h6-9,11-12,15H,2-5,10H2,1H3,(H2,23,24,25,27)/t12-,15+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO)C
InChI: InChI=1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1
SMILES: COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C20H26N4O2S2/c1-26-17-11-5-3-9-15(17)21-19-22-23-20(28-19)27-13-18(25)24-12-6-8-14-7-2-4-10-16(14)24/h3,5,9,11,14,16H,2,4,6-8,10,12-13H2,1H3,(H,21,22)/t14-,16-/m0/s1
SMILES: CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C6=C(C=CC(=C6)OC)OC
InChI: InChI=1S/C35H50O9/c1-18(37)29-24(23-15-20(41-4)7-9-27(23)42-5)16-26-22-8-6-19-14-21(10-12-34(19,2)25(22)11-13-35(26,29)3)43-33-32(40)31(39)30(38)28(17-36)44-33/h6-7,9,15,21-22,24-26,28-33,36,38-40H,8,10-14,16-17H2,1-5H3/t21?,22?,24?,25?,26?,28-,29?,30-,31+,32+,33?,34?,35?/m1/s1
SMILES: CC(=O)NC1=CC(=C(C=C1)NC(=O)C)N[C@@H]2[C@@H]([C@H]([C@H](O2)C(CO)O)O)O
InChI: InChI=1S/C16H23N3O7/c1-7(21)17-9-3-4-10(18-8(2)22)11(5-9)19-16-14(25)13(24)15(26-16)12(23)6-20/h3-5,12-16,19-20,23-25H,6H2,1-2H3,(H,17,21)(H,18,22)/t12?,13-,14-,15-,16+/m1/s1
SMILES: CC(C)(C)C(=O)CC\1=N[C@@H]2CCCC[C@H]2N/C1=C\C(=O)C(C)(C)C
InChI: InChI=1S/C20H32N2O2/c1-19(2,3)17(23)11-15-16(12-18(24)20(4,5)6)22-14-10-8-7-9-13(14)21-15/h11,13-14,21H,7-10,12H2,1-6H3/b15-11-/t13-,14-/m1/s1
SMILES: C1CNC[C@H]([C@H]1C2=CC=C(C=C2)F)OCC3=CC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5
InChI: InChI=1S/C29H28FNO2/c30-25-12-10-23(11-13-25)27-14-15-31-18-29(27)33-20-22-16-24-8-4-5-9-26(24)28(17-22)32-19-21-6-2-1-3-7-21/h1-13,16-17,27,29,31H,14-15,18-20H2/t27-,29-/m1/s1
SMILES: CC[C@@H]1C[C@@H]2C[C@](N3C4=CC=CC=C4C5=C3[C@@H]2N(C1)CC5)(C(=O)OC)N(C)C
InChI: InChI=1S/C23H31N3O2/c1-5-15-12-16-13-23(24(2)3,22(27)28-4)26-19-9-7-6-8-17(19)18-10-11-25(14-15)20(16)21(18)26/h6-9,15-16,20H,5,10-14H2,1-4H3/t15-,16-,20-,23+/m1/s1
SMILES: CCC(=C)C1=CC=C(C=C1)C(=C)[C@H]2CN[C@@H]([C@H]2CC(=O)O)C(=O)O
InChI: InChI=1S/C19H23NO4/c1-4-11(2)13-5-7-14(8-6-13)12(3)16-10-20-18(19(23)24)15(16)9-17(21)22/h5-8,15-16,18,20H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
SMILES: C[C@H]1CC2=C([C@H](OC2=O)C)C([C@@H]1C)/C=C/C3=NC=C(C=C3)C4=CC=CC=C4C#N
InChI: InChI=1S/C25H24N2O2/c1-15-12-23-24(17(3)29-25(23)28)21(16(15)2)11-10-20-9-8-19(14-27-20)22-7-5-4-6-18(22)13-26/h4-11,14-17,21H,12H2,1-3H3/b11-10+/t15-,16+,17+,21?/m0/s1
SMILES: CCOP(=O)([C@@H]1CCCC[C@H]1OS(=O)(=O)C2=CC=C(C=C2)C)OCC
InChI: InChI=1S/C17H27O6PS/c1-4-21-24(18,22-5-2)17-9-7-6-8-16(17)23-25(19,20)15-12-10-14(3)11-13-15/h10-13,16-17H,4-9H2,1-3H3/t16-,17-/m1/s1
SMILES: CN1C(=O)C2=C(N[C@@H]([C@H](C(=N2)C3=CC=CC=C3)[C@@H](CC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=C1SC
InChI: InChI=1S/C36H32N4O2S/c1-40-35(42)33-34(39-36(40)43-2)38-32(27-21-13-6-14-22-27)30(31(37-33)26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)23-29(41)25-17-9-4-10-18-25/h3-22,28,30,32,38H,23H2,1-2H3/t28-,30-,32+/m0/s1
SMILES: [B-](F)(F)(F)F.C[C@@]12[C@@H]3CC[C@@H]4[C@H]1[C@@H]5CC[C@H]2[N+]6(N5CN4N36)C
InChI: InChI=1S/C13H21N4.BF4/c1-13-10-5-3-8-12(13)9-4-6-11(13)17(2)15(9)7-14(8)16(10)17;2-1(3,4)5/h8-12H,3-7H2,1-2H3;/q+1;-1/t8-,9+,10+,11-,12+,13+,17?;/m1./s1
SMILES: CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChI: InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1
SMILES: COC1=CC=CC(=C1O)[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)Br
InChI: InChI=1S/C39H28BrCl2F3N4O6/c1-55-29-4-2-3-25(32(29)50)31-23-13-14-24-30(36(53)48(34(24)51)22-11-7-20(40)8-12-22)26(23)16-27-35(52)49(37(54)38(27,31)18-5-9-21(41)10-6-18)47-33-28(42)15-19(17-46-33)39(43,44)45/h2-13,15,17,24,26-27,30-31,50H,14,16H2,1H3,(H,46,47)/t24-,26+,27-,30-,31+,38+/m0/s1
SMILES: COC1=CC=C(C=C1)CC2C(=O)[C@@H]3[C@](C2=O)(CC(=O)O3)OC(=O)OC
InChI: InChI=1S/C17H16O8/c1-22-10-5-3-9(4-6-10)7-11-13(19)15-17(14(11)20,8-12(18)24-15)25-16(21)23-2/h3-6,11,15H,7-8H2,1-2H3/t11?,15-,17-/m1/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@@H]([C@@H]2CC4=C3N(C5=C4C=C(C=C5)OC)C)C(=O)OC
InChI: InChI=1S/C22H26N2O3/c1-5-12-11-24-18-10-16-15-8-13(26-3)6-7-17(15)23(2)21(16)19(24)9-14(12)20(18)22(25)27-4/h5-8,14,18-20H,9-11H2,1-4H3/b12-5-/t14-,18-,19-,20-/m0/s1
SMILES: C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC=C)/C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C18H19N5O5S2/c1-3-5-9-7-29-16-12(15(25)23(16)13(9)17(26)27)21-14(24)11(22-28-6-4-2)10-8-30-18(19)20-10/h3-5,8,12,16H,2,6-7H2,1H3,(H2,19,20)(H,21,24)(H,26,27)/b5-3-,22-11-/t12-,16-/m1/s1
SMILES: CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=C(N3)C=CC(=C4)C(=O)C)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChI: InChI=1S/C47H56N4O9/c1-9-28-18-29-22-46(42(54)58-7,38-32(25-50(23-28)24-29)31-19-30(26(3)52)12-13-35(31)48-38)34-20-33-36(21-37(34)57-6)49(5)40-45(33)15-17-51-16-11-14-44(10-2,39(45)51)41(60-27(4)53)47(40,56)43(55)59-8/h11-14,18-21,29,39-41,48,56H,9-10,15-17,22-25H2,1-8H3/t29-,39+,40-,41-,44-,45-,46+,47+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H31N3O3S/c25-21(23-11-10-18-6-4-5-7-19(18)16-23)17-22-12-14-24(15-13-22)28(26,27)20-8-2-1-3-9-20/h1-3,8-9,18-19H,4-7,10-17H2/t18-,19-/m1/s1
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)N6CCCC6)O
InChI: InChI=1S/C33H47N5O3S/c1-21(31(41)38-13-5-6-14-38)25-11-12-33(3)19-26-28(22(2)27(33)29(25)39)34-32(42-26)35-30(40)24-9-7-23(8-10-24)20-37-17-15-36(4)16-18-37/h7-10,21-22,25,27,29,39H,5-6,11-20H2,1-4H3,(H,34,35,40)/t21-,22-,25-,27+,29-,33+/m0/s1
SMILES: CCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=CC=C3C
InChI: InChI=1S/C15H18N2O3S2/c1-3-14(18)16-15-17(11-7-5-4-6-10(11)2)12-8-22(19,20)9-13(12)21-15/h4-7,12-13H,3,8-9H2,1-2H3/t12-,13-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC3=CC=CC=C3)CO)Cl
InChI: InChI=1S/C16H17ClN2O4/c17-12-7-14(23-13(12)9-20)19-8-11(15(21)18-16(19)22)6-10-4-2-1-3-5-10/h1-5,8,12-14,20H,6-7,9H2,(H,18,21,22)/t12-,13+,14+/m0/s1
SMILES: CCCC[C@]1(C(=O)N(C(=O)N1)CC(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C)C3=CC=C(C=C3)F
InChI: InChI=1S/C23H32FN3O3/c1-4-5-13-23(17-9-11-18(24)12-10-17)21(29)27(22(30)26-23)14-20(28)25-19-8-6-7-15(2)16(19)3/h9-12,15-16,19H,4-8,13-14H2,1-3H3,(H,25,28)(H,26,30)/t15-,16-,19-,23+/m0/s1
SMILES: C1C[C@@H]2C3=CC=CC=C3CC[C@]2(C4=C(C(=O)C[C@H]41)C5=CC=CC=C5)O
InChI: InChI=1S/C23H22O2/c24-20-14-17-10-11-19-18-9-5-4-6-15(18)12-13-23(19,25)22(17)21(20)16-7-2-1-3-8-16/h1-9,17,19,25H,10-14H2/t17-,19-,23+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)N4CCCC4
InChI: InChI=1S/C21H27N3O3/c25-19(22-15-7-9-16(10-8-15)23-12-3-4-13-23)11-14-24-20(26)17-5-1-2-6-18(17)21(24)27/h7-10,17-18H,1-6,11-14H2,(H,22,25)/t17-,18+
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)OCC=C
InChI: InChI=1S/C17H22O6/c1-3-9-20-15-13(18)14-12(22-17(15)19-2)10-21-16(23-14)11-7-5-4-6-8-11/h3-8,12-18H,1,9-10H2,2H3/t12-,13+,14-,15-,16?,17+/m1/s1
SMILES: C[C@H](/C=C/C(=C1CCC1)C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C29H42O2/c1-19(22-7-5-8-22)10-11-20(2)26-14-15-27-23(9-6-16-29(26,27)4)12-13-24-17-25(30)18-28(31)21(24)3/h10-13,20,25-28,30-31H,3,5-9,14-18H2,1-2,4H3/b11-10+,23-12+,24-13-/t20-,25-,26-,27+,28+,29-/m1/s1
SMILES: C1CN(CCN1[C@@H]2CN(C[C@H]2O)C3=NC(=NC4=CC=CC=C43)C(=O)O)C(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H24ClN5O4/c25-16-7-5-15(6-8-16)23(32)29-11-9-28(10-12-29)19-13-30(14-20(19)31)22-17-3-1-2-4-18(17)26-21(27-22)24(33)34/h1-8,19-20,31H,9-14H2,(H,33,34)/t19-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4C)C5=CC=CO5
InChI: InChI=1S/C23H20N2O4/c1-14-9-11-16(12-10-14)24-22(26)19-20(18-8-5-13-28-18)25(29-21(19)23(24)27)17-7-4-3-6-15(17)2/h3-13,19-21H,1-2H3/t19-,20-,21+/m0/s1
SMILES: C1=C[C@H]2[C@H]([C@@H]([C@@H]1O2)C(=O)NC3=CC=C(C=C3)I)C(=O)O
InChI: InChI=1S/C14H12INO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/t9-,10+,11-,12-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CCO)N)O)O)N
InChI: InChI=1S/C13H20N6O4/c14-6(1-2-20)3-7-9(21)10(22)13(23-7)19-5-18-8-11(15)16-4-17-12(8)19/h4-7,9-10,13,20-22H,1-3,14H2,(H2,15,16,17)/t6-,7+,9+,10+,13+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C54H53N5O10/c1-33(2)44(50(63)67-3)56-53(66)58-42-26-17-34(12-10-11-29-60)32-41(42)54(52(58)65)43(49(62)55-38-20-22-39(23-21-38)57-27-30-68-31-28-57)46-51(64)69-47(36-15-8-5-9-16-36)45(35-13-6-4-7-14-35)59(46)48(54)37-18-24-40(61)25-19-37/h4-9,13-26,32-33,43-48,60-61H,11,27-31H2,1-3H3,(H,55,62)(H,56,66)/t43-,44-,45-,46-,47+,48+,54-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]
InChI: InChI=1S/C14H20N2O4S/c1-10-5-3-4-6-12(10)15-13-8-7-11(21(2,19)20)9-14(13)16(17)18/h7-10,12,15H,3-6H2,1-2H3/t10-,12-/m1/s1
SMILES: [2H][C@]1([C@@H]([C@H](O[C@H]1N2C=NC=C2N)COP(=O)(O)O)O)O
InChI: InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1/i7D
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)OC(=O)CN3CCOCC3)([C@@]4([C@@]1(O[C@@](CC4=O)(C)C=C)C)O)C)O.Cl
InChI: InChI=1S/C28H43NO9.ClH/c1-8-25(5)15-18(31)28(34)26(6)19(37-20(32)16-29-11-13-35-14-12-29)9-10-24(3,4)22(26)21(33)23(36-17(2)30)27(28,7)38-25;/h8,19,21-23,33-34H,1,9-16H2,2-7H3;1H/t19-,21-,22-,23-,25-,26-,27+,28-;/m0./s1
SMILES: CC(=O)OC1=C(C=C(C=C1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC
InChI: InChI=1S/C16H21NO9/c1-7(19)25-10-4-3-8(5-9(10)16(23)24-2)17-15-14(22)13(21)12(20)11(6-18)26-15/h3-5,11-15,17-18,20-22H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3[C@@H](O[C@@H](C3=CCC2C1(C)C)OC)OC)C
InChI: InChI=1S/C19H30O5/c1-11(20)23-14-9-10-19(4)13(18(14,2)3)8-7-12-15(19)17(22-6)24-16(12)21-5/h7,13-17H,8-10H2,1-6H3/t13?,14-,15+,16-,17+,19-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[14C](=O)OC)CC[C@@H]4[C@@]3(CCC(=O)N4C)C
InChI: InChI=1S/C21H33NO3/c1-20-11-9-15-13(14(20)6-7-16(20)19(24)25-4)5-8-17-21(15,2)12-10-18(23)22(17)3/h13-17H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,20-,21+/m0/s1/i19+2
SMILES: CN(C)C(=O)[C@@H]1[C@H](OC(O1)/N=C/C2=CC=CC=C2)C(=O)N(C)C
InChI: InChI=1S/C16H21N3O4/c1-18(2)14(20)12-13(15(21)19(3)4)23-16(22-12)17-10-11-8-6-5-7-9-11/h5-10,12-13,16H,1-4H3/b17-10+/t12-,13-/m0/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)NC4=CC=C(C=C4)OC5=CC=CC=C5)CN6CCCCC6
InChI: InChI=1S/C37H41N3O5/c1-26-34(24-40-21-6-3-7-22-40)44-36(45-35(26)28-15-13-27(25-41)14-16-28)29-9-8-10-31(23-29)39-37(42)38-30-17-19-33(20-18-30)43-32-11-4-2-5-12-32/h2,4-5,8-20,23,26,34-36,41H,3,6-7,21-22,24-25H2,1H3,(H2,38,39,42)/t26-,34+,35+,36+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2CC3CCC([C@H]2C(=O)OC)N3C/C=C/I
InChI: InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15?,16-,17?,18+/m1/s1
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C37H65N11O10S2/c1-21(2)15-22(16-29(50)48-58)34(54)45-25(19-59)36(56)44-24(10-5-7-13-38)35(55)42-17-30(51)41-18-31(52)43-23(33(39)53)9-6-8-14-40-28(49)12-4-3-11-27-32-26(20-60-27)46-37(57)47-32/h21-27,32,58-59H,3-20,38H2,1-2H3,(H2,39,53)(H,40,49)(H,41,51)(H,42,55)(H,43,52)(H,44,56)(H,45,54)(H,48,50)(H2,46,47,57)/t22?,23-,24-,25-,26-,27-,32-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2C[C@@](C=C1C3=COC=C3)(C(=O)O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H38O5Si2/c1-21(2,3)29(7,8)27-19-17(16-11-12-25-15-16)13-23(14-18(19)26-20(23)24)28-30(9,10)22(4,5)6/h11-13,15,18-19H,14H2,1-10H3/t18-,19-,23+/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2C(=C(N5CC6=CC=CC=C6)C)C(=O)C)O)/C
InChI: InChI=1S/C49H58N2O12/c1-23-16-15-17-24(2)48(59)50-39-36-34(30(8)52)29(7)51(22-32-18-13-12-14-19-32)40(36)35-37(44(39)57)43(56)28(6)46-38(35)47(58)49(10,63-46)61-21-20-33(60-11)25(3)45(62-31(9)53)27(5)42(55)26(4)41(23)54/h12-21,23,25-27,33,41-42,45,54-57H,22H2,1-11H3,(H,50,59)/b16-15+,21-20+,24-17-/t23-,25+,26+,27+,33-,41-,42+,45+,49-/m0/s1
SMILES: CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C14H21N5O4/c1-3-18(4-2)12-9-13(16-6-15-12)19(7-17-9)14-11(22)10(21)8(5-20)23-14/h6-8,10-11,14,20-22H,3-5H2,1-2H3/t8-,10+,11+,14+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C4=C(C(=O)N(C=N4)COCCOP(=O)(SC5=CC=CC=C5)SC6=CC=CC=C6)N=C3Br)COP(=O)(NC7=CC=CC=C7)NC8=CC=CC=C8)C
InChI: InChI=1S/C40H41BrN6O9P2S2/c1-40(2)55-34-32(25-53-57(49,44-28-15-7-3-8-16-28)45-29-17-9-4-10-18-29)54-38(35(34)56-40)47-36-33(43-39(47)41)37(48)46(26-42-36)27-51-23-24-52-58(50,59-30-19-11-5-12-20-30)60-31-21-13-6-14-22-31/h3-22,26,32,34-35,38H,23-25,27H2,1-2H3,(H2,44,45,49)/t32-,34-,35-,38-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]2CCC[C@@H]2C(=O)O
InChI: InChI=1S/C26H42N4O8/c1-14(2)11-18(22(27)33)28-25(36)20(13-21(31)32)30-24(35)19(12-15-7-4-3-5-8-15)29-23(34)16-9-6-10-17(16)26(37)38/h14-20H,3-13H2,1-2H3,(H2,27,33)(H,28,36)(H,29,34)(H,30,35)(H,31,32)(H,37,38)/t16-,17-,18-,19-,20-/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCC3=CC=CC=C3)N2CC4=CC=CC=C4
InChI: InChI=1S/C21H22N2O3S2/c24-20(12-11-16-7-3-1-4-8-16)22-21-23(13-17-9-5-2-6-10-17)18-14-28(25,26)15-19(18)27-21/h1-10,18-19H,11-15H2/t18-,19+/m1/s1
SMILES: CC(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=C(CCCCCOC(=O)N1)C=C6)C7=CSC(=N7)NC(C)C
InChI: InChI=1S/C40H51N7O8S2/c1-6-25-19-40(25,37(50)46-57(52,53)27-12-13-27)45-35(48)32-17-26-20-47(32)36(49)34(22(2)3)44-39(51)54-15-9-7-8-10-24-11-14-29-28(16-24)33(55-26)18-30(42-29)31-21-56-38(43-31)41-23(4)5/h6,11,14,16,18,21-23,25-27,32,34H,1,7-10,12-13,15,17,19-20H2,2-5H3,(H,41,43)(H,44,51)(H,45,48)(H,46,50)/t25-,26-,32+,34+,40-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C
InChI: InChI=1S/C22H29N3O4/c1-13(2)25-21(27)17-10-6-5-9-16(17)20(24-25)22(28)29-12-19(26)23-18-11-7-8-14(3)15(18)4/h5-6,9-10,13-15,18H,7-8,11-12H2,1-4H3,(H,23,26)/t14-,15+,18+/m0/s1
SMILES: CC1C(C(C(C(O1)OC2CC[C@@]3(C4CC[C@@]5(C(CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC)O
InChI: InChI=1S/C31H46O10/c1-17-24(34)25(37-3)26(38-4)27(40-17)41-19-5-10-29(16-32)21-6-9-28(2)20(18-13-23(33)39-15-18)8-12-31(28,36)22(21)7-11-30(29,35)14-19/h13,16-17,19-22,24-27,34-36H,5-12,14-15H2,1-4H3/t17?,19?,20?,21?,22-,24?,25?,26?,27?,28-,29+,30+,31+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)Br)C(F)(F)F)C(=O)OC
InChI: InChI=1S/C24H19BrF3N3O5S/c1-35-14-6-3-12(4-7-14)19-15(10-29)22(31-21(33)20(19)23(34)36-2)37-11-18(32)30-17-8-5-13(25)9-16(17)24(26,27)28/h3-9,19-20H,11H2,1-2H3,(H,30,32)(H,31,33)/t19-,20-/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C16H17NO4/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-7,9-10,13-14H,8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-,10+,13+,14+/m1/s1
SMILES: CN1C(=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=C5OC)O)OC)Cl)CBr)Cl
InChI: InChI=1S/C24H23BrCl2N2O7/c1-28-19(31)12-5-4-11-13(16(12)20(28)32)8-23(26)21(33)29(9-25)22(34)24(23,27)18(11)17-14(35-2)6-10(30)7-15(17)36-3/h4,6-7,12-13,16,18,30H,5,8-9H2,1-3H3/t12-,13+,16-,18+,23+,24-/m0/s1
SMILES: CCS[P@@]1(=O)[C@H](CN(N=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H22N3O4PS/c1-2-33-32(31)22(18-9-5-3-6-10-18)17-26(20-11-7-4-8-12-20)25-24(32)23(28)19-13-15-21(16-14-19)27(29)30/h3-16,22H,2,17H2,1H3/t22-,32+/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)[C@H]3C[C@]4([C@@H](CC[C@]4(/C=C\CO)O)[C@H]5[C@H]3[C@@]6(O2)CCC(=O)C=C6CC5)C
InChI: InChI=1S/C29H34O5/c1-17(31)18-4-6-21-23-16-27(2)24(9-11-28(27,33)10-3-13-30)22-7-5-19-15-20(32)8-12-29(19,26(22)23)34-25(21)14-18/h3-4,6,10,14-15,22-24,26,30,33H,5,7-9,11-13,16H2,1-2H3/b10-3-/t22-,23+,24-,26+,27-,28-,29+/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NS(=O)(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CS5
InChI: InChI=1S/C20H17N3O4S3/c24-19-18-15(22-30(26,27)17-4-2-10-29-17)7-8-23(18)20(25)13-11-12(5-6-14(13)21-19)16-3-1-9-28-16/h1-6,9-11,15,18,22H,7-8H2,(H,21,24)/t15-,18-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C(=O)C4=CC=CO4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC7=CC=CC=C7S6)C
InChI: InChI=1S/C40H46N2O5S/c1-27-7-5-16-39(2)33(15-17-40(39,46)26-41-18-20-42(21-19-41)38(45)34-9-6-22-47-34)31-14-12-28(23-30(43)13-11-27)24-32(31)37(44)36-25-29-8-3-4-10-35(29)48-36/h3-4,6-10,12,14,22,24-25,30,33,43,46H,5,11,13,15-21,23,26H2,1-2H3/t30-,33-,39-,40+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)ONC(=C)C2=CC=C(C=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O4/c1-15-7-9-18(10-8-15)24(29)30-25-16(2)17-11-13-19(14-12-17)26-22(27)20-5-3-4-6-21(20)23(26)28/h7-14,20-21,25H,2-6H2,1H3/t20-,21+
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@@]([C@H](O2)OC)(C#C)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C20H38O6Si2/c1-11-20(21)18-17(24-19(20)22-10)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h1,13-19,21H,12H2,2-10H3/t17-,18-,19+,20-/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC(=CC=C5)C=COCCO)C(=O)NCC6=CC(=CC=C6)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C48H67N3O12/c1-6-8-10-21-47(22-11-9-7-2)61-39-37-28-48(45(57)49-29-33-15-13-17-35(27-33)43(55)50-36(31-53)18-19-38(54)60-46(3,4)5)41(44(56)59-37)51(63-42(48)40(39)62-47)30-34-16-12-14-32(26-34)20-24-58-25-23-52/h12-17,20,24,26-27,36-37,39-42,52-53H,6-11,18-19,21-23,25,28-31H2,1-5H3,(H,49,57)(H,50,55)/t36-,37+,39-,40-,41-,42+,48-/m0/s1
SMILES: CC1=CC(=NC(=C1C#N)SC[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=CC=C7C8=CC=CC=C8)C)O)C
InChI: InChI=1S/C43H46N2O3S/c1-27-22-28(2)45-38(33(27)25-44)49-26-42(48)19-16-36-40(42,4)18-15-35-39(3)17-14-30(46)23-41(39)20-21-43(35,36)34(24-41)37(47)32-13-9-8-12-31(32)29-10-6-5-7-11-29/h5-13,20-22,24,30,35-36,46,48H,14-19,23,26H2,1-4H3/t30?,35-,36-,39-,40+,41+,42-,43-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(S2)NC3=CC=CC=C3
InChI: InChI=1S/C19H26N4OS2/c1-12-8-7-11-16(13(12)2)21-17(24)14(3)25-19-23-22-18(26-19)20-15-9-5-4-6-10-15/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,20,22)(H,21,24)/t12-,13-,14-,16+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)C(=O)NC(C)C)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC(=C(C=C7)F)F)C
InChI: InChI=1S/C44H58F2N2O4/c1-27(2)47-41(51)48(25-43-22-30-16-31(23-43)18-32(17-30)24-43)26-44(52)15-13-37-35-11-8-29(19-34(49)10-7-28(3)6-5-14-42(37,44)4)20-36(35)40(50)33-9-12-38(45)39(46)21-33/h6,8-9,11-12,20-21,27,30-32,34,37,49,52H,5,7,10,13-19,22-26H2,1-4H3,(H,47,51)/t30?,31?,32?,34-,37-,42-,43?,44+/m0/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)F)F)CCC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C30H33F2NO5/c1-18-23-8-10-26(37-17-20-6-7-22(31)15-25(20)32)19(2)28(23)38-29(35)24(18)9-11-27(34)33-14-13-30(36)12-4-3-5-21(30)16-33/h6-8,10,15,21,36H,3-5,9,11-14,16-17H2,1-2H3/t21-,30+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)NCC3=CC=CO3
InChI: InChI=1S/C18H21N3O7/c22-14(20-18(26)19-8-11-4-3-7-27-11)10-28-15(23)9-21-16(24)12-5-1-2-6-13(12)17(21)25/h3-4,7,12-13H,1-2,5-6,8-10H2,(H2,19,20,22,26)/t12-,13-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC(=CC=C4)I)OC5(O3)CC6=CC=CC=C6C5
InChI: InChI=1S/C40H43IN2O9/c1-39(2,3)51-34(45)15-14-31(23-44)43-37(47)25-11-6-8-24(16-25)22-42-36(46)29-18-32(49-38(48)26-12-7-13-30(41)17-26)35-33(19-29)50-40(52-35)20-27-9-4-5-10-28(27)21-40/h4-13,16-17,19,31-33,35,44H,14-15,18,20-23H2,1-3H3,(H,42,46)(H,43,47)/t31-,32+,33+,35-/m0/s1
SMILES: C[C@H]1C[C@@]2(O[C@@H]([C@H]([C@H]1O[Si](C)(C)C(C)(C)C)O2)COCC3=CC=CC=C3)C[C@@H]4CCC[C@@]5(O4)CC[C@]6(O5)[C@@](CC[C@@H](O6)CCOCC7=CC=C(C=C7)OC)(C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C51H82O10Si2/c1-37-32-50(57-43(36-54-35-38-18-15-14-16-19-38)45(58-50)44(37)59-62(10,11)46(2,3)4)33-42-20-17-27-49(55-42)29-30-51(60-49)48(8,61-63(12,13)47(5,6)7)28-25-41(56-51)26-31-53-34-39-21-23-40(52-9)24-22-39/h14-16,18-19,21-24,37,41-45H,17,20,25-36H2,1-13H3/t37-,41+,42-,43+,44-,45+,48-,49-,50-,51-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OC(=O)C4=CC=CC=C4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-8,19-23,27H,9-16H2,1-2H3/t19-,20?,21?,22?,23-,25-,26-/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C19H32O2/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(21)19(14,2)11-15(20)17(13)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2C=CC5=CC=CC=C45)C(=O)NC3=O
InChI: InChI=1S/C23H20N2O5/c1-29-13-7-8-16(30-2)15(11-13)21(26)20-18-17(22(27)24-23(18)28)19-14-6-4-3-5-12(14)9-10-25(19)20/h3-11,17-20H,1-2H3,(H,24,27,28)/t17-,18+,19+,20-/m0/s1
SMILES: COCCOCOC1=CC2=C(C=C1)N3[C@@H]([C@H]2NC(=O)CCC=CCCC3=O)COC(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H32N2O7/c1-34-15-16-35-19-37-21-13-14-23-22(17-21)27-24(18-36-28(33)20-9-5-4-6-10-20)30(23)26(32)12-8-3-2-7-11-25(31)29-27/h2-6,9-10,13-14,17,24,27H,7-8,11-12,15-16,18-19H2,1H3,(H,29,31)/t24-,27+/m1/s1