EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)O
InChI: InChI=1S/C20H28N4O15P2/c1-9-5-23(19(28)21-17(9)26)15-3-11(13(7-25)36-15)39-41(33,34)35-8-14-12(38-40(30,31)32)4-16(37-14)24-6-10(2)18(27)22-20(24)29/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t11-,12-,13+,14+,15+,16+/m0/s1
SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20+,21+,22+,23-,24-,26-,27-/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=C(C=C4)OC)O)C)C)O)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C40H50N2O5/c1-5-24-42(38(45)41-31-11-7-6-8-12-31)27-40(46)23-21-36-34-20-14-29(25-32(43)17-13-28(2)10-9-22-39(36,40)3)26-35(34)37(44)30-15-18-33(47-4)19-16-30/h6-8,10-12,14-16,18-20,26,32,36,43,46H,5,9,13,17,21-25,27H2,1-4H3,(H,41,45)/t32-,36-,39-,40+/m0/s1
SMILES: CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)CC(=O)O)C)C(=O)O
InChI: InChI=1S/C37H60O6/c1-22(2)23-12-17-37(31(41)42)19-18-35(8)24(30(23)37)10-11-26-34(7)15-14-27(33(5,6)25(34)13-16-36(26,35)9)43-29(40)21-32(3,4)20-28(38)39/h22-27,30H,10-21H2,1-9H3,(H,38,39)(H,41,42)/t23-,24+,25-,26+,27-,30+,34-,35+,36+,37-/m0/s1
SMILES: CC(CCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4[C@@]3(CC[C@@H](C4)NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)O)O)C
InChI: InChI=1S/C38H62N4O13/c1-22(4-7-31(46)47)25-5-6-26-36-27(16-29(44)38(25,26)3)37(2)9-8-24(14-23(37)15-28(36)43)39-30(45)17-40(10-12-41(18-32(48)49)19-33(50)51)11-13-42(20-34(52)53)21-35(54)55/h22-29,36,43-44H,4-21H2,1-3H3,(H,39,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)/t22?,23?,24-,25+,26?,27?,28+,29-,36?,37-,38+/m0/s1
SMILES: CCCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C([C@@H](O5)CC)OC)OC)OC)C)OC6CC[C@H]([C@H](O6)C)N(C)C
InChI: InChI=1S/C43H69NO10/c1-10-13-27-14-12-15-36(53-38-19-18-34(44(5)6)25(4)50-38)24(3)39(46)33-22-31-29(32(33)23-37(45)51-27)17-16-26-20-28(21-30(26)31)52-43-42(49-9)41(48-8)40(47-7)35(11-2)54-43/h16-17,22,24-32,34-36,38,40-43H,10-15,18-21,23H2,1-9H3/t24?,25-,26?,27?,28?,29?,30?,31?,32?,34-,35+,36?,38?,40?,41?,42?,43?/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33+,34+,35-,41?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)O[C@@H]1CC2=C(C[C@H]1OC(=O)C)CC(C2)CN3CCCCC3
InChI: InChI=1S/C19H29NO4.C7H8O3S/c1-13(21)23-18-10-16-8-15(12-20-6-4-3-5-7-20)9-17(16)11-19(18)24-14(2)22;1-6-2-4-7(5-3-6)11(8,9)10/h15,18-19H,3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/t18-,19-;/m1./s1
SMILES: CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[C@@]4(CCCC[C@H]4C3)O
InChI: InChI=1S/C24H31NO5/c1-2-3-6-17-13-23(27)30-21-14-19(8-9-20(17)21)29-16-22(26)25-12-11-24(28)10-5-4-7-18(24)15-25/h8-9,13-14,18,28H,2-7,10-12,15-16H2,1H3/t18-,24+/m0/s1
SMILES: CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@H]1C(=O)N(C3)C4=CC=CC=C4C)O2
InChI: InChI=1S/C21H25NO4/c1-3-4-7-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)15-9-6-5-8-14(15)2/h5-6,8-11,16-18H,3-4,7,12-13H2,1-2H3/t16-,17-,18-,21-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)CC23O[C@H]4[C@H]([C@@H]([C@@H]5[C@@H]([C@H]4O3)OC(O5)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COCC=C)OCC=C)OCC7=CC=CC=C7)N=[N+]=[N-])O
InChI: InChI=1S/C38H53N3O10/c1-8-17-43-21-24-27(44-18-9-2)28(45-20-22-13-11-10-12-14-22)25(40-41-39)34(46-24)47-29-26(42)30-32(33-31(29)48-36(5,6)49-33)51-38(50-30)19-23-15-16-37(38,7)35(23,3)4/h8-14,23-34,42H,1-2,15-21H2,3-7H3/t23-,24-,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,37-,38?/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=S)SCC#C)C)C
InChI: InChI=1S/C29H44O3S2/c1-6-17-34-27(33)32-21-13-15-28(3)20(18-21)8-9-22-24-11-10-23(19(2)7-12-26(30)31-5)29(24,4)16-14-25(22)28/h1,19-25H,7-18H2,2-5H3/t19-,20-,21-,22+,23-,24+,25+,28+,29-/m1/s1
SMILES: CCC[C@@]1([C@H](CCN([C@H]1C)C(=O)[C@@H]2CN(C[C@H]2C3=C(C=C(C=C3)F)F)C(C)(C)C)C)O
InChI: InChI=1S/C25H38F2N2O2/c1-7-11-25(31)16(2)10-12-29(17(25)3)23(30)21-15-28(24(4,5)6)14-20(21)19-9-8-18(26)13-22(19)27/h8-9,13,16-17,20-21,31H,7,10-12,14-15H2,1-6H3/t16-,17-,20-,21+,25-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@H](COC(=O)[C@H]3CCC=C=C)C(=C)CC[C@@H]1O2
InChI: InChI=1S/C19H26O3/c1-4-5-6-7-15-14-10-11-19(3)17(22-19)9-8-13(2)16(14)12-21-18(15)20/h5,14-17H,1-2,6-12H2,3H3/t14-,15+,16+,17+,19+/m1/s1
SMILES: C1C[C@@H]2C=C[C@H]1[C@@H]([C@H]2C(=O)O)C(=O)NCCC3=CC=CC=C3
InChI: InChI=1S/C18H21NO3/c20-17(19-11-10-12-4-2-1-3-5-12)15-13-6-8-14(9-7-13)16(15)18(21)22/h1-6,8,13-16H,7,9-11H2,(H,19,20)(H,21,22)/t13-,14+,15+,16+/m1/s1
SMILES: C1CCC(CC1)(C#C[C@@H]2[C@H](C[C@@H]3[C@H]2C/C(=C/CCCC(=O)O)/C3)O)O
InChI: InChI=1S/C21H30O4/c22-19-14-16-12-15(6-2-3-7-20(23)24)13-18(16)17(19)8-11-21(25)9-4-1-5-10-21/h6,16-19,22,25H,1-5,7,9-10,12-14H2,(H,23,24)/b15-6+/t16-,17+,18-,19+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@@H]1[C@@H](C=C)OC)(C)C)[C@H](C)COC(=O)C(C)(C)C
InChI: InChI=1S/C19H34O5/c1-10-14(21-9)16-13(3)15(23-19(7,8)24-16)12(2)11-22-17(20)18(4,5)6/h10,12-16H,1,11H2,2-9H3/t12-,13+,14-,15-,16+/m1/s1
SMILES: CN(C)C(=O)CN1C(=O)[C@H]2CC/C(=N\NC(=O)N)/C[C@@H]2C1=O
InChI: InChI=1S/C13H19N5O4/c1-17(2)10(19)6-18-11(20)8-4-3-7(15-16-13(14)22)5-9(8)12(18)21/h8-9H,3-6H2,1-2H3,(H3,14,16,22)/b15-7+/t8-,9-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)CC3C[C@H](C[C@H](O3)C)N(C)C)(C)OCC#CC4=CC=C(S4)C5=CC(=CC=C5)F)C)C)NC(=O)O2)C
InChI: InChI=1S/C44H59FN2O8S/c1-11-37-44(8)40(46-42(51)55-44)28(5)38(48)25(2)24-43(7,52-19-13-16-34-17-18-36(56-34)30-14-12-15-31(45)21-30)35(27(4)39(49)29(6)41(50)54-37)23-33-22-32(47(9)10)20-26(3)53-33/h12,14-15,17-18,21,25-29,32-33,35,37,40H,11,19-20,22-24H2,1-10H3,(H,46,51)/t25-,26-,27-,28+,29-,32+,33?,35-,37-,40?,43+,44-/m1/s1
SMILES: C=C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCN)CO)O)O
InChI: InChI=1S/C14H20N6O4/c1-2-14(23)10(22)8(5-21)24-13(14)20-7-19-9-11(16-4-3-15)17-6-18-12(9)20/h2,6-8,10,13,21-23H,1,3-5,15H2,(H,16,17,18)/t8-,10-,13-,14-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CN(C3=CC=C(C=C3)C)C(=O)C
InChI: InChI=1S/C19H24N2O3/c1-12-4-7-15(8-5-12)20(14(3)22)11-21-18(23)16-9-6-13(2)10-17(16)19(21)24/h4-5,7-8,13,16-17H,6,9-11H2,1-3H3/t13-,16+,17+/m1/s1
SMILES: CC(C)C(=O)N1[C@@H]([C@@H]2C(=O)C[C@@H](C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC=CO5
InChI: InChI=1S/C27H26N2O3/c1-17(2)27(31)29-22-12-7-6-11-20(22)28-21-15-19(18-9-4-3-5-10-18)16-23(30)25(21)26(29)24-13-8-14-32-24/h3-15,17,19,25-26,28H,16H2,1-2H3/t19-,25+,26-/m1/s1
SMILES: C1CCN(CC1)CCN2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C25H26N2O2/c28-24-22-20-16-8-2-3-9-17(16)21(19-11-5-4-10-18(19)20)23(22)25(29)27(24)15-14-26-12-6-1-7-13-26/h2-5,8-11,20-23H,1,6-7,12-15H2/t20?,21?,22-,23+
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)OCCO)C(=O)N(C5=O)CCCCCC(=O)O
InChI: InChI=1S/C41H43N3O8/c1-25-11-15-28(16-12-25)42-44-38(49)33-24-32-30(19-20-31-35(32)39(50)43(37(31)48)21-7-3-6-10-34(46)47)36(26-13-17-29(18-14-26)52-23-22-45)41(33,40(44)51)27-8-4-2-5-9-27/h2,4-5,8-9,11-19,31-33,35-36,42,45H,3,6-7,10,20-24H2,1H3,(H,46,47)/t31-,32+,33-,35-,36-,41+/m0/s1
SMILES: CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C14H19NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-4,8-11H,5-7H2,1-2H3,(H,18,19)/p-1/t9-,10+,11-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]2[C@H]([C@H]1OC(=O)[C@@H]3CCCC[C@@H]3NC(=O)C4=CC=CC=C4)OC5(O2)CCCCC5)O
InChI: InChI=1S/C27H36N2O7/c1-16(30)28-20-21(31)23-24(36-27(35-23)14-8-3-9-15-27)22(20)34-26(33)18-12-6-7-13-19(18)29-25(32)17-10-4-2-5-11-17/h2,4-5,10-11,18-24,31H,3,6-9,12-15H2,1H3,(H,28,30)(H,29,32)/t18-,19+,20+,21-,22+,23-,24+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)[NH3+])O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]4[C@H]3OP(=O)(O4)[O-])O)O)O)CO)O)O)O)O
InChI: InChI=1S/C18H32NO17P/c19-5-7(23)13(33-18-12(28)8(24)6(22)3(1-20)31-18)4(2-21)32-17(5)34-14-10(26)9(25)11(27)15-16(14)36-37(29,30)35-15/h3-18,20-28H,1-2,19H2,(H,29,30)/t3-,4-,5-,6-,7-,8+,9+,10+,11-,12+,13-,14-,15-,16+,17-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@H](C1(C)C)[C@H](C2=O)S(=O)(=O)O
InChI: InChI=1S/C10H16O4S/c1-5-6-4-7(10(5,2)3)9(8(6)11)15(12,13)14/h5-7,9H,4H2,1-3H3,(H,12,13,14)/t5-,6+,7+,9-/m1/s1
SMILES: CCN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OCC5=CC=CC=C5)O
InChI: InChI=1S/C24H27NO3/c1-2-25-13-12-24-11-10-19(26)14-21(24)28-23-20(9-8-18(15-25)22(23)24)27-16-17-6-4-3-5-7-17/h3-11,19,21,26H,2,12-16H2,1H3/t19-,21-,24-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC5=C(C=C34)C(=O)C(=CO5)/C=N/NC(=S)NC6CCCCC6)C
InChI: InChI=1S/C31H39N3O4S/c1-18(35)38-28-11-10-26-23-9-8-19-14-27-25(15-24(19)22(23)12-13-31(26,28)2)29(36)20(17-37-27)16-32-34-30(39)33-21-6-4-3-5-7-21/h14-17,21-23,26,28H,3-13H2,1-2H3,(H2,33,34,39)/b32-16+/t22-,23+,26-,28-,31-/m0/s1
SMILES: C[C@]1(CC(=O)[C@@H]([C@@H]([C@@H]1C(=O)OC)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC)O
InChI: InChI=1S/C17H18Cl2O6/c1-17(23)7-11(20)13(15(21)24-2)12(14(17)16(22)25-3)8-4-5-9(18)10(19)6-8/h4-6,12-14,23H,7H2,1-3H3/t12-,13-,14+,17+/m0/s1
SMILES: C[C@]12CC[C@H](C1)C([C@H]2OC[C@@H](CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O)(C)C
InChI: InChI=1S/C25H38N2O4/c1-24(2)19-6-7-25(3,13-19)23(24)29-16-20(28)15-27-10-8-26(9-11-27)14-18-4-5-21-22(12-18)31-17-30-21/h4-5,12,19-20,23,28H,6-11,13-17H2,1-3H3/t19-,20-,23-,25+/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)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/h3,5-6,11-12,17,20H,4,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC
InChI: InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23?,24?,25?,26-,27?,30-,31+,32+,33-/m0/s1
SMILES: CC1(COC(OC1)[C@@H]([C@H](/C=C/C[C@@H]2[C@H](O2)COS(=O)(=O)C3=CC=CC=C3)O)O)C
InChI: InChI=1S/C20H28O8S/c1-20(2)12-25-19(26-13-20)18(22)15(21)9-6-10-16-17(28-16)11-27-29(23,24)14-7-4-3-5-8-14/h3-9,15-19,21-22H,10-13H2,1-2H3/b9-6+/t15-,16+,17+,18+/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O[C@@H]4C[C@@H](CC[C@@H]4C(C)C)C
InChI: InChI=1S/C27H31NO5/c1-5-32-20-10-8-19(9-11-20)28-25(29)22-13-7-18(15-23(22)26(28)30)27(31)33-24-14-17(4)6-12-21(24)16(2)3/h7-11,13,15-17,21,24H,5-6,12,14H2,1-4H3/t17-,21-,24-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1C[C@@H](C(=C)[C@@H]2C/C=C/3\CCOC3=O)O)(C)C
InChI: InChI=1S/C20H30O3/c1-13-15(7-6-14-8-11-23-18(14)22)20(4)10-5-9-19(2,3)17(20)12-16(13)21/h6,15-17,21H,1,5,7-12H2,2-4H3/b14-6+/t15-,16-,17-,20+/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)C4=CC=CC(=C4)CNC(=O)C(Cl)(Cl)Cl)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C41H41Cl3N2O4/c1-26-37(24-46(3)27(2)34-20-17-30-8-4-5-9-36(30)22-34)49-39(50-38(26)32-13-11-28(25-47)12-14-32)33-18-15-31(16-19-33)35-10-6-7-29(21-35)23-45-40(48)41(42,43)44/h4-22,26-27,37-39,47H,23-25H2,1-3H3,(H,45,48)/t26-,27+,37+,38+,39+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)[C@@]3(CC[C@@H]([C@@]3(O2)C)I)C
InChI: InChI=1S/C14H23IO/c1-9-4-5-11-10(8-9)13(2)7-6-12(15)14(13,3)16-11/h9-12H,4-8H2,1-3H3/t9-,10-,11+,12+,13+,14+/m1/s1
SMILES: CC(=O)OC[C@]12[C@@H]3[C@@H]4[C@H](CC1(O4)CS[C@H]2O[C@@H]3OC(=O)C)C5=CC=C(C=C5)O
InChI: InChI=1S/C20H22O7S/c1-10(21)24-8-20-15-16-14(12-3-5-13(23)6-4-12)7-19(20,27-16)9-28-18(20)26-17(15)25-11(2)22/h3-6,14-18,23H,7-9H2,1-2H3/t14-,15-,16+,17+,18-,19?,20-/m1/s1
SMILES: CC1(O[C@H]2[C@H](C[C@]([C@@H]([C@H]2O1)OC)(C(=O)OC)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H36O7Si/c1-17(2,3)27(9,10)26-12-11-19(23-8,16(20)22-7)15(21-6)14-13(12)24-18(4,5)25-14/h12-15H,11H2,1-10H3/t12-,13-,14-,15+,19-/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C45H56N2O9/c1-3-24-54-45-41(47(2)44(51)53-26-25-52-30-32-14-6-4-7-15-32)29-39(46-55-31-33-16-8-5-9-17-33)37-27-34(18-10-12-22-48)36(19-11-13-23-49)42(43(37)45)38-28-35(50)20-21-40(38)56-45/h3-9,14-17,20-21,27-28,34,36,41-43,48-50H,1,10-13,18-19,22-26,29-31H2,2H3/t34-,36+,41-,42+,43+,45+/m0/s1
SMILES: CCN[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCCNCCN(CC)CC)C)O)C
InChI: InChI=1S/C32H61N3O/c1-7-34-25-16-17-31(5)24(21-25)12-13-26-28-15-14-27(32(28,6)30(36)22-29(26)31)23(4)11-10-18-33-19-20-35(8-2)9-3/h23-30,33-34,36H,7-22H2,1-6H3/t23-,24-,25+,26+,27-,28+,29+,30+,31+,32-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN(N=C2)C3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)NC6CCCC6
InChI: InChI=1S/C27H30N8O9S/c1-43-26(40)14-6-8-17(9-7-14)45(41,42)33-24(39)15-10-29-35(11-15)27-31-22(30-16-4-2-3-5-16)19-23(32-27)34(13-28-19)25-21(38)20(37)18(12-36)44-25/h6-11,13,16,18,20-21,25,36-38H,2-5,12H2,1H3,(H,33,39)(H,30,31,32)/t18-,20-,21-,25-/m1/s1
SMILES: C1C[C@]2(O[C@@H]([C@@H]([C@@H]1O)O2)CCCC/C=C/C(=O)O)CCCCCCCCCCCCCCCOCC(CO)N
InChI: InChI=1S/C31H57NO7/c32-26(24-33)25-37-23-17-13-9-7-5-3-1-2-4-6-8-12-16-21-31-22-20-27(34)30(39-31)28(38-31)18-14-10-11-15-19-29(35)36/h15,19,26-28,30,33-34H,1-14,16-18,20-25,32H2,(H,35,36)/b19-15+/t26?,27-,28-,30-,31+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H](O[C@H]2C[C@@H]3[C@H](C[C@@H]([C@H]([C@@H](O3)CCOCC4=CC=CC=C4)O)C)O[C@@]2(C1)C)CCOCC5=CC=CC=C5)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C51H68O7Si/c1-37-31-47(58-59(50(3,4)5,41-23-15-9-16-24-41)42-25-17-10-18-26-42)43(27-29-53-35-39-19-11-7-12-20-39)56-48-33-45-46(57-51(48,6)34-37)32-38(2)49(52)44(55-45)28-30-54-36-40-21-13-8-14-22-40/h7-26,37-38,43-49,52H,27-36H2,1-6H3/t37-,38+,43-,44+,45-,46+,47+,48+,49-,51-/m1/s1
SMILES: CNC(=O)C1=CC=C(C=C1)C[NH+](C)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H23N3O3/c1-20-17(23)14-9-7-13(8-10-14)11-21(2)12-22-18(24)15-5-3-4-6-16(15)19(22)25/h3-4,7-10,15-16H,5-6,11-12H2,1-2H3,(H,20,23)/p+1/t15-,16+
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](CO[C@@H]1/C=C/[C@@H](CCC2=CC=CC=C2)O)O
InChI: InChI=1S/C25H36O5/c1-19(2)30-25(28)13-9-4-3-8-12-22-23(27)18-29-24(22)17-16-21(26)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-24,26-27H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-/m1/s1
SMILES: CC(=O)[C@@]12[C@@H](O1)[C@@](NC2=O)(CC3=CC=CC=C3)O
InChI: InChI=1S/C13H13NO4/c1-8(15)13-10(18-13)12(17,14-11(13)16)7-9-5-3-2-4-6-9/h2-6,10,17H,7H2,1H3,(H,14,16)/t10-,12+,13-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C32H24N2O3/c1-18-8-2-7-13-25(18)33-30(35)19-14-16-20(17-15-19)34-31(36)28-26-21-9-3-4-10-22(21)27(29(28)32(34)37)24-12-6-5-11-23(24)26/h2-17,26-29H,1H3,(H,33,35)/t26?,27?,28-,29+
SMILES: COC1=C(C=C(C=C1)C2=NO[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@H]5[C@@H]4C(=O)N(C5=O)CC(=O)[O-])OC
InChI: InChI=1S/C20H20N2O7/c1-27-11-4-3-8(5-12(11)28-2)17-16-9-6-10(18(16)29-21-17)15-14(9)19(25)22(20(15)26)7-13(23)24/h3-5,9-10,14-16,18H,6-7H2,1-2H3,(H,23,24)/p-1/t9-,10+,14+,15-,16+,18+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O[P@](=O)(O1)OCC5=CC(=O)OC6=CC=CC=C65
InChI: InChI=1S/C20H18N5O8P/c21-18-15-19(23-8-22-18)25(9-24-15)20-16(27)17-13(32-20)7-30-34(28,33-17)29-6-10-5-14(26)31-12-4-2-1-3-11(10)12/h1-5,8-9,13,16-17,20,27H,6-7H2,(H2,21,22,23)/t13-,16-,17-,20-,34+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34O
InChI: InChI=1S/C18H22O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-15,21H,2-5,7-8H2,1H3/t13-,14+,15-,17+,18-/m1/s1
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)O)C=C3)C
InChI: InChI=1S/C16H18N2O5S/c1-3-23-15(22)12-7(2)17-16(24-12)18-13(19)10-8-4-5-9(6-8)11(10)14(20)21/h4-5,8-11H,3,6H2,1-2H3,(H,20,21)(H,17,18,19)/t8-,9+,10+,11+/m0/s1
SMILES: CC1([C@H]([C@@H]1C(=O)NC2=C(C(=CC=C2)Cl)Cl)C=C(Cl)Cl)C
InChI: InChI=1S/C14H13Cl4NO/c1-14(2)7(6-10(16)17)11(14)13(20)19-9-5-3-4-8(15)12(9)18/h3-7,11H,1-2H3,(H,19,20)/t7-,11+/m0/s1
SMILES: CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC(=O)[C@@H]2C[C@@H]2C
InChI: InChI=1S/C14H20N2O5/c1-4-20-13(18)11-8(3)15-14(19)16-10(11)6-21-12(17)9-5-7(9)2/h7-9H,4-6H2,1-3H3,(H2,15,16,19)/t7-,8+,9+/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)CCCC(=O)O)C5=CC(=C(C=C5)O)OC
InChI: InChI=1S/C28H27NO8/c1-13-10-20(31)18-12-17-15(23(25(18)26(13)34)14-5-8-19(30)21(11-14)37-2)6-7-16-24(17)28(36)29(27(16)35)9-3-4-22(32)33/h5-6,8,10-11,16-17,23-24,30H,3-4,7,9,12H2,1-2H3,(H,32,33)/t16-,17+,23-,24-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)O)O
InChI: InChI=1S/C24H20N2O5/c27-18-12-11-16(13-19(18)28)21-20-22(31-26(21)17-9-5-2-6-10-17)24(30)25(23(20)29)14-15-7-3-1-4-8-15/h1-13,20-22,27-28H,14H2/t20-,21+,22+/m1/s1
SMILES: CCCN1C[C@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)CCC)NC(=S)N(CC)CC
InChI: InChI=1S/C25H38N4S/c1-5-12-28-16-18-14-23-21(20-10-9-11-22(28)24(18)20)15-19(17-29(23)13-6-2)26-25(30)27(7-3)8-4/h9-11,16,19,21,23H,5-8,12-15,17H2,1-4H3,(H,26,30)/t19-,21+,23+/m0/s1
SMILES: CC1([C@@]2([C@H]3CCC[C@H]3[C@]1(N=N2)C4=CC=CC=C4)C=C)C
InChI: InChI=1S/C18H22N2/c1-4-17-14-11-8-12-15(14)18(20-19-17,16(17,2)3)13-9-6-5-7-10-13/h4-7,9-10,14-15H,1,8,11-12H2,2-3H3/t14-,15+,17-,18+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)NC9=CC=CC=C9
InChI: InChI=1S/C44H34ClFN4O5/c45-26-12-10-25(11-13-26)44-36(41(53)50(43(44)55)48-30-16-14-27(46)15-17-30)24-35-32(39(44)33-8-4-5-9-37(33)51)22-23-34-38(35)42(54)49(40(34)52)31-20-18-29(19-21-31)47-28-6-2-1-3-7-28/h1-22,34-36,38-39,47-48,51H,23-24H2/t34-,35+,36-,38-,39+,44+/m0/s1
SMILES: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H](C(=O)[C@H]([C@@]34CO4)O2)O)C)COC(=O)C
InChI: InChI=1S/C17H20O8/c1-7-4-9-16(5-23-8(2)18,13(22)10(7)19)15(3)12(21)11(20)14(25-9)17(15)6-24-17/h4,9,12-14,21-22H,5-6H2,1-3H3/t9-,12-,13-,14-,15-,16-,17+/m1/s1
SMILES: CC(C)(CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N3C(=NN=N3)OC4=CC=C(C=C4)N5C=CN=C5)CC(=O)[O-]
InChI: InChI=1S/C23H27N7O6/c1-23(2,10-19(32)33)9-18(31)25-16-11-34-21-17(12-35-20(16)21)30-22(26-27-28-30)36-15-5-3-14(4-6-15)29-8-7-24-13-29/h3-8,13,16-17,20-21H,9-12H2,1-2H3,(H,25,31)(H,32,33)/p-1/t16-,17-,20+,21+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCC.CC[NH+](CC)CC
InChI: InChI=1S/C43H81O18P.C6H15N/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(45)56-28-30(58-33(46)26-24-22-20-18-16-14-12-10-8-6-4-2)29-57-62(54,55)61-42-39(52)37(50)36(49)38(51)41(42)60-43-40(53)35(48)34(47)31(27-44)59-43;1-4-7(5-2)6-3/h30-31,34-44,47-53H,3-29H2,1-2H3,(H,54,55);4-6H2,1-3H3/t30-,31-,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-;/m1./s1
SMILES: CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CCC5=CC(=O)CC[C@]45C)C)CCC(C)C[Se]C#N
InChI: InChI=1S/C28H39NO2Se/c1-17(15-32-16-29)5-8-24-18(2)26-25(31-24)14-23-21-7-6-19-13-20(30)9-11-27(19,3)22(21)10-12-28(23,26)4/h13,17,21-23,25-26H,5-12,14-15H2,1-4H3/t17?,21-,22+,23+,25+,26+,27+,28+/m1/s1
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC(=CC=C4)Cl)C)C
InChI: InChI=1S/C20H22ClN3O2/c1-20-9-10-23(2)18(20)24(3)17-8-7-15(12-16(17)20)26-19(25)22-14-6-4-5-13(21)11-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,22,25)/t18-,20+/m1/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(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC[C@@H](C8=CC=CC=C8)O
InChI: InChI=1S/C54H54N4O11/c1-33(2)44(50(63)67-3)56-53(66)57-41-26-25-34(16-13-14-27-59)30-40(41)54(52(57)65)43(49(62)55-32-42(61)35-17-7-4-8-18-35)46-51(64)69-47(37-21-11-6-12-22-37)45(36-19-9-5-10-20-36)58(46)48(54)38-23-15-24-39(31-38)68-29-28-60/h4-12,15,17-26,30-31,33,42-48,59-61H,14,27-29,32H2,1-3H3,(H,55,62)(H,56,66)/t42-,43-,44-,45-,46-,47+,48+,54-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)O[C@H]2[C@H]([C@@H]([C@@H]3[C@H](O2)COC(O3)(C)C)O)NC(=O)C
InChI: InChI=1S/C19H27NO6/c1-10-6-7-11(2)13(8-10)24-18-15(20-12(3)21)16(22)17-14(25-18)9-23-19(4,5)26-17/h6-8,14-18,22H,9H2,1-5H3,(H,20,21)/t14-,15+,16+,17+,18-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C17H16Cl2N2O3/c18-12-6-3-7-13(15(12)19)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,22)/t10-,11-/m0/s1
SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC[C@H](C(C)(C)O)O
InChI: InChI=1S/C32H54O5/c1-21-24(19-25(33)20-28(21)34)12-11-22-10-8-18-32(6)26(22)14-15-27(32)23(9-7-17-30(2,3)36)13-16-29(35)31(4,5)37/h11-12,23,25-29,33-37H,1,7-10,13-20H2,2-6H3/b22-11+,24-12-/t23-,25+,26-,27+,28-,29+,32-/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)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C46H55N5O6/c1-31-42(29-50-24-21-39(22-25-50)51-41-15-6-5-14-40(41)49-46(51)55)56-45(57-44(31)35-19-17-33(30-52)18-20-35)38-13-9-12-37(27-38)36-11-8-10-34(26-36)28-48-43(54)16-4-3-7-23-47-32(2)53/h5-6,8-15,17-20,26-27,31,39,42,44-45,52H,3-4,7,16,21-25,28-30H2,1-2H3,(H,47,53)(H,48,54)(H,49,55)/t31-,42+,44+,45+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@](CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H18FNO3/c1-9(20)16-15(11-4-6-12(18)7-5-11)14-10(2)22-19-13(14)8-17(16,3)21/h4-7,15-16,21H,8H2,1-3H3/t15-,16+,17-/m1/s1
SMILES: C[C@H]1[C@H](C[C@@H]([C@H](O1)O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H22O5/c1-14-17(25-19(21)16-10-6-3-7-11-16)12-18(20(22)24-14)23-13-15-8-4-2-5-9-15/h2-11,14,17-18,20,22H,12-13H2,1H3/t14-,17-,18-,20-/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)N[C@@H]([C@@H]4[C@H]3OCCCO4)C5=CC=CC=C5)C
InChI: InChI=1S/C21H23N3O2/c1-13-14(2)24-10-9-16-18(21(24)22-13)23-17(15-7-4-3-5-8-15)20-19(16)25-11-6-12-26-20/h3-5,7-10,17,19-20,23H,6,11-12H2,1-2H3/t17-,19+,20-/m1/s1
SMILES: CC[C@@]1([C@H]([C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)Br)N2C=CC(=O)NC2=O
InChI: InChI=1S/C23H43BrN2O5Si2/c1-12-23(26-14-13-17(27)25-20(26)28)19(24)18(31-33(10,11)22(5,6)7)16(30-23)15-29-32(8,9)21(2,3)4/h13-14,16,18-19H,12,15H2,1-11H3,(H,25,27,28)/t16-,18-,19+,23-/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)C4(C=CC3[C@@H]5[C@@H]4C(=O)N(C5=O)C6=CC=CC=C6C)C7=CC=CC=C7
InChI: InChI=1S/C32H26N2O4/c1-18-10-6-8-14-22(18)33-28(35)24-21-16-17-32(26(24)30(33)37,20-12-4-3-5-13-20)27-25(21)29(36)34(31(27)38)23-15-9-7-11-19(23)2/h3-17,21,24-27H,1-2H3/t21?,24-,25-,26-,27-,32?/m1/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)O)C
InChI: InChI=1S/C17H21NO4/c1-10-8-14(15(17(20)21)9-11(10)2)16(19)18-12-4-6-13(22-3)7-5-12/h4-7,14-15H,8-9H2,1-3H3,(H,18,19)(H,20,21)/t14-,15+/m0/s1
SMILES: C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI: InChI=1S/C11H13FN4O3/c12-7-8(18)6(3-17)19-11(7)16-2-1-5-9(13)14-4-15-10(5)16/h1-2,4,6-8,11,17-18H,3H2,(H2,13,14,15)/t6-,7+,8-,11-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H24ClN3OS/c1-12-5-4-6-18(13(12)2)23-20(26)19-11-17-14(3)24-25(21(17)27-19)16-9-7-15(22)8-10-16/h7-13,18H,4-6H2,1-3H3,(H,23,26)/t12-,13+,18+/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CC=CC=C4Cl)C(=O)O
InChI: InChI=1S/C15H12ClNO4/c16-8-3-1-2-4-9(8)17-7-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h1-6,10-12H,7H2,(H,19,20)/t10-,11+,12-,15-/m1/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](NC(=S)NC2=C1)C3=CC=CC=C3OC)C
InChI: InChI=1S/C17H20N2O2S/c1-17(2)8-11-14(12(20)9-17)15(19-16(22)18-11)10-6-4-5-7-13(10)21-3/h4-8,14-15H,9H2,1-3H3,(H2,18,19,22)/t14-,15-/m1/s1
SMILES: C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C(=O)O)O)C(=O)O
InChI: InChI=1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12+,13-,14-,18-,19+,20-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([NH2+]1)[C@@H](CO)O)O)O.[Cl-]
InChI: InChI=1S/C6H13NO4.ClH/c8-2-4(10)5-6(11)3(9)1-7-5;/h3-11H,1-2H2;1H/t3-,4+,5+,6+;/m0./s1