EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(C)C(=O)CC6=CC(=CC=C6)OC
InChI: InChI=1S/C46H58N2O8S/c1-6-25-53-46-42(48(3)43(51)27-31-13-12-15-34(26-31)52-4)30-40(47-54-7-2)38-28-32(14-8-10-23-49)37(16-9-11-24-50)44(45(38)46)39-29-35(19-22-41(39)56-46)55-33-17-20-36(57-5)21-18-33/h6,12-13,15,17-22,26,28-29,32,37,42,44-45,49-50H,1,7-11,14,16,23-25,27,30H2,2-5H3/t32-,37+,42-,44+,45+,46+/m0/s1
SMILES: C[C@]12CCC3(C[C@@]1([C@@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC56OCCO6)C)C=C)O)OCCO3
InChI: InChI=1S/C25H38O5/c1-4-17-15-18-19(5-7-22(3)20(18)6-8-25(22)29-13-14-30-25)21(2)9-10-23(16-24(17,21)26)27-11-12-28-23/h4,17-20,26H,1,5-16H2,2-3H3/t17-,18-,19+,20+,21-,22+,24+/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H20N2O6/c1-16(2,3)24-15(21)17-8-12(13(9-17)14(19)20)10-4-6-11(7-5-10)18(22)23/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/p-1/t12-,13+/m0/s1
SMILES: CN1C2=C(C(=O)N=C1N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C32H33N5O5/c1-36-30-26(29(38)35-32(36)33)34-21-37(30)31-28(41-19-24-15-9-4-10-16-24)27(40-18-23-13-7-3-8-14-23)25(42-31)20-39-17-22-11-5-2-6-12-22/h2-16,21,25,27-28,31H,17-20H2,1H3,(H2,33,35,38)/t25-,27-,28-,31-/m1/s1
SMILES: CC[C@@]12C[C@@H](C(=S)N3[C@@]14[C@]5(CC3)[C@H]([C@@]([C@@H]2OCC6=CC=CC=C6)(O4)C(=O)OC)N(C7=CC=CC=C57)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C38H52N2O5SSi/c1-10-35-22-30(44-47(24(2)3,25(4)5)26(6)7)31(46)40-21-20-36-28-18-14-15-19-29(28)39(8)32(36)37(34(41)42-9,45-38(35,36)40)33(35)43-23-27-16-12-11-13-17-27/h11-19,24-26,30,32-33H,10,20-23H2,1-9H3/t30-,32+,33+,35-,36-,37-,38-/m0/s1
SMILES: CCC(C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C(CC)OC(=O)C)OC(=O)C(CC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H36FN3O14/c1-7-16(40-12(4)32)24(35)39-11-19-20(44-25(36)17(8-2)41-13(5)33)21(45-26(37)18(9-3)42-14(6)34)23(43-19)31-10-15(28)22(29)30-27(31)38/h10,16-21,23H,7-9,11H2,1-6H3,(H2,29,30,38)/t16?,17?,18?,19-,20-,21-,23-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]1C7=C(C8=CC=CC=C8C=C7)O)C(=O)N(C2=O)C9=CC=CC=C9
InChI: InChI=1S/C42H38N6O8/c1-42-28(37(50)47(39(42)52)24-11-6-5-7-12-24)20-31-26(35(42)27-15-14-23-10-8-9-13-25(23)36(27)49)16-19-46-40(53)45(41(54)48(31)46)18-17-29-38(51)44(2)32-22-34(56-4)33(55-3)21-30(32)43-29/h5-16,21-22,28,31,35,49H,17-20H2,1-4H3/t28-,31+,35+,42+/m0/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@H]2[C@@H]([C@H](O1)C(C)NCC3=CC=C(C=C3)F)OC(O2)(C)C
InChI: InChI=1S/C28H46FNO4/c1-5-6-7-8-9-10-11-12-13-14-19-31-27-26-25(33-28(3,4)34-26)24(32-27)21(2)30-20-22-15-17-23(29)18-16-22/h15-18,21,24-27,30H,5-14,19-20H2,1-4H3/t21?,24-,25-,26-,27-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4[C@@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C35H27NO5/c1-19-15-16-20(2)26(17-19)28(37)18-41-35(40)25-13-7-8-14-27(25)36-33(38)31-29-21-9-3-4-10-22(21)30(32(31)34(36)39)24-12-6-5-11-23(24)29/h3-17,29-32H,18H2,1-2H3/t29?,30?,31-,32-/m0/s1
SMILES: CCC12[C@@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6C(=O)OCC
InChI: InChI=1S/C29H25NO4/c1-3-29-20-14-8-5-11-17(20)23(18-12-6-9-15-21(18)29)24-25(29)27(32)30(26(24)31)22-16-10-7-13-19(22)28(33)34-4-2/h5-16,23-25H,3-4H2,1-2H3/t23?,24-,25+,29?/m0/s1
SMILES: COC1=CC=CC(=C1)[C@]23C=C(CN([C@H]2CC4=C3C(=CC(=C4)OC)OC)C(=O)OC)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C24H24F3NO8S/c1-32-16-7-5-6-15(10-16)23-12-18(36-37(30,31)24(25,26)27)13-28(22(29)35-4)20(23)9-14-8-17(33-2)11-19(34-3)21(14)23/h5-8,10-12,20H,9,13H2,1-4H3/t20-,23+/m0/s1
SMILES: CC(C)C(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@@H]3[C@@H](CCC2=C)C(=C)C(=O)O3
InChI: InChI=1S/C19H24O4/c1-9(2)18(20)22-15-8-14-10(3)6-7-13-11(4)19(21)23-17(13)16(14)12(15)5/h9,13-17H,3-8H2,1-2H3/t13-,14-,15-,16-,17-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]([C@@H]3[C@H]2C4=CC=CC=C4C5=CC=CC=C35)C6=CC=CC=C6
InChI: InChI=1S/C28H22/c1-3-11-19(12-4-1)25-26(20-13-5-2-6-14-20)28-24-18-10-8-16-22(24)21-15-7-9-17-23(21)27(25)28/h1-18,25-28H/t25-,26+,27+,28-
SMILES: CC1=CC(=CC(=C1O)C/C=C(\C)/CC2(C[C@]3(CCC[C@]3(C(=O)C2CC(C)(C)O)C)C)O)OC
InChI: InChI=1S/C28H42O5/c1-18(9-10-20-14-21(33-7)13-19(2)23(20)29)15-28(32)17-26(5)11-8-12-27(26,6)24(30)22(28)16-25(3,4)31/h9,13-14,22,29,31-32H,8,10-12,15-17H2,1-7H3/b18-9+/t22?,26-,27+,28?/m1/s1
SMILES: CC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C13H12F2N2O3S2/c1-7(18)16-13-17(10-3-2-8(14)4-9(10)15)11-5-22(19,20)6-12(11)21-13/h2-4,11-12H,5-6H2,1H3/t11-,12-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C3=C(CC4=CC=CC=C43)C(=C(C2=S)C#N)C5=CC=C(C=C5)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H29ClN2O9S/c1-16(37)41-15-26-29(42-17(2)38)30(43-18(3)39)31(44-19(4)40)32(45-26)36-28-23-8-6-5-7-21(23)13-24(28)27(25(14-35)33(36)46)20-9-11-22(34)12-10-20/h5-12,26,29-32H,13,15H2,1-4H3/t26-,29+,30+,31-,32-/m1/s1
SMILES: CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@@H]3C(=O)OC)C4=CC=C(C=C4)O
InChI: InChI=1S/C22H23N3O4/c1-13(2)12-18-23-17-7-5-4-6-16(17)21(27)24(18)25-19(20(25)22(28)29-3)14-8-10-15(26)11-9-14/h4-11,13,19-20,26H,12H2,1-3H3/t19-,20+,25?/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C
InChI: InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)N2C=C[C@@H](CC2=O)C3=CC=CC=C3)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C37H53NO10/c1-34(2,3)30(40)44-21-24-26(46-31(41)35(4,5)6)27(47-32(42)36(7,8)9)28(48-33(43)37(10,11)12)29(45-24)38-19-18-23(20-25(38)39)22-16-14-13-15-17-22/h13-19,23-24,26-29H,20-21H2,1-12H3/t23-,24+,26-,27-,28+,29-/m0/s1
SMILES: [B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCOC(=O)C(C)(C)C)O
InChI: InChI=1S/C17H25BF2N5O13P3/c1-9-6-25(15(28)22-13(9)26)12-5-10(23-24-21)11(37-12)7-35-41(18,33)38-40(31,32)17(19,20)39(29,30)36-8-34-14(27)16(2,3)4/h6,10-12H,5,7-8H2,1-4H3,(H,29,30)(H,31,32)(H,22,26,28)/q-1/t10-,11+,12+,41-/m0/s1
SMILES: C/C=C/[C@@H]1[C@@H]2[C@@H](C[C@H](O1)C[Se]C3=CC=CC=C3)COC2=O
InChI: InChI=1S/C17H20O3Se/c1-2-6-15-16-12(10-19-17(16)18)9-13(20-15)11-21-14-7-4-3-5-8-14/h2-8,12-13,15-16H,9-11H2,1H3/b6-2+/t12-,13-,15+,16-/m0/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)NC[C@@H](C5=CC=CC=C5)O)C6=CC=CC=C6NC4=O)C7=CC=C(C=C7)O)C8=CC=CC=C8
InChI: InChI=1S/C41H35N3O6/c45-29-22-20-28(21-23-29)37-41(30-18-10-11-19-31(30)43-40(41)49)33(38(47)42-24-32(46)25-12-4-1-5-13-25)35-39(48)50-36(27-16-8-3-9-17-27)34(44(35)37)26-14-6-2-7-15-26/h1-23,32-37,45-46H,24H2,(H,42,47)(H,43,49)/t32-,33-,34-,35-,36+,37+,41-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)[C@@]23[C@@H](CCC2=O)[C@@](N[C@H]3C4=CC=CC=C4)(C)C(=O)OC
InChI: InChI=1S/C23H25NO4S/c1-15-9-11-17(12-10-15)29(27)23-18(13-14-19(23)25)22(2,21(26)28-3)24-20(23)16-7-5-4-6-8-16/h4-12,18,20,24H,13-14H2,1-3H3/t18-,20-,22-,23-,29?/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OCCC(C)(C)O
InChI: InChI=1S/C26H44O3/c1-17(29-15-14-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)10-12-25(18,4)23(20)11-13-26(21,22)5/h6,17,19-23,27-28H,7-16H2,1-5H3/t17-,19-,20-,21+,22-,23-,25-,26+/m0/s1
SMILES: CC1=CC(=CC=C1)CC/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=C3)CCCCC(=O)OC)O
InChI: InChI=1S/C25H34O3/c1-18-8-7-11-19(14-18)9-3-5-12-22-23-16-20(15-21(23)17-24(22)26)10-4-6-13-25(27)28-2/h5,7-8,11-12,14-15,21-24,26H,3-4,6,9-10,13,16-17H2,1-2H3/b12-5+/t21-,22+,23-,24+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)C
InChI: InChI=1S/C27H48O8S2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(34-36(28,29)30)25(35-37(31,32)33)16-27(19,5)23(20)13-14-26(21,22)4/h17-25H,6-16H2,1-5H3,(H,28,29,30)(H,31,32,33)/t18-,19+,20?,21-,22?,23?,24+,25+,26-,27+/m1/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)NC(=O)C5CCCN5)O)O
InChI: InChI=1S/C23H28N8O5/c1-24-22(35)18-16(32)17(33)23(36-18)31-11-29-15-19(27-10-28-20(15)31)26-9-12-4-2-5-13(8-12)30-21(34)14-6-3-7-25-14/h2,4-5,8,10-11,14,16-18,23,25,32-33H,3,6-7,9H2,1H3,(H,24,35)(H,30,34)(H,26,27,28)/t14?,16-,17+,18-,23+/m0/s1
SMILES: CC1=C2C(=C(C=C1)Cl)[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C20H18ClNO2/c1-11-5-10-16(21)17-14-3-2-4-15(14)19(22-18(11)17)12-6-8-13(9-7-12)20(23)24/h2-3,5-10,14-15,19,22H,4H2,1H3,(H,23,24)/t14-,15+,19-/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H19ClN2O3/c23-15-6-8-16(9-7-15)24-20(26)14-2-1-3-17(11-14)25-21(27)18-12-4-5-13(10-12)19(18)22(25)28/h1-3,6-9,11-13,18-19H,4-5,10H2,(H,24,26)/t12-,13-,18-,19-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCCC3=CC=CS3
InChI: InChI=1S/C17H22N2O3S/c20-15(18-9-7-12-4-3-11-23-12)8-10-19-16(21)13-5-1-2-6-14(13)17(19)22/h3-4,11,13-14H,1-2,5-10H2,(H,18,20)/t13-,14+
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@@H]([NH+]3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C21H14ClN3O2/c22-13-5-3-6-14(10-13)25-20(26)17-16(11-23)24-9-8-12-4-1-2-7-15(12)19(24)18(17)21(25)27/h1-10,16-19H/p+1/t16-,17-,18-,19+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](C(=O)C3=O)(C)C=C)C)O)C)O
InChI: InChI=1S/C22H32O8/c1-8-19(5)15(26)16(27)22(28)20(6)12(24)9-10-18(3,4)14(20)13(25)17(29-11(2)23)21(22,7)30-19/h8,12-14,17,24-25,28H,1,9-10H2,2-7H3/t12-,13-,14-,17-,19-,20-,21+,22-/m0/s1
SMILES: CCCCCCCC[C@@H]1[C@@H]2[C@H](C(=O)O1)OC(=O)C2(C)S(=O)C
InChI: InChI=1S/C16H26O5S/c1-4-5-6-7-8-9-10-11-12-13(14(17)20-11)21-15(18)16(12,2)22(3)19/h11-13H,4-10H2,1-3H3/t11-,12-,13-,16?,22?/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16+,17+,18+,19+,20+,21+,23+,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]3C[C@H]4C5=C(CCN4C(=O)C3=CO2)C6=CC(=C(C=C6N5)OC)OC)C=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H42N2O14/c1-8-20-22-11-26-30-21(23-12-27(44-6)28(45-7)13-25(23)37-30)9-10-38(26)34(43)24(22)14-47-35(20)52-36-33(50-19(5)42)32(49-18(4)41)31(48-17(3)40)29(51-36)15-46-16(2)39/h8,12-14,20,22,26,29,31-33,35-37H,1,9-11,15H2,2-7H3/t20-,22+,26+,29-,31-,32+,33-,35+,36+/m1/s1
SMILES: C/C(=C/C(=O)O)/C1=C(C2=C(C(=C1O)[C@@H]3[C@H]([C@@H]([C@H](C(O3)CO)O)O)O)O[C@@H]4[C@@H]2O[C@H]([C@@H](C4O)O)CO)O
InChI: InChI=1S/C22H28O14/c1-5(2-8(25)26)9-14(29)10(20-18(33)16(31)12(27)6(3-23)34-20)19-11(15(9)30)21-22(36-19)17(32)13(28)7(4-24)35-21/h2,6-7,12-13,16-18,20-24,27-33H,3-4H2,1H3,(H,25,26)/b5-2-/t6?,7-,12-,13-,16+,17?,18-,20+,21+,22-/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H33N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h4-5,10-11,18-19H,2-3,6-9,12-17H2,1H3/t18-,19+
SMILES: CC1=CC(=CC(=C1OCC(COC)O)Cl)CCC(=O)C2=C3C[C@@H]4[C@H](C3=C(S2)C)C4(C)C
InChI: InChI=1S/C25H31ClO4S/c1-13-8-15(9-19(26)23(13)30-12-16(27)11-29-5)6-7-20(28)24-17-10-18-22(25(18,3)4)21(17)14(2)31-24/h8-9,16,18,22,27H,6-7,10-12H2,1-5H3/t16?,18-,22-/m1/s1
SMILES: COC1=CC(=C(C=C1)N2C(=NN=N2)C(F)(F)F)C3=C[C@@]4(CCCN[C@H]4C5=CC=CC=C5)OC3
InChI: InChI=1S/C23H22F3N5O2/c1-32-17-8-9-19(31-21(23(24,25)26)28-29-30-31)18(12-17)16-13-22(33-14-16)10-5-11-27-20(22)15-6-3-2-4-7-15/h2-4,6-9,12-13,20,27H,5,10-11,14H2,1H3/t20-,22+/m0/s1
SMILES: C[C@H]1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(/C=C/[C@H](C1)C)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)C
InChI: InChI=1S/C30H39NO3/c1-19-10-9-13-25-17-21(3)22(4)28-26(18-24-11-7-6-8-12-24)31-29(33)30(25,28)27(34-23(5)32)15-14-20(2)16-19/h6-9,11-15,17,19-20,22,25-28H,10,16,18H2,1-5H3,(H,31,33)/b13-9+,15-14+/t19-,20+,22+,25-,26-,27?,28-,30+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H]2[C@H](CC[C@@H](O2)OC)O)CON=[N+]=[N-])C
InChI: InChI=1S/C12H21N3O6/c1-12(2)20-8(6-18-15-14-13)11(21-12)10-7(16)4-5-9(17-3)19-10/h7-11,16H,4-6H2,1-3H3/t7-,8-,9+,10+,11+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=C(C(=CC=C6)Cl)Cl
InChI: InChI=1S/C27H17Cl2NO6/c1-35-14-11-9-13(10-12-14)30-25(33)19-20(26(30)34)27(23(31)15-5-2-3-6-16(15)24(27)32)36-22(19)17-7-4-8-18(28)21(17)29/h2-12,19-20,22H,1H3/t19-,20+,22-/m1/s1
SMILES: C/C(=C\C1=C(C=C(C=C1)F)F)/CN(C[C@@H]2C[C@@H]3CCCC[C@@H]3N2)C(=O)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C28H34F2N2O3/c1-18(12-19-8-10-22(29)15-24(19)30)16-32(17-23-13-20-6-4-5-7-25(20)31-23)28(33)21-9-11-26(34-2)27(14-21)35-3/h8-12,14-15,20,23,25,31H,4-7,13,16-17H2,1-3H3/b18-12+/t20-,23-,25-/m0/s1
SMILES: COC(=O)[C@H]1C[C@@H]2CC(C[C@]23[C@H]1CO[C@H]3O)(OC)OC
InChI: InChI=1S/C14H22O6/c1-17-11(15)9-4-8-5-13(18-2,19-3)7-14(8)10(9)6-20-12(14)16/h8-10,12,16H,4-7H2,1-3H3/t8-,9+,10+,12-,14-/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)[C@@H]3C[C@@H]4C[C@@H]3C=C4
InChI: InChI=1S/C23H23NO4/c1-27-19-9-5-8-18(14-19)24-22(25)21(16-6-3-2-4-7-16)28-23(26)20-13-15-10-11-17(20)12-15/h2-11,14-15,17,20-21H,12-13H2,1H3,(H,24,25)/t15-,17-,20+,21+/m0/s1
SMILES: C1COCCN1CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C15H20N2O3/c18-14-12-10-1-2-11(9-10)13(12)15(19)17(14)4-3-16-5-7-20-8-6-16/h1-2,10-13H,3-9H2/t10-,11+,12-,13-/m0/s1
SMILES: C=C[C@H]1[C@@H](CO[C@@H]1C2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C21H20O5/c1-2-16-15(7-13-3-5-17-19(8-13)25-11-23-17)10-22-21(16)14-4-6-18-20(9-14)26-12-24-18/h2-6,8-9,15-16,21H,1,7,10-12H2/t15-,16+,21-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H26O9/c1-14-5-7-18(8-6-14)22(29)19-9-11-20(12-10-19)34-25-24(33-17(4)28)23(32-16(3)27)21(13-30-25)31-15(2)26/h5-12,21,23-25H,13H2,1-4H3/t21-,23+,24-,25+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@@H](C(=O)O)O)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C17H19NO6S/c1-17(2)12(16(23)24-8-9-6-4-3-5-7-9)18-13(20)10(14(18)25-17)11(19)15(21)22/h3-7,10-12,14,19H,8H2,1-2H3,(H,21,22)/t10-,11+,12+,14-/m1/s1
SMILES: CC1O[C@@H]([C@H](O1)[C@@H](C2=CC=CC=C2)C(C)C)[C@@H](C)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(C[C@H]([C@H](C6)O)O)C)C
InChI: InChI=1S/C35H52O5/c1-19(2)31(22-10-8-7-9-11-22)33-32(39-21(4)40-33)20(3)24-12-13-25-23-16-28(36)27-17-29(37)30(38)18-35(27,6)26(23)14-15-34(24,25)5/h7-11,19-21,23-27,29-33,37-38H,12-18H2,1-6H3/t20-,21?,23-,24+,25-,26-,27+,29-,30+,31+,32+,33+,34+,35+/m0/s1
SMILES: CC(=CCCC(C)(C=C)OP1N([C@H]([C@@H](N1C)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F)C)C
InChI: InChI=1S/C28H33F6N2OP/c1-7-26(4,16-10-11-19(2)3)37-38-35(5)24(20-12-8-14-22(17-20)27(29,30)31)25(36(38)6)21-13-9-15-23(18-21)28(32,33)34/h7-9,11-15,17-18,24-25H,1,10,16H2,2-6H3/t24-,25-,26?/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@@]3([C@H]2O3)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C27H28O5/c28-19-27-25(31-18-22-14-8-3-9-15-22)23(29-16-20-10-4-1-5-11-20)24(26(27)32-27)30-17-21-12-6-2-7-13-21/h1-15,23-26,28H,16-19H2/t23-,24-,25+,26+,27-/m1/s1
SMILES: CC(C)(C)C1=CC2=CC=C3C=C(C=C4[C@H]3[C@@H]2C(=C1)C5=CC=CC=C54)C(C)(C)C
InChI: InChI=1S/C28H30/c1-27(2,3)19-13-17-11-12-18-14-20(28(4,5)6)16-24-22-10-8-7-9-21(22)23(15-19)25(17)26(18)24/h7-16,25-26H,1-6H3/t25-,26-/m0/s1
SMILES: CC(=O)O[C@H]1CC(=O)N([C@@H]1CC(=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C21H21NO4/c1-15(23)26-20-13-21(25)22(14-16-8-4-2-5-9-16)18(20)12-19(24)17-10-6-3-7-11-17/h2-11,18,20H,12-14H2,1H3/t18-,20+/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(CC[C@@H](C4)N=[N+]=[N-])C)C
InChI: InChI=1S/C27H47N3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-30-28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CC(=O)N(C)[C@H](C1=CC=CC=C1)[C@]2(CCC[C@H]2OC(=O)C)COC(=O)C
InChI: InChI=1S/C20H27NO5/c1-14(22)21(4)19(17-9-6-5-7-10-17)20(13-25-15(2)23)12-8-11-18(20)26-16(3)24/h5-7,9-10,18-19H,8,11-13H2,1-4H3/t18-,19-,20-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)COC(=O)C)O
InChI: InChI=1S/C29H50O6/c1-17(2)7-6-8-18(3)23-14-24(32)26-21-13-25(33)29(34)15-20(31)9-11-27(29,5)22(21)10-12-28(23,26)16-35-19(4)30/h17-18,20-26,31-34H,6-16H2,1-5H3/t18-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29+/m1/s1
SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)C)O)(C)O)C)CCCNC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C)O)(C)O
InChI: InChI=1S/C41H71N3O13/c1-13-31-41(9,51)35(47)27(7)44(16-14-15-42-39(49)43-28-18-29(52-10)34(54-12)30(19-28)53-11)21-22(2)20-40(8,50)36(25(5)33(46)26(6)37(48)56-31)57-38-32(45)23(3)17-24(4)55-38/h18-19,22-27,31-33,35-36,38,45-47,50-51H,13-17,20-21H2,1-12H3,(H2,42,43,49)/t22-,23-,24+,25+,26-,27-,31-,32+,33+,35-,36-,38-,40-,41-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20-,21-,22+,24-,25-/m1/s1
SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)N)N
InChI: InChI=1S/C26H21N5O3/c1-25-26(28,24(27)33)10-17(34-25)30-15-8-4-2-6-12(15)19-20-14(11-29-23(20)32)18-13-7-3-5-9-16(13)31(25)22(18)21(19)30/h2-9,17H,10-11,28H2,1H3,(H2,27,33)(H,29,32)/t17-,25+,26+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@](O2)(C3=NC(CO3)(C)C)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI: InChI=1S/C27H27NO3/c1-19-14-16-20(17-15-19)23-27(31-23,24-28-25(2,3)18-30-24)26(29,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,23,29H,18H2,1-3H3/t23-,27+/m1/s1
SMILES: C[Si](C)(C)OC[C@@H]1[C@H]([C@@H](C[C@H](O1)N2C(=O)CCC2=O)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C19H39NO6Si3/c1-27(2,3)23-13-15-19(26-29(7,8)9)14(25-28(4,5)6)12-18(24-15)20-16(21)10-11-17(20)22/h14-15,18-19H,10-13H2,1-9H3/t14-,15-,18+,19+/m1/s1
SMILES: COC1=CC=CC(=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)CCCC(=O)O
InChI: InChI=1S/C17H20N2O6S2/c1-25-12-5-2-4-11(8-12)19-13-9-27(23,24)10-14(13)26-17(19)18-15(20)6-3-7-16(21)22/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3,(H,21,22)/t13-,14+/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C)C(=O)N(C3=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C
InChI: InChI=1S/C50H48N8O6/c1-6-64-42-9-7-8-38(46(42)59)43-37-26-27-39-44(49(62)57(47(39)60)35-22-14-31(15-23-35)53-51-29-10-18-33(19-11-29)55(2)3)40(37)28-41-45(43)50(63)58(48(41)61)36-24-16-32(17-25-36)54-52-30-12-20-34(21-13-30)56(4)5/h7-26,39-41,43-45,59H,6,27-28H2,1-5H3/t39-,40+,41+,43+,44-,45+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]2COC3=C([C@@H]2N1C)C=C(C=C3)Cl
InChI: InChI=1S/C15H18ClNO3/c1-3-19-15(18)12-6-9-8-20-13-5-4-10(16)7-11(13)14(9)17(12)2/h4-5,7,9,12,14H,3,6,8H2,1-2H3/t9-,12-,14-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@H](C(O2)OCC4=CC=CC=C4)OC(O3)(C)C)C
InChI: InChI=1S/C19H26O6/c1-18(2)21-11-13-14(23-18)15-16(25-19(3,4)24-15)17(22-13)20-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16-,17?/m1/s1
SMILES: CCC(CC)C([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)N=C(N)NC(=O)OCOC(=O)C)NC(=O)C
InChI: InChI=1S/C20H34N4O8/c1-6-12(7-2)16(22-10(3)25)15-14(8-13(17(15)27)18(28)30-5)23-19(21)24-20(29)32-9-31-11(4)26/h12-17,27H,6-9H2,1-5H3,(H,22,25)(H3,21,23,24,29)/t13-,14+,15+,16?,17+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N2C(=O)C[C@@H]3[C@H](CCCN3C2=O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)OC6C7CC8CC(C7)CC6C8
InChI: InChI=1S/C38H46N6O5/c1-42(2)27-9-11-28(12-10-27)44-34(45)20-33-31(8-5-13-43(33)38(44)48)40-36(46)32(19-26-21-39-30-7-4-3-6-29(26)30)41-37(47)49-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,39H,5,8,13-20H2,1-2H3,(H,40,46)(H,41,47)/t22?,23?,24?,25?,31-,32-,33+,35?/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)SC(=O)N3C=CN=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C32H28N2O9S/c1-39-31-26(43-30(37)23-15-9-4-10-16-23)25(42-29(36)22-13-7-3-8-14-22)27(44-32(38)34-18-17-33-20-34)24(41-31)19-40-28(35)21-11-5-2-6-12-21/h2-18,20,24-27,31H,19H2,1H3/t24-,25-,26+,27-,31+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@H]1C[C@H](C(=C2)C)O)C(C)C(=O)OC
InChI: InChI=1S/C16H26O3/c1-9-5-6-12(11(3)16(18)19-4)14-7-10(2)15(17)8-13(9)14/h7,9,11-15,17H,5-6,8H2,1-4H3/t9-,11?,12+,13+,14-,15-/m1/s1
SMILES: C1C[C@H](OC1)C(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@H]3S2)CC4=CC=CC=C4Cl
InChI: InChI=1S/C17H19ClN2O4S2/c18-12-5-2-1-4-11(12)8-20-13-9-26(22,23)10-15(13)25-17(20)19-16(21)14-6-3-7-24-14/h1-2,4-5,13-15H,3,6-10H2/t13-,14+,15-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C=C(C=C6)OCC7=CC=CC=C7)O)C(=O)C(=CC5=O)C)(O)O
InChI: InChI=1S/C36H30BNO8/c1-19-14-29(39)28-17-27-24(12-13-26-32(27)36(43)38(35(26)42)22-9-5-8-21(15-22)37(44)45)31(33(28)34(19)41)25-11-10-23(16-30(25)40)46-18-20-6-3-2-4-7-20/h2-12,14-16,26-27,31-32,40,44-45H,13,17-18H2,1H3/t26-,27+,31+,32-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C41H63N3O4Si/c1-40(2,3)43-39(47)35-24-29-18-12-13-20-31(29)26-44(35)27-33(48-49(7,8)41(4,5)6)23-32(22-28-16-10-9-11-17-28)38(46)42-37-34-21-15-14-19-30(34)25-36(37)45/h9-11,14-17,19,21,29,31-33,35-37,45H,12-13,18,20,22-27H2,1-8H3,(H,42,46)(H,43,47)/t29-,31+,32+,33-,35-,36+,37-/m0/s1
SMILES: COC1=NC2=C(C=C1)[C@@]3(CC(=C)C[C@H](C2)C3=O)C(=O)O[C@@H]4CCCC[C@H]4C5=CC=CC=C5
InChI: InChI=1S/C27H29NO4/c1-17-14-19-15-22-21(12-13-24(28-22)31-2)27(16-17,25(19)29)26(30)32-23-11-7-6-10-20(23)18-8-4-3-5-9-18/h3-5,8-9,12-13,19-20,23H,1,6-7,10-11,14-16H2,2H3/t19-,20+,23-,27-/m1/s1
SMILES: C[C@]12CCC3C(C1CC(=O)[C@@H]2C4CCCCO4)C(=O)C=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C24H34O4/c1-23-8-6-15(25)11-14(23)12-18(26)21-16(23)7-9-24(2)17(21)13-19(27)22(24)20-5-3-4-10-28-20/h12,15-17,20-22,25H,3-11,13H2,1-2H3/t15-,16?,17?,20?,21?,22+,23-,24-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3Cl)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl3N/c19-14-8-3-7-13(16(14)21)17-11-5-1-4-10(11)12-6-2-9-15(20)18(12)22-17/h1-4,6-11,17,22H,5H2/t10-,11+,17-/m0/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H21NO6/c1-2-26-14-9-7-13(8-10-14)17(22)12-27-18(23)11-21-19(24)15-5-3-4-6-16(15)20(21)25/h3-4,7-10,15-16H,2,5-6,11-12H2,1H3/t15-,16-/m0/s1
SMILES: CCC(C)C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@@]3([C@H]4[C@@]2(CO3)[C@@H](CC5=C(C=CC(=C45)C)C)OC1=O)O)O)C
InChI: InChI=1S/C25H32O7/c1-6-11(2)22(27)32-19-18-14(5)21(26)25(29)20-17-13(4)8-7-12(3)15(17)9-16(31-23(19)28)24(18,20)10-30-25/h7-8,11,14,16,18-21,26,29H,6,9-10H2,1-5H3/t11?,14-,16-,18-,19-,20-,21-,24+,25+/m1/s1
SMILES: C[C@@]1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(CC3=NC=CN3)C4=CC(=CC=C4)Cl)O)C(OC)OC
InChI: InChI=1S/C23H25ClN4O6/c1-23(22(32-2)33-3)21(29)20(17-12-16(28(30)31)7-8-18(17)34-23)27(13-19-25-9-10-26-19)15-6-4-5-14(24)11-15/h4-12,20-22,29H,13H2,1-3H3,(H,25,26)/t20-,21+,23+/m0/s1
SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)OC[C@@H]2[C@H](C2(Cl)Cl)COC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C21H16Cl6O6/c22-11-1-3-17(15(24)5-11)30-9-19(28)32-7-13-14(21(13,26)27)8-33-20(29)10-31-18-4-2-12(23)6-16(18)25/h1-6,13-14H,7-10H2/t13-,14-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@](O[C@@H]2O1)(CN3CCN(CC3)C(=O)C(F)(F)F)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C29H31F3N2O8/c1-27(2)40-21-22(39-24(36)20-11-7-4-8-12-20)28(42-25(21)41-27,18-38-23(35)19-9-5-3-6-10-19)17-33-13-15-34(16-14-33)26(37)29(30,31)32/h3-12,21-22,25H,13-18H2,1-2H3/t21-,22-,25+,28-/m1/s1
SMILES: CC1(O[C@@H]2CO[C@]3(CN(C(=O)O3)C(=O)C4=CC=CC=C4)[C@H]([C@@H]2O1)O)C
InChI: InChI=1S/C17H19NO7/c1-16(2)23-11-8-22-17(13(19)12(11)24-16)9-18(15(21)25-17)14(20)10-6-4-3-5-7-10/h3-7,11-13,19H,8-9H2,1-2H3/t11-,12-,13+,17+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NNC(=O)C3=CC=CO3
InChI: InChI=1S/C17H19N3O7/c21-13(18-19-15(23)12-6-3-7-26-12)9-27-14(22)8-20-16(24)10-4-1-2-5-11(10)17(20)25/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,18,21)(H,19,23)/t10-,11-/m0/s1