EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OC(CF)C(=O)O)/C3=CSC(=N3)N)C(=O)[O-])CSC4=CC=[N+](C=C4)CCF
InChI: InChI=1S/C23H22F2N6O7S3/c24-3-6-30-4-1-12(2-5-30)39-8-11-9-40-20-16(19(33)31(20)17(11)22(36)37)28-18(32)15(13-10-41-23(26)27-13)29-38-14(7-25)21(34)35/h1-2,4-5,10,14,16,20H,3,6-9H2,(H4-,26,27,28,32,34,35,36,37)/b29-15-/t14?,16-,20-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)N[C@H]2C[C@@H]3C(=O)N[C@H]4CCN([C@@H]4C(=O)N3C2)C(=O)COC
InChI: InChI=1S/C22H28N4O5/c1-12-4-5-13(2)15(8-12)20(28)23-14-9-17-21(29)24-16-6-7-25(18(27)11-31-3)19(16)22(30)26(17)10-14/h4-5,8,14,16-17,19H,6-7,9-11H2,1-3H3,(H,23,28)(H,24,29)/t14-,16-,17+,19-/m0/s1
SMILES: C1CCN2[C@H](C1)[C@@H]3CCCCN3C4=C2C=C(C(=C4)C#N)C#N
InChI: InChI=1S/C18H20N4/c19-11-13-9-17-18(10-14(13)12-20)22-8-4-2-6-16(22)15-5-1-3-7-21(15)17/h9-10,15-16H,1-8H2/t15-,16+
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3OC
InChI: InChI=1S/C22H29NO5/c1-14-7-6-9-18(15(14)2)23-12-16(11-21(23)25)22(26)28-13-19(24)17-8-4-5-10-20(17)27-3/h4-5,8,10,14-16,18H,6-7,9,11-13H2,1-3H3/t14-,15+,16+,18+/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)CCC(=O)O)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C39H48N2O8/c1-25-33(23-41-20-6-9-32(41)37(46)49-39(2,3)4)47-38(48-36(25)29-12-10-26(24-42)11-13-29)30-16-14-28(15-17-30)31-8-5-7-27(21-31)22-40-34(43)18-19-35(44)45/h5,7-8,10-17,21,25,32-33,36,38,42H,6,9,18-20,22-24H2,1-4H3,(H,40,43)(H,44,45)/t25-,32+,33+,36+,38+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C)[C@@H]6[C@@H](OC(O6)(C)C)C(=O)C
InChI: InChI=1S/C29H46O4/c1-16(24-25(17(2)30)33-26(3,4)32-24)20-8-9-21-19-14-23(31-7)29-15-18(29)10-13-28(29,6)22(19)11-12-27(20,21)5/h16,18-25H,8-15H2,1-7H3/t16-,18-,19-,20+,21-,22-,23+,24+,25-,27+,28+,29-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CC(C(=O)O4)[Se](=O)C5=CC=CC=C5)CC[C@@H]6[C@@]3(CC(C(=O)C6)[Se](=O)C7=CC=CC=C7)C
InChI: InChI=1S/C34H40O5Se2/c1-32-20-29(40(37)23-9-5-3-6-10-23)28(35)19-22(32)13-14-25-26(32)15-17-33(2)27(25)16-18-34(33)21-30(31(36)39-34)41(38)24-11-7-4-8-12-24/h3-12,22,25-27,29-30H,13-21H2,1-2H3/t22-,25+,26-,27-,29?,30?,32-,33-,34+,40?,41?/m0/s1
SMILES: CCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=CC=C2OCCC
InChI: InChI=1S/C19H26N2O4/c1-4-6-12-25-18(22)16-13(3)20-19(23)21-17(16)14-9-7-8-10-15(14)24-11-5-2/h7-10,16-17H,3-6,11-12H2,1-2H3,(H2,20,21,23)/t16-,17+/m1/s1
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Br)O[C@@H]4CO[C@@H]5[C@H]4OC[C@H]5F
InChI: InChI=1S/C22H18BrF4N3O4/c1-31-16-5-11-14(6-17(16)34-18-8-33-19-13(24)7-32-20(18)19)28-9-29-21(11)30-15-4-10(22(25,26)27)2-3-12(15)23/h2-6,9,13,18-20H,7-8H2,1H3,(H,28,29,30)/t13-,18-,19+,20+/m1/s1
SMILES: C[C@@H]1[C@@]2(C[C@@H]2C([C@@]1(C#N)O[Si](C)(C)C)(C)C)C(C)C
InChI: InChI=1S/C16H29NOSi/c1-11(2)15-9-13(15)14(4,5)16(10-17,12(15)3)18-19(6,7)8/h11-13H,9H2,1-8H3/t12-,13-,15-,16+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](CO[C@]3(O2)C4=CC=CC=C4CO3)O[C@@H]([C@@H]1OC(=O)C)OCC=C
InChI: InChI=1S/C21H24O9/c1-4-9-24-20-19(28-13(3)23)18(27-12(2)22)17-16(29-20)11-26-21(30-17)15-8-6-5-7-14(15)10-25-21/h4-8,16-20H,1,9-11H2,2-3H3/t16-,17-,18+,19-,20+,21+/m1/s1
SMILES: C[C@H]1CCC[C@@H]1OC(=O)C2=C(C3=C(N2)C[C@@H](CC3=O)C4=CC=C(C=C4)F)C
InChI: InChI=1S/C22H24FNO3/c1-12-4-3-5-19(12)27-22(26)21-13(2)20-17(24-21)10-15(11-18(20)25)14-6-8-16(23)9-7-14/h6-9,12,15,19,24H,3-5,10-11H2,1-2H3/t12-,15-,19-/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C4=C(NC(=O)S4)S[C@@H]3C2=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C24H20N2O6S2/c1-3-32-23(29)13-4-8-14(9-5-13)26-21(27)17-16(12-6-10-15(31-2)11-7-12)18-20(25-24(30)34-18)33-19(17)22(26)28/h4-11,16-17,19H,3H2,1-2H3,(H,25,30)/t16-,17-,19-/m0/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H](C(O2)O)O)O)O[C@@H](O1)C3=CC=CC=C3
InChI: InChI=1S/C13H16O6/c14-9-10(15)12(16)18-8-6-17-13(19-11(8)9)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11+,12?,13+/m0/s1
SMILES: C1CC[C@@]2(CC[NH+]([C@@H]([C@H]2C1)C3=CC=C(C=C3)F)CC#N)O
InChI: InChI=1S/C17H21FN2O/c18-14-6-4-13(5-7-14)16-15-3-1-2-8-17(15,21)9-11-20(16)12-10-19/h4-7,15-16,21H,1-3,8-9,11-12H2/p+1/t15-,16-,17+/m1/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N\OCC(=O)N(C)CCCCCCN(C)C(=O)CCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)CCC6=C3C=CC(=C6)O
InChI: InChI=1S/C44H68N6O6S/c1-44-23-22-33-32-19-17-31(51)27-30(32)16-18-34(33)35(44)20-21-38(44)48-56-28-41(54)50(3)26-12-5-4-11-25-49(2)40(53)15-7-6-10-24-45-39(52)14-9-8-13-37-42-36(29-57-37)46-43(55)47-42/h17,19,27,33-37,42,51H,4-16,18,20-26,28-29H2,1-3H3,(H,45,52)(H2,46,47,55)/b48-38+/t33-,34-,35+,36+,37+,42+,44+/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: C/C=C/C=C/CN([C@@H]1CCCC[C@H]1OCCCCCCCCC=C)S(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C29H45NO3S/c1-4-6-8-10-11-12-13-17-25-33-29-19-15-14-18-28(29)30(24-16-9-7-5-2)34(31,32)27-22-20-26(3)21-23-27/h4-5,7,9,16,20-23,28-29H,1,6,8,10-15,17-19,24-25H2,2-3H3/b7-5+,16-9+/t28-,29-/m1/s1
SMILES: C[C@@]1(CC(=O)C[C@H]1N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C29H29NO4/c1-29(20-33-19-21-11-5-2-6-12-21)18-24(31)17-25(29)30-26(22-13-7-3-8-14-22)27(34-28(30)32)23-15-9-4-10-16-23/h2-16,25-27H,17-20H2,1H3/t25-,26-,27+,29-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4
InChI: InChI=1S/C20H23NO4/c22-19(21-10-9-14-3-1-2-4-16(14)12-21)13-24-17-7-5-15-6-8-20(23)25-18(15)11-17/h5-8,11,14,16H,1-4,9-10,12-13H2/t14-,16+/m1/s1
SMILES: C1C[C@H]([C@H](OC1)OCC2=CC=CC=C2)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C20H15F17O2/c21-13(22,11-7-4-8-38-12(11)39-9-10-5-2-1-3-6-10)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m1/s1
SMILES: CN1C(=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)CN[C@@H]4CCCC[C@H]4[N-]CC5=NC(=C(N5C)C6=CC=CC=C6)C7=CC=CC=C7.Cl[Rh+]Cl
InChI: InChI=1S/C40H41N6.2ClH.Rh/c1-45-35(43-37(29-17-7-3-8-18-29)39(45)31-21-11-5-12-22-31)27-41-33-25-15-16-26-34(33)42-28-36-44-38(30-19-9-4-10-20-30)40(46(36)2)32-23-13-6-14-24-32;;;/h3-14,17-24,33-34,41H,15-16,25-28H2,1-2H3;2*1H;/q-1;;;+3/p-2/t33-,34-;;;/m1.../s1
SMILES: C[C@H]1CCC[C@H]1OC(=O)C2=C(N(C(=O)N[C@@H]2C3=CC(=C(C=C3)Cl)Cl)C)C
InChI: InChI=1S/C19H22Cl2N2O3/c1-10-5-4-6-15(10)26-18(24)16-11(2)23(3)19(25)22-17(16)12-7-8-13(20)14(21)9-12/h7-10,15,17H,4-6H2,1-3H3,(H,22,25)/t10-,15+,17+/m0/s1
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H27FN2O5S/c1-22(2)29(26,27)15-9-10-17(21)16(12-15)20(25)28-13-19(24)23-11-5-7-14-6-3-4-8-18(14)23/h9-10,12,14,18H,3-8,11,13H2,1-2H3/t14-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)CC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C21H28N2O/c1-16-7-3-6-10-20(16)22-21(24)15-23(2)14-17-11-12-18-8-4-5-9-19(18)13-17/h4-5,8-9,11-13,16,20H,3,6-7,10,14-15H2,1-2H3,(H,22,24)/p+1/t16-,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br
InChI: InChI=1S/C19H27BrN2O2/c1-15-4-2-3-5-18(15)21-10-12-22(13-11-21)19(23)14-24-17-8-6-16(20)7-9-17/h6-9,15,18H,2-5,10-14H2,1H3/p+1/t15-,18+/m1/s1
SMILES: CCC[C@H]1[C@@H]2CCC3=C([C@H]2CC[C@]1(C)C=NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C=CC(=C3)OC
InChI: InChI=1S/C28H31F6NO/c1-4-5-25-24-8-6-17-12-21(36-3)7-9-22(17)23(24)10-11-26(25,2)16-35-20-14-18(27(29,30)31)13-19(15-20)28(32,33)34/h7,9,12-16,23-25H,4-6,8,10-11H2,1-3H3/t23-,24-,25+,26-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CC4=C(C=C3Br)OCO4
InChI: InChI=1S/C17H19BrN2O4/c1-10-4-2-3-5-17(10)15(21)20(16(22)19-17)8-11-6-13-14(7-12(11)18)24-9-23-13/h6-7,10H,2-5,8-9H2,1H3,(H,19,22)/t10-,17+/m0/s1
SMILES: C[C@]12CCC[C@]3([C@@H]1[C@@H](C=C4C2=CC(=O)O[C@@H]4O)OC3=O)C
InChI: InChI=1S/C16H18O5/c1-15-4-3-5-16(2)12(15)10(20-14(16)19)6-8-9(15)7-11(17)21-13(8)18/h6-7,10,12-13,18H,3-5H2,1-2H3/t10-,12-,13+,15-,16+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@](N(C(=O)O2)CC3=CC=CC=C3)(C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C24H23NO5/c1-28-20-12-8-18(9-13-20)22-24(27,19-10-14-21(29-2)15-11-19)25(23(26)30-22)16-17-6-4-3-5-7-17/h3-15,22,27H,16H2,1-2H3/t22-,24+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CC=CC5)O)O
InChI: InChI=1S/C23H26N8O7S/c1-2-24-21(34)18-16(32)17(33)22(38-18)31-12-27-15-19(25-11-26-20(15)31)29-23(35)28-13-5-7-14(8-6-13)39(36,37)30-9-3-4-10-30/h3-8,11-12,16-18,22,32-33H,2,9-10H2,1H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3([C@@]2(CC=C4[C@]3(CC[C@@]5([C@]4(C[C@@](CC5)(C)C(=O)O)C)C)C)C)C)C
InChI: InChI=1S/C34H54O4/c1-22(35)38-25-13-14-30(6)23(27(25,2)3)11-15-34(10)31(7)20-19-29(5)18-17-28(4,26(36)37)21-32(29,8)24(31)12-16-33(30,34)9/h12,23,25H,11,13-21H2,1-10H3,(H,36,37)/t23?,25-,28-,29+,30-,31+,32-,33+,34-/m0/s1
SMILES: C[C@]12CCC3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@@H](C5)OC(=O)CCCCCCC(=O)O)C
InChI: InChI=1S/C31H46O7/c1-29-14-11-22(38-27(34)8-6-4-3-5-7-26(32)33)18-21(29)9-10-25-24(29)12-15-30(2)23(13-16-31(25,30)36)20-17-28(35)37-19-20/h17,21-25,36H,3-16,18-19H2,1-2H3,(H,32,33)/t21?,22-,23+,24?,25+,29-,30+,31-/m0/s1
SMILES: CCCCN1[C@H]2CC[C@H](C[C@@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI: InChI=1S/C21H29NO4/c1-2-3-11-22-17-10-9-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-7-5-4-6-8-14/h4-8,15-20,23H,2-3,9-13H2,1H3/t15-,16-,17+,18-,19-,20+/m1/s1
SMILES: CC([C@]12COC(=O)C=C[C@H]1[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]([C@@H]2OC(=O)C)OC(=O)C)([C@@H]([C@@H]([C@@]5([C@]4(CC(=C)C=C5C(=O)OC)O)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C40H52O15/c1-19-16-26(35(47)49-11)38(10)34(55-25(7)45)33(54-24(6)44)37(9)28(40(38,48)17-19)14-15-36(8)27-12-13-29(46)50-18-39(27,20(2)51-21(3)41)32(53-23(5)43)30(31(36)37)52-22(4)42/h12-13,16,20,27-28,30-34,48H,1,14-15,17-18H2,2-11H3/t20?,27-,28+,30-,31-,32-,33+,34-,36-,37-,38+,39+,40+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)[C@H](C3=CC=CC=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H42O6/c42-37(35-24-14-5-15-25-35)39-41(46-29-34-22-12-4-13-23-34)40(45-28-33-20-10-3-11-21-33)38(44-27-32-18-8-2-9-19-32)36(47-39)30-43-26-31-16-6-1-7-17-31/h1-25,36-42H,26-30H2/t36-,37+,38-,39+,40+,41+/m1/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI: InChI=1S/C10H14FN3O4/c1-4-2-14(10(17)13-8(4)12)9-6(11)7(16)5(3-15)18-9/h2,5-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t5-,6+,7-,9+/m1/s1
SMILES: CC1=C2[C@H]([C@H]([C@@](CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H18ClNO3/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@]1([C@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O)Br
InChI: InChI=1S/C10H15BrN2O6/c1-10(11)7(16)12-9(18)13(8(10)17)6-2-4(15)5(3-14)19-6/h4-6,8,14-15,17H,2-3H2,1H3,(H,12,16,18)/t4-,5+,6+,8+,10-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)SS(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H40O6S2/c41-48(35-24-14-5-15-25-35)47-40-39(45-29-34-22-12-4-13-23-34)38(44-28-33-20-10-3-11-21-33)37(43-27-32-18-8-2-9-19-32)36(46-40)30-42-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37+,38+,39-,40?,48?/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@H]([C@]1(C)CCO)[C@@H]2CC=C3C[C@H](CC[C@@]3(C2=O)C)O)[C@H]4C[C@@]4(C)C(C)(C(C)C)O
InChI: InChI=1S/C30H50O4/c1-18(2)30(7,34)29(6)17-25(29)19(3)23-10-11-24(28(23,5)14-15-31)22-9-8-20-16-21(32)12-13-27(20,4)26(22)33/h8,18-19,21-25,31-32,34H,9-17H2,1-7H3/t19-,21-,22-,23+,24-,25+,27-,28+,29+,30?/m0/s1
SMILES: C[C@H]1CC[C@@H](C(=O)[C@@H]1[C@]2(C(=C(CC2(C#N)C#N)C=O)N)C#N)C(C)C
InChI: InChI=1S/C19H22N4O2/c1-11(2)14-5-4-12(3)15(16(14)25)19(10-22)17(23)13(7-24)6-18(19,8-20)9-21/h7,11-12,14-15H,4-6,23H2,1-3H3/t12-,14+,15+,19-/m0/s1
SMILES: CCC(CC)[C@@H](CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C)O
InChI: InChI=1S/C28H44O3S/c1-6-18(7-2)25(30)16-32-17(3)22-10-11-23-21-9-8-19-14-20(29)15-26(31)28(19,5)24(21)12-13-27(22,23)4/h8-10,17-18,20,23-26,29-31H,6-7,11-16H2,1-5H3/t17-,20+,23-,24-,25+,26-,27+,28-/m0/s1
SMILES: CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1[C@H]5[C@@H]3C(=O)N(C5=O)C6=CC(=CC=C6)O)(CCC[C@@]4(C)C(=O)[O-])C
InChI: InChI=1S/C30H37NO5/c1-16(2)20-15-30-12-9-21-28(3,10-6-11-29(21,4)27(35)36)22(30)14-19(20)23-24(30)26(34)31(25(23)33)17-7-5-8-18(32)13-17/h5,7-8,13,15-16,19,21-24,32H,6,9-12,14H2,1-4H3,(H,35,36)/p-1/t19-,21+,22+,23-,24+,28-,29+,30-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=CC(=C4)C5=CC=CC(=C5)CNC(=O)NC6=CC=C(C=C6)OC7=CC=CC=C7)C8=CC=C(C=C8)CO
InChI: InChI=1S/C52H60N4O6/c1-52(2,3)55-49(58)47-28-23-37-12-7-8-18-46(37)56(47)33-45-31-48(38-21-19-35(34-57)20-22-38)62-50(61-45)41-15-10-14-40(30-41)39-13-9-11-36(29-39)32-53-51(59)54-42-24-26-44(27-25-42)60-43-16-5-4-6-17-43/h4-6,9-11,13-17,19-22,24-27,29-30,37,45-48,50,57H,7-8,12,18,23,28,31-34H2,1-3H3,(H,55,58)(H2,53,54,59)/t37-,45+,46-,47-,48-,50-/m1/s1
SMILES: C[C@@H]([C@@]1(C=C([C@@H]2[C@H]1O2)NC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H39NO4Si2/c1-14(24-26(8,9)18(2,3)4)20(25-27(10,11)19(5,6)7)12-15(21-13-22)16-17(20)23-16/h12-14,16-17H,1-11H3,(H,21,22)/t14-,16+,17+,20+/m0/s1
SMILES: CN1C(=NN=C1SCC(=O)N2CC[C@H]3CCCC[C@H]3C2)C4=CC=CC=C4OC
InChI: InChI=1S/C21H28N4O2S/c1-24-20(17-9-5-6-10-18(17)27-2)22-23-21(24)28-14-19(26)25-12-11-15-7-3-4-8-16(15)13-25/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/t15-,16+/m1/s1
SMILES: CC(=O)N/N=C/[C@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C.[Na]
InChI: InChI=1S/C10H13N3O6S.Na/c1-5(14)12-11-4-10(2)8(9(16)17)13-6(15)3-7(13)20(10,18)19;/h4,7-8H,3H2,1-2H3,(H,12,14)(H,16,17);/b11-4+;/t7-,8+,10+;/m1./s1
SMILES: COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C/C=C/I)C[C@@H]1C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H21ClINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15-,16+,17+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@]2(C(=O)OC[C@@H](O2)[C@H]([C@H]3[C@@H]([C@H](C[C@@](O3)(C(=O)OC)SC4=CC=CC=C4)OC(=O)C)NC(=O)C)OC(=O)C)O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C41H52N2O21S/c1-19(44)42-32-28(57-22(4)47)15-40(63-36(32)34(60-25(7)50)30(59-24(6)49)17-55-21(3)46)38(52)56-18-31(62-40)35(61-26(8)51)37-33(43-20(2)45)29(58-23(5)48)16-41(64-37,39(53)54-9)65-27-13-11-10-12-14-27/h10-14,28-37H,15-18H2,1-9H3,(H,42,44)(H,43,45)/t28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40+,41-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=NN=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C19H17N3O5/c23-16(10-22-18(24)13-8-4-5-9-14(13)19(22)25)26-11-15-20-21-17(27-15)12-6-2-1-3-7-12/h1-7,13-14H,8-11H2/t13-,14+
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC=CC=C6C7=CC=CC=C7)C)O)C(=O)N[C@H](C)C8=CC=CC=C8
InChI: InChI=1S/C47H56N2O4/c1-5-28-49(42(52)48-32(2)33-14-8-6-9-15-33)31-46(53)25-22-40-44(46,4)24-21-39-43(3)23-20-35(50)29-45(43)26-27-47(39,40)38(30-45)41(51)37-19-13-12-18-36(37)34-16-10-7-11-17-34/h6-19,26-27,30,32,35,39-40,50,53H,5,20-25,28-29,31H2,1-4H3,(H,48,52)/t32-,35?,39-,40-,43-,44+,45+,46-,47-/m1/s1
SMILES: CCC=CC(=O)N(CCCOC(C)C)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO
InChI: InChI=1S/C28H38N2O8/c1-5-6-8-23(33)30(10-7-12-37-17(2)3)21-15-20(28(35)29-9-11-31)24-19-13-18(16-32)14-22(36-4)26(19)38-27(24)25(21)34/h6,8,13-17,21,24-25,27,31,34H,5,7,9-12H2,1-4H3,(H,29,35)/t21-,24+,25+,27+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCCO)[C@@H](C3)O)O)C
InChI: InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h10-12,20,24-27,30-33H,5-9,13-19H2,1-4H3/b21-11?,22-12+,23-10?/t20-,24?,25+,26-,27-,29-/m1/s1
SMILES: CCS[C@@H]1[C@H]([C@@H]2[C@@H]([C@H](O1)COC(=O)C3=CC=CC=C3)O[C@]4(CCCC[C@@]4(O2)OC)OC)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H36O9S/c1-4-40-28-25(37-27(32)21-15-9-6-10-16-21)24-23(22(36-28)19-35-26(31)20-13-7-5-8-14-20)38-29(33-2)17-11-12-18-30(29,34-3)39-24/h5-10,13-16,22-25,28H,4,11-12,17-19H2,1-3H3/t22-,23-,24+,25+,28-,29+,30+/m1/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC(=C(C=C3)Cl)Cl)C(=O)C4CCC4)C(=O)NCCO
InChI: InChI=1S/C29H33Cl2IN2O7/c1-40-25-11-17(15-36)10-22(32)27(25)41-24-13-19(28(38)33-7-8-35)12-23(26(24)37)34(29(39)18-3-2-4-18)14-16-5-6-20(30)21(31)9-16/h5-6,9-11,13,18,23-24,26,35-37H,2-4,7-8,12,14-15H2,1H3,(H,33,38)/t23-,24+,26+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C(=CO1)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H19NO9/c1-10(22)27-9-16-18(30-12(3)24)17(29-11(2)23)15(8-28-16)21-19(25)13-6-4-5-7-14(13)20(21)26/h4-8,16-18H,9H2,1-3H3/t16-,17-,18-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC(=C3C)C
InChI: InChI=1S/C23H32N2O4/c1-14-7-5-9-19(16(14)3)24-21(26)13-29-23(28)18-11-22(27)25(12-18)20-10-6-8-15(2)17(20)4/h5,7,9,15,17-18,20H,6,8,10-13H2,1-4H3,(H,24,26)/t15-,17-,18+,20-/m0/s1
SMILES: C[C@@H]1[C@@H](N(C(=O)O1)C(=O)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H19NO3/c1-14-18(16-10-6-3-7-11-16)20(19(22)23-14)17(21)13-12-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3/t14-,18-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O
InChI: InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,28-,29-/m0/s1
SMILES: CC(C)(C)OC(=O)N(CCCN(C1C[C@@H]2CC=CC[C@H]2[C@@H]1COCC3=CC=CC=C3)C(=O)OC(C)(C)C)[C@@H]4C[C@@H]5CC=CC[C@H]5[C@@H]4COCC6=CC=CC=C6
InChI: InChI=1S/C47H66N2O6/c1-46(2,3)54-44(50)48(42-28-36-22-13-15-24-38(36)40(42)32-52-30-34-18-9-7-10-19-34)26-17-27-49(45(51)55-47(4,5)6)43-29-37-23-14-16-25-39(37)41(43)33-53-31-35-20-11-8-12-21-35/h7-16,18-21,36-43H,17,22-33H2,1-6H3/t36-,37-,38+,39+,40-,41-,42+,43?/m0/s1
SMILES: CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)OC(=O)CC
InChI: InChI=1S/C28H38O7/c1-6-23(32)34-15-22(31)28(35-24(33)7-2)11-9-19-18-12-16(3)20-13-17(29)8-10-26(20,4)25(18)21(30)14-27(19,28)5/h8,10,13,16,18-19,21,25,30H,6-7,9,11-12,14-15H2,1-5H3/t16-,18-,19-,21-,25+,26-,27-,28-/m0/s1
SMILES: CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C13H12Cl2N2O3S2/c1-7(18)16-13-17(9-4-2-3-8(14)12(9)15)10-5-22(19,20)6-11(10)21-13/h2-4,10-11H,5-6H2,1H3/t10-,11+/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2CN(CC[C@@H]2N)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C21H28N2O3/c1-14-7-5-6-8-16(14)17-13-23(10-9-18(17)22)15-11-19(24-2)21(26-4)20(12-15)25-3/h5-8,11-12,17-18H,9-10,13,22H2,1-4H3/t17-,18-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](O3)C=O
InChI: InChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)22-15-19-18(14-21)23-19/h4-14,18-19H,15H2,1-3H3/t18-,19-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24?,26-,29+,30-,31+/m0/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCO)OCO2)OC(=O)C3=CC=CC=C3C=CC(=O)OCC(F)(F)F
InChI: InChI=1S/C22H22F3NO8/c23-22(24,25)11-31-18(28)6-5-13-3-1-2-4-15(13)21(30)34-17-10-14(20(29)26-7-8-27)9-16-19(17)33-12-32-16/h1-6,9,16-17,19,27H,7-8,10-12H2,(H,26,29)/t16-,17-,19-/m1/s1
SMILES: CC(C)CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2CO)O)N4C)OC
InChI: InChI=1S/C18H24N2O5/c1-8(2)5-9-14(22)13-12(15(23)16(9)25-4)10(7-21)18(24)17-11(19(17)3)6-20(13)18/h8,10-11,17,21,24H,5-7H2,1-4H3/t10-,11-,17-,18+,19?/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CC[NH3+])O.CC(C(=O)[O-])O
InChI: InChI=1S/C45H61N5O15.C3H6O3/c1-19(2)13-26(48-31(53)11-12-46)43(60)47-21(5)42(59)50-27(14-20(3)4)44(61)49-25-15-32(64-22(6)37(25)54)65-29-17-45(62,30(52)18-51)16-24-34(29)41(58)36-35(39(24)56)38(55)23-9-8-10-28(63-7)33(23)40(36)57;1-2(4)3(5)6/h8-10,19-22,25-27,29,32,37,51,54,56,58,62H,11-18,46H2,1-7H3,(H,47,60)(H,48,53)(H,49,61)(H,50,59);2,4H,1H3,(H,5,6)/t21?,22-,25-,26?,27?,29-,32-,37+,45-;/m0./s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC6CC(CC(C6)(C)C)C
InChI: InChI=1S/C29H38N2O2/c1-5-29-12-8-13-30-14-11-22-21-9-6-7-10-23(21)31(25(22)26(29)30)24(18-29)27(32)33-20-15-19(2)16-28(3,4)17-20/h6-7,9-10,18-20,26H,5,8,11-17H2,1-4H3/t19?,20?,26-,29+/m1/s1
SMILES: COC1=CC(=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C21H25NO7/c1-27-13-7-8-16(18(11-13)28-2)17(23)12-29-19(24)9-10-22-20(25)14-5-3-4-6-15(14)21(22)26/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-,15-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H14F3N3O5/c19-18(20,21)17(27)13(15(25)11-4-2-1-3-5-11)14(22-16(26)23-17)10-6-8-12(9-7-10)24(28)29/h1-9,13-14,27H,(H2,22,23,26)/t13-,14-,17+/m0/s1
SMILES: CN(CC1=CC=CC=C1)C(=O)COC(=O)[C@@H]2C[C@@H]3C[C@@H]2C=C3
InChI: InChI=1S/C18H21NO3/c1-19(11-13-5-3-2-4-6-13)17(20)12-22-18(21)16-10-14-7-8-15(16)9-14/h2-8,14-16H,9-12H2,1H3/t14-,15-,16+/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H](C[C@@H](O1)COCC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3)/C)/C)C
InChI: InChI=1S/C33H44O4S/c1-26(2)13-11-14-27(3)15-12-16-28(4)21-33-30(25-38(34,35)32-19-9-6-10-20-32)22-31(37-33)24-36-23-29-17-7-5-8-18-29/h5-10,13,15,17-21,30-31,33H,11-12,14,16,22-25H2,1-4H3/b27-15+,28-21+/t30-,31-,33-/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)[C@H]2C[C@@H]2C
InChI: InChI=1S/C18H25NO5S/c1-5-23-18(22)15-12(6-10(2)3)9-25-16(15)19-14(20)8-24-17(21)13-7-11(13)4/h9-11,13H,5-8H2,1-4H3,(H,19,20)/t11-,13-/m0/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19+,20+,21+,22+,23-,25+,26-/m1/s1
SMILES: CC(=O)C1=C(C2=C(C=CC(=C2OC)OC)C3=C1[C@@H]4[C@H](O3)CC(=O)O4)O
InChI: InChI=1S/C18H16O7/c1-7(19)12-14-16(24-10-6-11(20)25-18(10)14)8-4-5-9(22-2)17(23-3)13(8)15(12)21/h4-5,10,18,21H,6H2,1-3H3/t10-,18+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@H]2O1)C(CN3C4=C(C=CC(=C4)Cl)N(C3=O)CC([C@@H]5[C@@H](C6C(O5)OC(O6)(C)C)OC)O)O)OC)C
InChI: InChI=1S/C27H37ClN2O11/c1-26(2)38-21-19(34-5)17(36-23(21)40-26)15(31)10-29-13-8-7-12(28)9-14(13)30(25(29)33)11-16(32)18-20(35-6)22-24(37-18)41-27(3,4)39-22/h7-9,15-24,31-32H,10-11H2,1-6H3/t15?,16?,17-,18-,19+,20+,21?,22-,23?,24+/m1/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F
InChI: InChI=1S/C38H39ClF3N3O5/c1-2-20-45-32(22-43-37(47)44-31-19-18-29(39)21-30(31)38(40,41)42)33(48-23-26-12-6-3-7-13-26)34(49-24-27-14-8-4-9-15-27)35(36(45)46)50-25-28-16-10-5-11-17-28/h3-19,21,32-35H,2,20,22-25H2,1H3,(H2,43,44,47)/t32-,33-,34-,35-/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H]4[C@H]([C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)OC(=O)C)CN4C(=O)C(F)(F)F)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C44H51F3N2O11/c1-22-31(60-40(55)35(53)34(26-14-10-8-11-15-26)48-39(54)27-16-12-9-13-17-27)20-29-36(57-23(2)50)33-28-21-49(41(56)44(45,46)47)30(28)18-19-43(33,7)38(59-25(4)52)37(58-24(3)51)32(22)42(29,5)6/h8-17,28-31,33-38,53H,18-21H2,1-7H3,(H,48,54)/t28-,29+,30-,31+,33+,34+,35-,36-,37-,38+,43-/m1/s1
SMILES: C1[C@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6-,8-/m1/s1
SMILES: C1=C[C@H]([C@@H]2[C@H]1[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H/t3-,4+,5-,8+,9-/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[C@H]3CCC4[C@@]3(CCC5C4CCC6[C@@]5(C=CC(=O)N6C)C)C
InChI: InChI=1S/C31H39N3O2/c1-19-17-26(22-7-5-6-8-25(22)32-19)33-28(35)18-20-9-11-23-21-10-12-27-31(3,16-14-29(36)34(27)4)24(21)13-15-30(20,23)2/h5-8,14,16-17,20-21,23-24,27H,9-13,15,18H2,1-4H3,(H,32,33,35)/t20-,21?,23?,24?,27?,30-,31-/m1/s1