EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C7=CC=CC=C67)O)C8=CC=C(C=C8)OC)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C45H37Cl2N3O6/c1-3-24-8-13-27(14-9-24)49-41(52)33-18-17-32-34(39(33)43(49)54)23-35-42(53)50(48-37-20-12-26(46)22-36(37)47)44(55)45(35,25-10-15-28(56-2)16-11-25)40(32)31-19-21-38(51)30-7-5-4-6-29(30)31/h4-17,19-22,33-35,39-40,48,51H,3,18,23H2,1-2H3/t33-,34+,35-,39-,40-,45+/m0/s1
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2/t11-,14-,17+,19-,21?/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O2)/C=C/C=C/C(=N\OCC(=O)N3CCOCC3)/CC4=C(C(=CC(=C4Cl)O)O)C(=O)O1
InChI: InChI=1S/C24H27ClN2O8/c1-14-10-20-19(35-20)5-3-2-4-15(26-33-13-21(30)27-6-8-32-9-7-27)11-16-22(24(31)34-14)17(28)12-18(29)23(16)25/h2-5,12,14,19-20,28-29H,6-11,13H2,1H3/b4-2+,5-3+,26-15+/t14-,19-,20-/m1/s1
SMILES: C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C1=C(C(=CC(=C1O)S(=O)(=O)O)S(=O)(=O)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
InChI: InChI=1S/C15H22N6O5S.C6H6O8S2.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1-2,7-8H,(H,9,10,11)(H,12,13,14);2*(H2,1,2,3,4)/p-3/t7-,8+,10+,11+,14+,27?;;;/m0.../s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO[32P](=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1/i29+1
SMILES: C[C@]12CC[C@@H]([C@@H]([C@@H]1CC[C@]34[C@@H]2CC[C@@](C3=O)(C(CC4)C5=CC(=O)OC5)C)O)O
InChI: InChI=1S/C23H32O5/c1-21-7-5-16(24)19(26)15(21)4-10-23-9-3-14(13-11-18(25)28-12-13)22(2,20(23)27)8-6-17(21)23/h11,14-17,19,24,26H,3-10,12H2,1-2H3/t14?,15-,16-,17+,19+,21-,22+,23+/m0/s1
SMILES: CN1CC[C@@H]2[C@@H](C1)CC[C@@H]3[C@H]2CCC4=C3C=C(C=C4)Cl
InChI: InChI=1S/C18H24ClN/c1-20-9-8-15-13(11-20)4-7-17-16(15)6-3-12-2-5-14(19)10-18(12)17/h2,5,10,13,15-17H,3-4,6-9,11H2,1H3/t13-,15-,16+,17-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(C(=O)OC)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C22H30O6/c1-20-8-6-13(23)10-12(20)4-5-14-15-7-9-22(27,18(25)19(26)28-3)21(15,2)11-16(24)17(14)20/h6,8,10,14-18,24-25,27H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18?,20-,21-,22-/m0/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCCCO)OCCCO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C29H40O8/c1-2-17-34-29-28(36-21-24-13-7-4-8-14-24)27(35-20-23-11-5-3-6-12-23)26(33-19-10-16-31)25(37-29)22-32-18-9-15-30/h2-8,11-14,25-31H,1,9-10,15-22H2/t25-,26-,27+,28-,29-/m1/s1
SMILES: CCCOC1=CC=CC=C1[C@H]2[C@@H]3C(=O)CC(C=C3NC4=NC=NN24)(C)C
InChI: InChI=1S/C20H24N4O2/c1-4-9-26-16-8-6-5-7-13(16)18-17-14(10-20(2,3)11-15(17)25)23-19-21-12-22-24(18)19/h5-8,10,12,17-18H,4,9,11H2,1-3H3,(H,21,22,23)/t17-,18-/m0/s1
SMILES: CC(=C[C@H]1[C@]2(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5NC2=O)C
InChI: InChI=1S/C21H23N3O3/c1-12(2)10-17-21(13-6-3-4-7-14(13)22-20(21)27)11-16-18(25)23-9-5-8-15(23)19(26)24(16)17/h3-4,6-7,10,15-17H,5,8-9,11H2,1-2H3,(H,22,27)/t15-,16-,17-,21-/m0/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)C(=C(C(=O)[C@]6([C@H]5C7=C(C8=CC=CC=C8C=C7)O)Cl)Cl)Cl)Cl)OC)OC
InChI: InChI=1S/C37H29Cl4N5O8/c1-43-23-15-26(54-3)25(53-2)14-22(23)42-21(33(43)50)11-12-44-34(51)45-13-10-19-24(46(45)35(44)52)16-36(40)31(48)28(38)29(39)32(49)37(36,41)27(19)20-9-8-17-6-4-5-7-18(17)30(20)47/h4-10,14-15,24,27,47H,11-13,16H2,1-3H3/t24-,27-,36-,37+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)N7N1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C36H26BrClFN5O5/c37-21-8-15-30(45)27(18-21)31-26-16-17-41-34(48)42(25-4-2-1-3-5-25)35(49)44(41)29(26)19-28-32(46)43(40-24-13-11-23(39)12-14-24)33(47)36(28,31)20-6-9-22(38)10-7-20/h1-16,18,28-29,31,40,45H,17,19H2/t28-,29+,31+,36+/m0/s1
SMILES: C[C@@H]1CC[C@@]23[C@@H](O2)CO[C@]34[C@H]1[C@@H](C(C4)(C)C)O
InChI: InChI=1S/C14H22O3/c1-8-4-5-13-9(17-13)6-16-14(13)7-12(2,3)11(15)10(8)14/h8-11,15H,4-7H2,1-3H3/t8-,9+,10-,11+,13+,14-/m1/s1
SMILES: COC(=O)C1CCNC(=O)/C=C\C[C@H]2CCC[C@@H]2/C=C/C(=O)CC(=O)N1
InChI: InChI=1S/C19H26N2O5/c1-26-19(25)16-10-11-20-17(23)7-3-6-13-4-2-5-14(13)8-9-15(22)12-18(24)21-16/h3,7-9,13-14,16H,2,4-6,10-12H2,1H3,(H,20,23)(H,21,24)/b7-3-,9-8+/t13-,14-,16?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](C(=O)O2)O)OC4(O3)CCCCC4
InChI: InChI=1S/C19H24O8S/c1-12-5-7-13(8-6-12)28(22,23)24-11-14-16-17(15(20)18(21)25-14)27-19(26-16)9-3-2-4-10-19/h5-8,14-17,20H,2-4,9-11H2,1H3/t14-,15+,16-,17+/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)C=CBr
InChI: InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/t6-,7-,8+,10-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC(=C3N)C(=O)N[N+](=O)[O-])OC(O2)(C)C
InChI: InChI=1S/C14H19N5O8/c1-6(20)24-4-7-9-10(27-14(2,3)26-9)13(25-7)18-5-16-8(11(18)15)12(21)17-19(22)23/h5,7,9-10,13H,4,15H2,1-3H3,(H,17,21)/t7-,9-,10-,13-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)N[C@]2(CC[C@H]3[C@@H]2C3)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O/c1-15(16-8-4-2-5-9-16)22-20(24)23-21(13-12-17-14-19(17)21)18-10-6-3-7-11-18/h2-11,15,17,19H,12-14H2,1H3,(H2,22,23,24)/t15-,17+,19-,21+/m0/s1
SMILES: C1[C@H]([C@H]([C@H]2N1C[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C43H45NO5/c1-6-16-33(17-7-1)28-45-38-26-44-27-39(46-29-34-18-8-2-9-19-34)42(48-31-36-22-12-4-13-23-36)43(49-32-37-24-14-5-15-25-37)40(44)41(38)47-30-35-20-10-3-11-21-35/h1-25,38-43H,26-32H2/t38-,39+,40-,41-,42-,43-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]2[C@@]([C@H]3[C@H]([C@@]1([C@@H]([C@](O3)(O2)OC(=O)C4=CC=CC=C4)OC(=O)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](CO)O)(COC(=O)C5=CC=CC=C5)OC(=O)C
InChI: InChI=1S/C42H51N3O18/c1-22(47)56-31-30-40(58-24(3)49,21-55-32(51)25-16-12-10-13-17-25)29-28(27(50)20-46)41(31,45-35(43-36(53)62-38(4,5)6)44-37(54)63-39(7,8)9)34(57-23(2)48)42(59-29,60-30)61-33(52)26-18-14-11-15-19-26/h10-19,27-31,34,46,50H,20-21H2,1-9H3,(H2,43,44,45,53,54)/t27-,28-,29-,30+,31-,34+,40+,41-,42+/m1/s1
SMILES: CCOCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)C3=CC4=C(O3)C(=CC=C4)OC
InChI: InChI=1S/C32H39IN2O10/c1-4-43-12-6-10-35(32(40)27-16-20-7-5-8-24(41-2)29(20)45-27)23-15-21(31(39)34-9-11-36)17-25(28(23)38)44-30-22(33)13-19(18-37)14-26(30)42-3/h5,7-8,13-14,16-17,23,25,28,36-38H,4,6,9-12,15,18H2,1-3H3,(H,34,39)/t23-,25+,28+/m1/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)O)C5=CC(=CC=C5)O
InChI: InChI=1S/C23H19NO6/c1-10-7-17(26)16-9-15-13(5-6-14-19(15)23(29)24(30)22(14)28)18(20(16)21(10)27)11-3-2-4-12(25)8-11/h2-5,7-8,14-15,18-19,25,30H,6,9H2,1H3/t14-,15+,18-,19-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C2=CC=C(C=C2)O[Si](C)(C)C(C)(C)C)O)C(C)C
InChI: InChI=1S/C24H40O4Si/c1-16(2)20-14-9-17(3)15-21(20)27-23(26)22(25)18-10-12-19(13-11-18)28-29(7,8)24(4,5)6/h10-13,16-17,20-22,25H,9,14-15H2,1-8H3/t17-,20+,21-,22-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@]([C@@H]1C2=CC=CC=C2)(C#CC3=C(C=CC(=C3)OC(F)(F)F)OC4CC4)O
InChI: InChI=1S/C28H30F3NO5/c1-26(2,3)37-25(33)32-17-7-15-27(34,24(32)19-8-5-4-6-9-19)16-14-20-18-22(36-28(29,30)31)12-13-23(20)35-21-10-11-21/h4-6,8-9,12-13,18,21,24,34H,7,10-11,15,17H2,1-3H3/t24-,27+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)N3C=C(N=N3)C(=O)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI: InChI=1S/C23H42N4O8SSi2/c1-21(2,3)37(8,9)32-13-17-23(16(24)14-36(29,30)35-23)18(34-38(10,11)22(4,5)6)19(33-17)27-12-15(25-26-27)20(28)31-7/h12,14,17-19H,13,24H2,1-11H3/t17-,18+,19-,23-/m1/s1
SMILES: C[C@H]1[C@@H](C2=CC(=C(C(=C2C=C1C)OC)O)OC)C3=CC(=C(C(=C3)OC)O)OC
InChI: InChI=1S/C22H26O6/c1-11-7-15-14(10-18(27-5)21(24)22(15)28-6)19(12(11)2)13-8-16(25-3)20(23)17(9-13)26-4/h7-10,12,19,23-24H,1-6H3/t12-,19-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H]([C@@H]([C@H]2C/C=C\CCCC(=O)OC)/C=C/[C@H](C(C)CC=C(C)C)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C40H60O9S/c1-29(2)18-21-31(4)35(47-39-16-10-12-26-45-39)25-24-34-33(14-8-6-7-9-15-38(41)44-5)37(28-36(34)48-40-17-11-13-27-46-40)49-50(42,43)32-22-19-30(3)20-23-32/h6,8,18-20,22-25,31,33-37,39-40H,7,9-17,21,26-28H2,1-5H3/b8-6-,25-24+/t31?,33-,34-,35-,36-,37+,39?,40?/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3
InChI: InChI=1S/C23H27NO4/c1-17-7-5-6-10-21(17)24-22(25)16-28-23(26)19-13-11-18(12-14-19)15-27-20-8-3-2-4-9-20/h2-4,8-9,11-14,17,21H,5-7,10,15-16H2,1H3,(H,24,25)/t17-,21+/m0/s1
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@H]3CCC[C@@H]3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl
InChI: InChI=1S/C22H24ClN5O2S/c1-28-8-7-17-19(11-28)31-22(27-17)21(30)26-16-4-2-3-15(16)25-20(29)18-10-12-9-13(23)5-6-14(12)24-18/h5-6,9-10,15-16,24H,2-4,7-8,11H2,1H3,(H,25,29)(H,26,30)/t15-,16-/m0/s1
SMILES: C[C@H]1CCC=C2[C@]1([C@H]([C@H]3[C@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC=CC=C5C)O)C
InChI: InChI=1S/C26H36N2O3/c1-17-7-4-5-10-21(17)28-13-11-27(12-14-28)16-20-23-22(31-25(20)30)15-19-9-6-8-18(2)26(19,3)24(23)29/h4-5,7,9-10,18,20,22-24,29H,6,8,11-16H2,1-3H3/p+1/t18-,20-,22-,23+,24-,26-/m0/s1
SMILES: C1=CN(C2=NC(=NC(=C21)NO)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI: InChI=1S/C11H14FN5O4/c12-6-7(19)5(3-18)21-10(6)17-2-1-4-8(16-20)14-11(13)15-9(4)17/h1-2,5-7,10,18-20H,3H2,(H3,13,14,15,16)/t5-,6+,7-,10-/m1/s1
SMILES: CC(=C1CC[C@@]2([C@H]3CC[C@@]4([C@@H]5CC(CC(=C=C)[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)(C)C)F)C)C
InChI: InChI=1S/C35H55F/c1-12-24-21-29(4,5)22-28-31(24,8)19-20-34(11)33(10)17-14-26-30(6,7)25(23(2)3)13-16-32(26,9)27(33)15-18-35(28,34)36/h26-28H,1,13-22H2,2-11H3/t26-,27+,28+,31-,32-,33+,34-,35-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](N2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H19N/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(21)19-10-6-3-7-11-19/h2-15,20-21H,1H3/t20-,21+,22?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)C(=O)OCC(C)(C)C)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C24H34O4/c1-23(2,3)13-28-22(27)19-12-20-18-7-5-14-11-15(25)6-8-16(14)17(18)9-10-24(20,4)21(19)26/h6,8,11,17-21,25-26H,5,7,9-10,12-13H2,1-4H3/t17-,18-,19-,20+,21+,24+/m1/s1
SMILES: CC[Si](CC)(CC)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CI)O)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChI: InChI=1S/C31H69IO6Si4/c1-13-39(14-2,15-3)34-25-27-28(36-40(16-4,17-5)18-6)29(37-41(19-7,20-8)21-9)30(31(33,26-32)35-27)38-42(22-10,23-11)24-12/h27-30,33H,13-26H2,1-12H3/t27-,28-,29+,30-,31+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C)C
InChI: InChI=1S/C46H60O/c1-33(2)16-15-17-34(3)41-26-27-42-40-25-24-38-32-39(28-30-44(38,4)43(40)29-31-45(41,42)5)47-46(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-14,18-24,33-34,39-43H,15-17,25-32H2,1-5H3/t34-,39+,40+,41-,42+,43+,44+,45-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=C[C@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)O)C)N(C1)CCOCCOCC7=CC=CC=C7
InChI: InChI=1S/C39H57NO4/c1-26-20-36-37(40(24-26)16-17-42-18-19-43-25-29-8-6-5-7-9-29)28(3)39(44-36)15-13-32-33-11-10-30-21-31(41)12-14-38(30,4)35(33)22-34(32)27(2)23-39/h5-9,21,26,28,31-33,35-37,41H,10-20,22-25H2,1-4H3/t26-,28+,31-,32-,33-,35-,36+,37-,38-,39-/m0/s1
SMILES: CCCCCC(=O)N[C@@H](C=C(C)C)[C@H](C(=O)O[C@H]1[C@H]2[C@]3([C@H](C4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C3(C)C)OC(=O)N(C)C)C)OC(=O)C6=CC=CC=C6)OC(=O)O2)O
InChI: InChI=1S/C46H60N2O16/c1-11-12-14-19-30(51)47-27(20-23(2)3)32(52)40(55)59-33-24(4)31-34(60-41(56)48(9)10)36(53)44(8)28(50)21-29-45(22-58-29,63-25(5)49)35(44)38(61-39(54)26-17-15-13-16-18-26)46(43(31,6)7)37(33)62-42(57)64-46/h13,15-18,20,27-29,32-35,37-38,50,52H,11-12,14,19,21-22H2,1-10H3,(H,47,51)/t27-,28-,29+,32+,33+,34+,35?,37-,38-,44+,45-,46+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NCC3=NC(=NO3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H19ClN4O4/c21-13-7-5-12(6-8-13)18-23-17(29-24-18)11-22-16(26)9-10-25-19(27)14-3-1-2-4-15(14)20(25)28/h1-2,5-8,14-15H,3-4,9-11H2,(H,22,26)/t14-,15+
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@@H](C34C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6F)C(=O)C7=CC=CC=C7F
InChI: InChI=1S/C33H21F2NO3/c34-24-14-6-4-12-22(24)28-29(30(37)23-13-5-7-15-25(23)35)36-26-16-8-1-9-19(26)17-18-27(36)33(28)31(38)20-10-2-3-11-21(20)32(33)39/h1-18,27-29H/t27-,28+,29+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@H]([C@@H]1CC=C)CCCC2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C23H33NO4/c1-6-11-19-18(15-10-14-17-12-8-7-9-13-17)16-20(21(25)27-5)24(19)22(26)28-23(2,3)4/h6-9,12-13,18-20H,1,10-11,14-16H2,2-5H3/t18-,19+,20+/m1/s1
SMILES: C[C@@H]1CCC2=C([C@@]1(C)CC(=O)C3=COC=C3)C[C@H]4C[C@@]2(C(=O)O4)C
InChI: InChI=1S/C20H24O4/c1-12-4-5-15-16(8-14-9-20(15,3)18(22)24-14)19(12,2)10-17(21)13-6-7-23-11-13/h6-7,11-12,14H,4-5,8-10H2,1-3H3/t12-,14+,19+,20+/m1/s1
SMILES: CCN(CC)CC1(C(=O)C2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4C(=O)C)OC)COC(=O)N)C(=O)C15OCCO5)SC6=CC=C(C=C6)OC
InChI: InChI=1S/C30H38N4O9S/c1-6-32(7-2)16-28(44-19-10-8-18(39-4)9-11-19)26(37)23-22(25(36)30(28)42-12-13-43-30)20(15-41-27(31)38)29(40-5)24-21(14-33(23)29)34(24)17(3)35/h8-11,20-21,24H,6-7,12-16H2,1-5H3,(H2,31,38)/t20-,21+,24+,28?,29-,34?/m1/s1
SMILES: C/C(=C\C[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)OC)C)/C=C
InChI: InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20+,21-/m0/s1
SMILES: C[C@H]([C@@H](CCCCCCCCCCCCCCC(=O)CCCCCCC[C@H]([C@H](CO)N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)N
InChI: InChI=1S/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25-,27+,28-,29-,30-,31-,32+,33-,34-/m1/s1
SMILES: C1CCC(CC1)CCCC(=O)NCC(=O)NCC2C3CCC(C2C/C=C\CCCC(=O)NNC(=O)CCCCC4[C@@H]5[C@H](CS4)NC(=O)N5)O3
InChI: InChI=1S/C36H58N6O6S/c43-31(18-10-13-24-11-4-3-5-12-24)38-22-34(46)37-21-26-25(28-19-20-29(26)48-28)14-6-1-2-7-16-32(44)41-42-33(45)17-9-8-15-30-35-27(23-49-30)39-36(47)40-35/h1,6,24-30,35H,2-5,7-23H2,(H,37,46)(H,38,43)(H,41,44)(H,42,45)(H2,39,40,47)/b6-1-/t25?,26?,27-,28?,29?,30?,35-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=C(C=CC=C3F)F
InChI: InChI=1S/C19H21F2N3O5/c1-11-5-2-3-8-19(11)17(27)24(18(28)23-19)9-15(26)29-10-14(25)22-16-12(20)6-4-7-13(16)21/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,22,25)(H,23,28)/t11-,19-/m1/s1
SMILES: COC1=C(C=C2[C@@H](O[C@H]3CCCC[C@H]3C2=C1)C4=CC(=CC=C4)Br)OC
InChI: InChI=1S/C21H23BrO3/c1-23-19-11-16-15-8-3-4-9-18(15)25-21(17(16)12-20(19)24-2)13-6-5-7-14(22)10-13/h5-7,10-12,15,18,21H,3-4,8-9H2,1-2H3/t15-,18-,21-/m0/s1
SMILES: C/C(=C\C=C\C(=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H]([C@]3(C)C(=O)O)OC(=O)C)C)C)\C)/C=C/C(C(C)(C)O)OC
InChI: InChI=1S/C33H48O7/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37)/b12-10+,14-13+,20-11+,28-21+/t24-,25+,26?,27-,31+,32+,33-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]3[C@H](C2=O)[C@@H]([C@H]([C@@]34C(=O)N(C(=O)N4CC5=CC=CC=C5)CC6=CC=CC=C6)Cl)COS(=O)(=O)C7=CC=C(C=C7)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C48H58ClN3O9S2Si/c1-31(2)64(32(3)4,33(5)6)61-30-41-43-42(45(53)52(41)62(56,57)38-23-19-34(7)20-24-38)40(29-60-63(58,59)39-25-21-35(8)22-26-39)44(49)48(43)46(54)50(27-36-15-11-9-12-16-36)47(55)51(48)28-37-17-13-10-14-18-37/h9-26,31-33,40-44H,27-30H2,1-8H3/t40-,41+,42+,43+,44+,48+/m0/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)CCl)C)COC(=O)C
InChI: InChI=1S/C19H25ClO7/c1-10-4-5-18(8-24-11(2)21)12(6-10)26-16-14(23)15(27-13(22)7-20)17(18,3)19(16)9-25-19/h6,12,14-16,23H,4-5,7-9H2,1-3H3/t12-,14-,15-,16-,17-,18-,19+/m1/s1
SMILES: C1C[C@@H]([C@H](C[C@H]1N2CCN3C(=NN=C3C(F)(F)F)C2)N)C4=C(C=CC(=C4)F)F
InChI: InChI=1S/C18H20F5N5/c19-10-1-4-14(20)13(7-10)12-3-2-11(8-15(12)24)27-5-6-28-16(9-27)25-26-17(28)18(21,22)23/h1,4,7,11-12,15H,2-3,5-6,8-9,24H2/t11-,12+,15-/m0/s1
SMILES: C[N+]1([C@H]2COC(O[C@H]2[C@H]3[C@@H]1COC(O3)C4=CC=CC=C4)C5=CC=CC=C5)CCO.[I-]
InChI: InChI=1S/C23H28NO5.HI/c1-24(12-13-25)18-14-26-22(16-8-4-2-5-9-16)28-20(18)21-19(24)15-27-23(29-21)17-10-6-3-7-11-17;/h2-11,18-23,25H,12-15H2,1H3;1H/q+1;/p-1/t18-,19-,20+,21+,22?,23?,24?;/m0./s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)N3CCNC3=O
InChI: InChI=1S/C17H24N4O6/c1-10-5-3-4-6-17(10)14(24)21(16(26)19-17)9-12(22)27-11(2)13(23)20-8-7-18-15(20)25/h10-11H,3-9H2,1-2H3,(H,18,25)(H,19,26)/t10-,11-,17-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC=C3)C(=O)NC(C)C)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C40H50N2O4/c1-28(2)41-38(45)42(26-30-13-7-5-8-14-30)27-40(46)23-21-36-34-20-18-31(25-35(34)37(44)32-15-9-6-10-16-32)24-33(43)19-17-29(3)12-11-22-39(36,40)4/h5-10,12-16,18,20,25,28,33,36,43,46H,11,17,19,21-24,26-27H2,1-4H3,(H,41,45)/t33-,36-,39-,40+/m0/s1
SMILES: CN(C)C(=O)C=CC1=CC=CC=C1C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OCO3)C(=O)NCCC(=O)NCCO
InChI: InChI=1S/C25H31N3O8/c1-28(2)22(31)8-7-16-5-3-4-6-18(16)25(33)36-20-14-17(13-19-23(20)35-15-34-19)24(32)27-10-9-21(30)26-11-12-29/h3-8,13,19-20,23,29H,9-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t19-,20-,23-/m1/s1
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)S(=O)(=O)N(C)C
InChI: InChI=1S/C22H29ClN8O5S2/c1-29(2)38(35,36)31-9-7-14(25-19(32)20(33)28-18-5-4-13(23)10-24-18)16(11-31)26-21(34)22-27-15-6-8-30(3)12-17(15)37-22/h4-5,10,14,16H,6-9,11-12H2,1-3H3,(H,25,32)(H,26,34)(H,24,28,33)/t14-,16+/m0/s1
SMILES: CC1=C(OC2=C[C@@H]3[C@@H](C=C[C@H]4C3(C=CC=C4C(=O)OC)C)C=C12)C
InChI: InChI=1S/C21H22O3/c1-12-13(2)24-19-11-18-14(10-16(12)19)7-8-17-15(20(22)23-4)6-5-9-21(17,18)3/h5-11,14,17-18H,1-4H3/t14-,17+,18+,21?/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)CNC3=CC=CC=C3OC
InChI: InChI=1S/C18H21N3O3/c1-12-9-14(12)16-8-7-13(24-16)10-20-21-18(22)11-19-15-5-3-4-6-17(15)23-2/h3-8,10,12,14,19H,9,11H2,1-2H3,(H,21,22)/b20-10-/t12-,14+/m1/s1
SMILES: C1C[NH+](C[C@@H]([C@H]1[NH2+]CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H28N2/c1-4-10-21(11-5-1)18-26-25-16-17-27(19-22-12-6-2-7-13-22)20-24(25)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/p+2/t24-,25+/m1/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@]2(CCC4=CC=C(C=C4)C(C)(C)C)O)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C30H35FN2O/c1-28(2,3)23-9-7-21(8-10-23)15-17-30(34)16-5-6-24-18-27-22(19-29(24,30)4)20-32-33(27)26-13-11-25(31)12-14-26/h7-14,18,20,34H,5-6,15-17,19H2,1-4H3/t29-,30+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](COC(=O)NCC3=CC=CC=C3)C(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)N)C
InChI: InChI=1S/C36H54N6O7/c1-34(2,3)24(19-49-33(48)38-17-21-12-10-9-11-13-21)40-32(47)41-28(35(4,5)6)31(46)42-18-22-25(36(22,7)8)26(42)30(45)39-23(16-20-14-15-20)27(43)29(37)44/h9-13,20,22-26,28H,14-19H2,1-8H3,(H2,37,44)(H,38,48)(H,39,45)(H2,40,41,47)/t22-,23?,24+,25-,26-,28+/m0/s1
SMILES: CC(C)OC(=O)C(=O)C[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H42O8Si/c1-14(2)27-20(25)15(24)12-16-18(30-23(8,9)28-16)19(17-13-26-22(6,7)29-17)31-32(10,11)21(3,4)5/h14,16-19H,12-13H2,1-11H3/t16-,17-,18-,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)OC)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C28H37N3O4S/c1-7-14-31(5)26(34)16(2)20-12-13-28(4)15-21-23(17(3)22(28)24(20)32)29-27(36-21)30-25(33)18-8-10-19(35-6)11-9-18/h7-11,16-17,20,22,24,32H,1,12-15H2,2-6H3,(H,29,30,33)/t16-,17-,20+,22+,24-,28+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC(=O)NC3CCCC3
InChI: InChI=1S/C21H33N3O5/c1-13-6-5-9-17(14(13)2)24-11-15(10-19(24)26)20(27)29-12-18(25)23-21(28)22-16-7-3-4-8-16/h13-17H,3-12H2,1-2H3,(H2,22,23,25,28)/t13-,14-,15-,17-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)CC8=CC=CS8)O
InChI: InChI=1S/C39H33ClN2O6S/c1-2-48-32-18-22(13-16-31(32)43)34-27-14-15-28-33(37(46)41(35(28)44)21-26-12-7-17-49-26)29(27)20-30-36(45)42(25-11-6-10-24(40)19-25)38(47)39(30,34)23-8-4-3-5-9-23/h3-14,16-19,28-30,33-34,43H,2,15,20-21H2,1H3/t28-,29+,30-,33-,34-,39+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC(=C(C=C5)F)Br
InChI: InChI=1S/C23H15BrClFN2O3/c24-17-11-13(9-10-18(17)26)20-19-21(31-28(20)15-6-2-1-3-7-15)23(30)27(22(19)29)16-8-4-5-14(25)12-16/h1-12,19-21H/t19-,20-,21+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Cl
InChI: InChI=1S/C39H28Cl3FN2O6/c40-22-6-10-24(11-7-22)44-34(47)29-17-16-27-30(32(29)35(44)48)19-38(41)36(49)45(25-12-8-23(43)9-13-25)37(50)39(38,42)33(27)28-15-14-26(18-31(28)46)51-20-21-4-2-1-3-5-21/h1-16,18,29-30,32-33,46H,17,19-20H2/t29-,30+,32-,33+,38+,39-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H52ClN4O4Si3.3C4H9.Sn/c1-26(2,3)38(10,11)34-16-19-21(36-39(12,13)27(4,5)6)22(37-40(14,15)28(7,8)9)25(35-19)33-18-32-20-23(29)30-17-31-24(20)33;3*1-3-4-2;/h18-19,21-22,25H,16H2,1-15H3;3*1,3-4H2,2H3;/t19-,21-,22-,25-;;;;/m1..../s1
SMILES: CCS(=O)C1=CC(=C(C=C1)OC)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3
InChI: InChI=1S/C20H30N2O3S/c1-3-26(24)16-9-10-19(25-2)17(13-16)20(23)21-14-15-7-6-12-22-11-5-4-8-18(15)22/h9-10,13,15,18H,3-8,11-12,14H2,1-2H3,(H,21,23)/t15-,18+,26?/m0/s1
SMILES: COC(=O)[C@@]1(CCCC[C@@H]1C[Se]C2=CC=CC=C2)CC#CC3=CC=CC=C3
InChI: InChI=1S/C24H26O2Se/c1-26-23(25)24(18-10-13-20-11-4-2-5-12-20)17-9-8-14-21(24)19-27-22-15-6-3-7-16-22/h2-7,11-12,15-16,21H,8-9,14,17-19H2,1H3/t21-,24+/m1/s1
SMILES: C[C@H]1CCC2[C@]3(CC[C@H]([C@]4([C@H]3C(=C[C@@]2(C1)O4)C(=O)OC)O)C(C)C)C
InChI: InChI=1S/C21H32O4/c1-12(2)15-8-9-19(4)16-7-6-13(3)10-20(16)11-14(18(22)24-5)17(19)21(15,23)25-20/h11-13,15-17,23H,6-10H2,1-5H3/t13-,15-,16?,17-,19+,20+,21-/m0/s1
SMILES: COC(=O)[C@@]1(C[C@@H]1CNCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5
InChI: InChI=1S/C23H31NO2/c1-26-21(25)23(19-5-3-2-4-6-19)13-20(23)14-24-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h2-6,16-18,20,24H,7-15H2,1H3/t16?,17?,18?,20-,22?,23+/m1/s1
SMILES: COC1=C(C=C(C=C1)NC[C@@]2([C@H]([C@@H]([C@@H](CO2)O)O)O)O)OC
InChI: InChI=1S/C14H21NO7/c1-20-10-4-3-8(5-11(10)21-2)15-7-14(19)13(18)12(17)9(16)6-22-14/h3-5,9,12-13,15-19H,6-7H2,1-2H3/t9-,12-,13+,14-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OC)C)C(C)C
InChI: InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3/t20-,21-,23+,24-,25+,26+,27-,28+,29+,30-/m1/s1
SMILES: CCC1=C(C=CC(=C1)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)Cl
InChI: InChI=1S/C19H22ClNO4/c1-2-12-11-13(7-8-16(12)20)25-17(22)9-10-21-18(23)14-5-3-4-6-15(14)19(21)24/h7-8,11,14-15H,2-6,9-10H2,1H3/t14-,15-/m1/s1
SMILES: C1CCC(CC1)NC(=O)[C@H]2[C@]34C=C[C@H](O3)[C@H]([C@@H]4C(=O)N2C5CCCC5)C(=O)NC6CC6
InChI: InChI=1S/C24H33N3O4/c28-21(25-15-10-11-15)18-17-12-13-24(31-17)19(18)23(30)27(16-8-4-5-9-16)20(24)22(29)26-14-6-2-1-3-7-14/h12-20H,1-11H2,(H,25,28)(H,26,29)/t17-,18+,19+,20-,24+/m0/s1
SMILES: CC(C)(C)ON=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)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)SCCC7=NC=CN=C7
InChI: InChI=1S/C49H59N3O6S/c1-5-28-55-49-45(59-29-23-37-33-50-24-25-51-37)32-43(52-58-48(2,3)4)41-30-36(15-9-11-26-53)40(16-10-12-27-54)46(47(41)49)42-31-39(21-22-44(42)57-49)56-38-19-17-35(18-20-38)34-13-7-6-8-14-34/h5-8,13-14,17-22,24-25,30-31,33,36,40,45-47,53-54H,1,9-12,15-16,23,26-29,32H2,2-4H3/t36-,40+,45-,46+,47+,49+/m0/s1
SMILES: CC(C)[C@@H](CN(C)S(=O)(=O)C1=CC=CC=C1)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)NCC=C)C3(C)C)C(C)(C)C
InChI: InChI=1S/C37H56N6O7S/c1-10-18-38-33(46)30(44)26(19-23-16-17-23)39-32(45)29-28-25(37(28,7)8)20-43(29)34(47)31(36(4,5)6)41-35(48)40-27(22(2)3)21-42(9)51(49,50)24-14-12-11-13-15-24/h10-15,22-23,25-29,31H,1,16-21H2,2-9H3,(H,38,46)(H,39,45)(H2,40,41,48)/t25-,26?,27+,28-,29-,31+/m0/s1