EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C3C2OC4(O3)CCCCC4)(C(=O)OC)N=[N+]=[N-]
InChI: InChI=1S/C16H21N3O6/c1-22-13(20)9-8-10(9)16(18-19-17,14(21)23-2)12-11(8)24-15(25-12)6-4-3-5-7-15/h8-12H,3-7H2,1-2H3/t8-,9-,10-,11?,12?,16+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl
InChI: InChI=1S/C18H19Cl2N3O4/c1-9-4-2-3-5-14(9)21-18(27)22-15(24)8-23-16(25)10-6-12(19)13(20)7-11(10)17(23)26/h6-7,9,14H,2-5,8H2,1H3,(H2,21,22,24,27)/t9-,14+/m0/s1
SMILES: CC1=C2CN([C@@H]3CNC[C@H]3C2=CC=C1)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H20N2O/c1-13-6-5-9-15-16-10-20-11-18(16)21(12-17(13)15)19(22)14-7-3-2-4-8-14/h2-9,16,18,20H,10-12H2,1H3/t16-,18+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@](CCC[C@@]2([C@@]13CC[C@](O3)(CCO)CO)C)(C)CO
InChI: InChI=1S/C20H36O4/c1-15-5-6-16-17(2,13-22)7-4-8-18(16,3)20(15)10-9-19(14-23,24-20)11-12-21/h15-16,21-23H,4-14H2,1-3H3/t15-,16-,17+,18+,19+,20-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)CSC3=NN=C(O3)COC4=CC=CC=C4
InChI: InChI=1S/C18H21N3O3S/c22-16(19-15-9-12-6-7-13(15)8-12)11-25-18-21-20-17(24-18)10-23-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,19,22)/t12-,13+,15-/m0/s1
SMILES: CC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC5(C[C@@]4(CCC23)O)OCCO5)C6=CC=C(C=C6)N(C)C)C)OC(=O)C
InChI: InChI=1S/C32H43NO6/c1-20(34)32(39-21(2)35)15-12-26-24-10-13-30(36)19-31(37-16-17-38-31)14-11-27(30)28(24)25(18-29(26,32)3)22-6-8-23(9-7-22)33(4)5/h6-9,24-26,36H,10-19H2,1-5H3/t24?,25-,26?,29+,30-,32+/m1/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)OC)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H22N2O5/c1-22(21(27)29-3)17-16(18(23-22)13-9-11-15(28-2)12-10-13)19(25)24(20(17)26)14-7-5-4-6-8-14/h4-12,16-18,23H,1-3H3/p+1/t16-,17+,18-,22-/m0/s1
SMILES: C[C@@H]1[C@H]2C3=CCC4[C@]5(CC[C@@H](C([C@@H]5C[C@H]([C@]4([C@@]3(CC[C@]2(CC[C@]1(C)OC(=O)C)C(=O)O)C)C)O)(C)C)O)C
InChI: InChI=1S/C32H50O6/c1-18-25-20-9-10-21-28(5)12-11-23(34)27(3,4)22(28)17-24(35)31(21,8)29(20,6)13-15-32(25,26(36)37)16-14-30(18,7)38-19(2)33/h9,18,21-25,34-35H,10-17H2,1-8H3,(H,36,37)/t18-,21?,22+,23+,24-,25+,28-,29-,30+,31+,32-/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(CCC(C4)NCCNC(=O)/C=C/C5=CC=C(C=C5)O)C)C
InChI: InChI=1S/C38H58N2O2/c1-26(2)7-6-8-27(3)33-16-17-34-32-15-12-29-25-30(19-21-37(29,4)35(32)20-22-38(33,34)5)39-23-24-40-36(42)18-11-28-9-13-31(41)14-10-28/h9-14,18,26-27,30,32-35,39,41H,6-8,15-17,19-25H2,1-5H3,(H,40,42)/b18-11+/t27-,30?,32+,33-,34+,35+,37+,38-/m1/s1
SMILES: C[C@]12C=CC[C@H]1[C@@H]3[C@@H]([C@H]2C=C3C(=O)OC)O
InChI: InChI=1S/C13H16O3/c1-13-5-3-4-8(13)10-7(12(15)16-2)6-9(13)11(10)14/h3,5-6,8-11,14H,4H2,1-2H3/t8-,9+,10+,11+,13-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C23H33N3O2/c1-18(27)19-6-8-22(9-7-19)25-14-12-24(13-15-25)17-23(28)26-11-10-20-4-2-3-5-21(20)16-26/h6-9,20-21H,2-5,10-17H2,1H3/t20-,21-/m1/s1
SMILES: C[C@H]1C[C@H](OC(=O)[C@@H]1C)COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C22H27O6P/c1-17-13-21(28-22(23)18(17)2)16-27-29(24,25-14-19-9-5-3-6-10-19)26-15-20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3/t17-,18+,21-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@]3([C@H]2C[C@@H]4[C@H](C3=O)O4)CO
InChI: InChI=1S/C12H14O3/c13-5-12-7-2-1-6(3-7)8(12)4-9-10(15-9)11(12)14/h1-2,6-10,13H,3-5H2/t6-,7+,8-,9+,10+,12+/m0/s1
SMILES: CC1=C(C(=CC=C1)C)OC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C17H20N2O5/c1-10-4-3-5-11(2)16(10)24-14-6-7-19(17(22)18-14)15-8-12(21)13(9-20)23-15/h3-7,12-13,15,20-21H,8-9H2,1-2H3/t12-,13+,15+/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@](C[C@@H]([C@]3(C1)CC[C@@H]2O)OC)(C)CO
InChI: InChI=1S/C16H28O3/c1-14-6-4-11-15(2,10-17)8-13(19-3)16(11,9-14)7-5-12(14)18/h11-13,17-18H,4-10H2,1-3H3/t11-,12-,13-,14+,15-,16-/m0/s1
SMILES: CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)N[C@H]1C[C@@]2(C=C(C(=O)[C@@H]3[C@H]2O3)Cl)O[C@H]1O
InChI: InChI=1S/C23H32ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,20-22,28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,20-,21-,22-,23-/m1/s1
SMILES: CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)/C=C/C5=CC=C(C=C5)N(C)C)C(=O)OC
InChI: InChI=1S/C25H25N3O4/c1-14-21(24(31)32-4)22-23(26-14)18(29)11-19-25(22)12-16(25)13-28(19)20(30)10-7-15-5-8-17(9-6-15)27(2)3/h5-11,16,26H,12-13H2,1-4H3/b10-7+/t16-,25+/m1/s1
SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C6=CC=CC=C6)C)[C@]3(CC2)C)C)(C)CC(=O)OC7=CC=CC=C7
InChI: InChI=1S/C44H56O4/c1-39(2)34-19-18-33-32(42(34,5)22-21-36(39)48-38(46)30-14-10-8-11-15-30)20-23-44(7)35-28-40(3,24-25-41(35,4)26-27-43(33,44)6)29-37(45)47-31-16-12-9-13-17-31/h8-18,20,34-36H,19,21-29H2,1-7H3/t34-,35+,36+,40+,41+,42+,43+,44-/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=CC5=CC=CC=C54)O)C(=O)C=C(C3=O)Br)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)NC8=CC=CC=C8
InChI: InChI=1S/C38H27BrN2O5/c39-29-19-31(43)34-28(36(29)44)18-27-25(35(34)33-24-9-5-4-6-20(24)10-17-30(33)42)15-16-26-32(27)38(46)41(37(26)45)23-13-11-22(12-14-23)40-21-7-2-1-3-8-21/h1-15,17,19,26-27,32,35,40,42H,16,18H2/t26-,27+,32-,35+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H]3C(=O)N[C@H](CCCCCCCCCC[C@H](C(=O)N3C2)NC(=O)NC4(CCCCC4)C)C(=O)C(=O)N)C
InChI: InChI=1S/C31H51N5O5/c1-30(2)20-19-36-24(23(20)30)27(39)33-21(25(37)26(32)38)15-11-8-6-4-5-7-9-12-16-22(28(36)40)34-29(41)35-31(3)17-13-10-14-18-31/h20-24H,4-19H2,1-3H3,(H2,32,38)(H,33,39)(H2,34,35,41)/t20-,21+,22+,23-,24-/m0/s1
SMILES: C[C@]1(C2=C(C3=CC=CC=C3C=C2)O[P@@]1(=O)C4=CC=CC=C4)NC5=CC=C(C=C5)Br
InChI: InChI=1S/C24H19BrNO2P/c1-24(26-19-14-12-18(25)13-15-19)22-16-11-17-7-5-6-10-21(17)23(22)28-29(24,27)20-8-3-2-4-9-20/h2-16,26H,1H3/t24-,29-/m0/s1
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)NC(=O)C2=CC=CC=C2)OC)CS(=O)(=O)[O-]
InChI: InChI=1S/C18H23NO10S.C16H36N/c1-10(20)27-15-13(9-30(23,24)25)29-18(26-3)14(16(15)28-11(2)21)19-17(22)12-7-5-4-6-8-12;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h4-8,13-16,18H,9H2,1-3H3,(H,19,22)(H,23,24,25);5-16H2,1-4H3/q;+1/p-1/t13-,14-,15-,16-,18+;/m1./s1
SMILES: CC1=NN(C(=C1C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C20H24ClN3O/c1-12(17-11-14-8-9-15(17)10-14)22-20(25)18-13(2)23-24(19(18)21)16-6-4-3-5-7-16/h3-7,12,14-15,17H,8-11H2,1-2H3,(H,22,25)/t12-,14-,15-,17-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CC[C@]4(C#C)O)C)C
InChI: InChI=1S/C23H32O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,6,17-20,25H,7-14H2,2-4H3/t17-,18-,19+,20+,21-,22+,23-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl
InChI: InChI=1S/C18H24ClN3O4S/c1-13(23)14-2-4-15(5-3-14)22-8-6-21(7-9-22)10-18(24)20-17-12-27(25,26)11-16(17)19/h2-5,16-17H,6-12H2,1H3,(H,20,24)/t16-,17+/m0/s1
SMILES: CCOC(=O)[C@]12[C@@H](C3=CC=CC=C3OC1=O)C(C2(C)C)(C)C
InChI: InChI=1S/C18H22O4/c1-6-21-14(19)18-13(16(2,3)17(18,4)5)11-9-7-8-10-12(11)22-15(18)20/h7-10,13H,6H2,1-5H3/t13-,18+/m0/s1
SMILES: CC[C@]1(NC(=O)[C@H]2N1CC(C2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)C(C)O)C(=O)O)C
InChI: InChI=1S/C19H27N3O5S/c1-5-19(4)20-16(24)11-6-10(7-21(11)19)28-15-8(2)13-12(9(3)23)17(25)22(13)14(15)18(26)27/h8-13,23H,5-7H2,1-4H3,(H,20,24)(H,26,27)/t8-,9?,10?,11+,12-,13-,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]([C@@H](C2C1O2)O[Si](C)(C)C(C)(C)C)(C#C)O
InChI: InChI=1S/C20H38O4Si2/c1-12-20(21)13-14(23-25(8,9)18(2,3)4)15-16(22-15)17(20)24-26(10,11)19(5,6)7/h1,14-17,21H,13H2,2-11H3/t14-,15?,16?,17-,20+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC(=CC=C2)OC
InChI: InChI=1S/C18H22O5/c1-10(19)15-14(21)9-18(3,22)17(11(2)20)16(15)12-6-5-7-13(8-12)23-4/h5-8,15-17,22H,9H2,1-4H3/t15-,16+,17+,18+/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(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22?,23-,24-,25-,27+,28-,29-,30-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)OCCC=C)OCC=C)OC
InChI: InChI=1S/C59H67N3O11/c1-5-7-33-69-58(66)62(38-43-23-17-22-41-20-11-12-24-46(41)43)54-37-51(61-71-39-40-18-9-8-10-19-40)48-34-42(21-13-15-30-63)47(25-14-16-31-64)55-49-35-45(27-29-52(49)73-59(54,56(48)55)70-32-6-2)72-57(65)60-50-28-26-44(67-3)36-53(50)68-4/h5-6,8-12,17-20,22-24,26-29,34-36,42,47,54-56,63-64H,1-2,7,13-16,21,25,30-33,37-39H2,3-4H3,(H,60,65)/t42-,47+,54-,55+,56+,59+/m0/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)SCC)OCC=C
InChI: InChI=1S/C39H52N2O7S/c1-4-22-45-39-35(49-6-3)25-33(41-46-26-27-14-8-7-9-15-27)31-23-28(16-10-12-20-42)30(17-11-13-21-43)36(37(31)39)32-24-29(18-19-34(32)48-39)47-38(44)40-5-2/h4,7-9,14-15,18-19,23-24,28,30,35-37,42-43H,1,5-6,10-13,16-17,20-22,25-26H2,2-3H3,(H,40,44)/t28-,30+,35-,36+,37+,39+/m0/s1
SMILES: CCCCCCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCC(Cl)(Cl)Cl
InChI: InChI=1S/C21H32Cl3N6O8P/c1-4-5-6-7-8-35-19(32)14(3)28-39(34,37-12-21(22,23)24)36-11-16-15(27-29-25)9-17(38-16)30-10-13(2)18(31)26-20(30)33/h10,14-17H,4-9,11-12H2,1-3H3,(H,28,34)(H,26,31,33)/t14-,15-,16+,17+,39?/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(23)12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(24)25/h1-2,4-10,14-15,18,20H,3H2,(H,22,23)/p-1/t14-,15+,18-/m0/s1
SMILES: CC(=C)[C@@H]1[C@@H]2C[C@@]([C@@H](O2)CC[C@]3([C@H](CCC#C[C@@H]1O)OC(O3)(C)C)C)(C)OCOC
InChI: InChI=1S/C24H38O6/c1-16(2)21-17(25)10-8-9-11-20-23(5,30-22(3,4)29-20)13-12-19-24(6,27-15-26-7)14-18(21)28-19/h17-21,25H,1,9,11-15H2,2-7H3/t17-,18-,19-,20-,21-,23-,24+/m0/s1
SMILES: CO[C@H](C1=CC=CC=C1)C(=O)O[C@H]2C[C@@H]3[C@H](COC(O3)C4=CC=CC=C4)C=C2
InChI: InChI=1S/C23H24O5/c1-25-21(16-8-4-2-5-9-16)22(24)27-19-13-12-18-15-26-23(28-20(18)14-19)17-10-6-3-7-11-17/h2-13,18-21,23H,14-15H2,1H3/t18-,19+,20+,21+,23?/m0/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N)C#N
InChI: InChI=1S/C12H14N6O3/c13-1-5-3-18(11-7(5)10(15)16-4-17-11)12-9(20)8(19)6(2-14)21-12/h3-4,6,8-9,12,19-20H,2,14H2,(H2,15,16,17)/t6-,8-,9-,12-/m1/s1
SMILES: C[C@@]12C=C[C@@H](O1)[C@@H]3[C@H]2C(=O)N(C3=O)CC4=CC=CC=C4
InChI: InChI=1S/C16H15NO3/c1-16-8-7-11(20-16)12-13(16)15(19)17(14(12)18)9-10-5-3-2-4-6-10/h2-8,11-13H,9H2,1H3/t11-,12-,13+,16+/m1/s1
SMILES: C[C@]12CCC[C@@]([C@@H]1[C@H]([C@@H](CC2)C(=C)C=O)O)(C)O
InChI: InChI=1S/C15H24O3/c1-10(9-16)11-5-8-14(2)6-4-7-15(3,18)13(14)12(11)17/h9,11-13,17-18H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15+/m0/s1
SMILES: CCCC[C@@]1(CC[C@@]2(O1)CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)CO)O)C)[C@H](C#C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H56O5Si/c1-11-13-19-31(29(12-2)36-38(9,10)30(6,7)8)21-22-32(37-31)20-18-25(4)28(35-32)17-15-24(3)14-16-27(34)26(5)23-33/h2,14-16,25-29,33-34H,11,13,17-23H2,1,3-10H3/b16-14+,24-15+/t25-,26-,27-,28+,29-,31+,32-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)[O-])SC4=C(C=NC=C4)CC#CC[NH3+]
InChI: InChI=1S/C21H18ClN7O5S3/c22-16-12(27-21(24)37-16)13(28-34)17(30)26-14-18(31)29-15(20(32)33)11(8-35-19(14)29)36-10-4-6-25-7-9(10)3-1-2-5-23/h4,6-7,14,19,34H,3,5,8,23H2,(H2,24,27)(H,26,30)(H,32,33)/b28-13-/t14-,19-/m1/s1
SMILES: CC1=C2C(=C(C=C1)[N+](=O)[O-])[C@H]3C=CC[C@@H]3[C@H](N2)C4=CC(=CC=C4)Br
InChI: InChI=1S/C19H17BrN2O2/c1-11-8-9-16(22(23)24)17-14-6-3-7-15(14)19(21-18(11)17)12-4-2-5-13(20)10-12/h2-6,8-10,14-15,19,21H,7H2,1H3/t14-,15-,19+/m0/s1
SMILES: CO[C@H]1[C@@]2(C[C@H]2CO)[C@H]([C@H](O1)[C@H]3COC4(O3)CCCCC4)OCC5=CC=CC=C5
InChI: InChI=1S/C23H32O6/c1-25-21-23(12-17(23)13-24)20(26-14-16-8-4-2-5-9-16)19(28-21)18-15-27-22(29-18)10-6-3-7-11-22/h2,4-5,8-9,17-21,24H,3,6-7,10-15H2,1H3/t17-,18+,19+,20-,21+,23+/m0/s1
SMILES: C[Si](C)(C)O[C@]12[C@@H]3[C@]1(C=CC2[C@@H]4[C@H]3CCC4)C(F)(F)F
InChI: InChI=1S/C15H21F3OSi/c1-20(2,3)19-14-11-7-8-13(14,15(16,17)18)12(14)10-6-4-5-9(10)11/h7-12H,4-6H2,1-3H3/t9-,10+,11?,12-,13-,14+/m0/s1
SMILES: C[C@]12CCCC(C1CC[C@@]3([C@@H]2CC4=C(O3)C=CC(=C4)O)C)(C)C
InChI: InChI=1S/C21H30O2/c1-19(2)9-5-10-20(3)17(19)8-11-21(4)18(20)13-14-12-15(22)6-7-16(14)23-21/h6-7,12,17-18,22H,5,8-11,13H2,1-4H3/t17?,18-,20+,21-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H27N3O2S2/c1-15-7-5-6-10-17(15)19-18(24)20-11-13-21(14-12-20)25(22,23)16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H,19,24)/t15-,17-/m0/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@H]3[C@H]1OC4=C(C(=CC(=C34)O[C@@]2(C)CC[C@@H](C(C)(C)O)O)C=O)C=O)O
InChI: InChI=1S/C23H30O7/c1-21(2,27)16(26)6-8-23(4)14-5-7-22(3,28)20-17(14)18-15(30-23)9-12(10-24)13(11-25)19(18)29-20/h9-11,14,16-17,20,26-28H,5-8H2,1-4H3/t14-,16+,17+,20-,22+,23+/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)C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6)C8=CC=C(C=C8)OCCO
InChI: InChI=1S/C38H30N2O7/c1-20-18-30(42)28-19-27-25(32(34(28)35(20)43)21-8-12-24(13-9-21)46-17-16-41)14-15-26-33(27)38(45)40(37(26)44)23-10-6-22(7-11-23)36-39-29-4-2-3-5-31(29)47-36/h2-14,18,26-27,32-33,41H,15-17,19H2,1H3/t26-,27+,32-,33-/m0/s1
SMILES: COC1=CC(=CC(=C1OC(=O)OCC2=CC=CC=C2)OC)[C@H]3[C@@H]4[C@H](COC4=O)[C@@H](C5=CC6=C(C=C35)OCO6)OC(=O)NCCCN=[N+]=[N-]
InChI: InChI=1S/C33H32N4O11/c1-41-25-11-19(12-26(42-2)30(25)48-33(40)44-15-18-7-4-3-5-8-18)27-20-13-23-24(46-17-45-23)14-21(20)29(22-16-43-31(38)28(22)27)47-32(39)35-9-6-10-36-37-34/h3-5,7-8,11-14,22,27-29H,6,9-10,15-17H2,1-2H3,(H,35,39)/t22-,27+,28-,29+/m0/s1
SMILES: CC[C@@]1(CCC[C@@H]2[C@H]1[C@@H]3[C@@H](C2C[Se]C4=CC=CC=C4[N+](=O)[O-])CCC[C@]3(CC)OCOCC5=CC=CC=C5)OCOCC6=CC=CC=C6
InChI: InChI=1S/C40H51NO6Se/c1-3-39(46-28-44-25-30-15-7-5-8-16-30)23-13-19-32-34(27-48-36-22-12-11-21-35(36)41(42)43)33-20-14-24-40(4-2,38(33)37(32)39)47-29-45-26-31-17-9-6-10-18-31/h5-12,15-18,21-22,32-34,37-38H,3-4,13-14,19-20,23-29H2,1-2H3/t32-,33+,34?,37-,38-,39-,40-/m0/s1
SMILES: CCCCCC(CC)N1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI: InChI=1S/C30H53NO8/c1-7-13-14-19-22(12-6)31-20-24(37-26(33)16-9-3)30(39-28(35)18-11-5)29(38-27(34)17-10-4)23(31)21-36-25(32)15-8-2/h22-24,29-30H,7-21H2,1-6H3/t22?,23-,24+,29-,30-/m1/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O[C@@H](C)C5=CC=C(C=C5)C(=O)OC)C
InChI: InChI=1S/C25H34O7/c1-14-6-11-20-15(2)22(28-16(3)17-7-9-18(10-8-17)21(26)27-5)29-23-25(20)19(14)12-13-24(4,30-23)31-32-25/h7-10,14-16,19-20,22-23H,6,11-13H2,1-5H3/t14-,15-,16+,19+,20?,22+,23-,24-,25-/m1/s1
SMILES: C[C@@H]1CC2=NC(=C([C@H]([C@H]2C(=O)C1)C3=CC(=CC=C3)OC)C(=O)NC4=NC=C(C=C4)C)C
InChI: InChI=1S/C25H27N3O3/c1-14-8-9-21(26-13-14)28-25(30)22-16(3)27-19-10-15(2)11-20(29)24(19)23(22)17-6-5-7-18(12-17)31-4/h5-9,12-13,15,23-24H,10-11H2,1-4H3,(H,26,28,30)/t15-,23-,24-/m1/s1
SMILES: CCOC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@@H]([C@@H]3[C@@H]2[C@@H]([C@@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5Cl
InChI: InChI=1S/C26H23Cl2N3O5S/c1-2-36-14-11-16-23-17(13-22(24(23)28)37-21-10-6-5-9-19(21)30(32)33)25(15-7-3-4-8-18(15)27)29-26(16)20(12-14)31(34)35/h3-12,17,22-25,29H,2,13H2,1H3/t17-,22+,23+,24+,25+/m0/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)[C@]23[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)O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C51H43N3O15/c1-65-46(58)37(47(59)66-2)18-9-11-30-21-24-39-38(27-30)51(49(61)52(39)50(62)68-29-31-19-22-35(23-20-31)54(63)64)40(45(56)57)42-48(60)69-43(33-14-7-4-8-15-33)41(32-12-5-3-6-13-32)53(42)44(51)34-16-10-17-36(28-34)67-26-25-55/h3-8,10,12-17,19-24,27-28,37,40-44,55H,18,25-26,29H2,1-2H3,(H,56,57)/t40-,41-,42-,43+,44+,51-/m0/s1
SMILES: C/C=C\1/C(=O)C[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/C21H32O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,13-15,17-18,22H,5-12H2,1-3H3/b16-4-/t13-,14-,15+,17-,18-,20-,21+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]([C@H]2[C@H]3[C@@H]([C@H](O2)O[Si](C)(C)C(C)(C)C)OC(O3)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C27H52O9Si2/c1-24(2,3)37(11,12)35-18(16-15-30-26(7,8)32-16)17(22(28)29)19-20-21(34-27(9,10)33-20)23(31-19)36-38(13,14)25(4,5)6/h16-21,23H,15H2,1-14H3,(H,28,29)/t16-,17-,18-,19+,20+,21+,23-/m1/s1
SMILES: CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCC4=CC(=O)C(=CN4O)O)/C5=CSC(=N5)N)SC2)C(=O)O
InChI: InChI=1S/C24H27N11O8S3/c1-32(2)3-4-33-24(28-30-31-33)46-9-11-8-44-21-17(20(39)35(21)18(11)22(40)41)27-19(38)16(13-10-45-23(25)26-13)29-43-7-12-5-14(36)15(37)6-34(12)42/h5-6,10,17,21,37,42H,3-4,7-9H2,1-2H3,(H2,25,26)(H,27,38)(H,40,41)/b29-16-/t17-,21-/m1/s1
SMILES: CC[C@@H](C(=O)OC[C@@H]1CCC[NH+]2[C@@H]1CCCC2)OC3=CC=CC=C3
InChI: InChI=1S/C20H29NO3/c1-2-19(24-17-10-4-3-5-11-17)20(22)23-15-16-9-8-14-21-13-7-6-12-18(16)21/h3-5,10-11,16,18-19H,2,6-9,12-15H2,1H3/p+1/t16-,18+,19-/m0/s1
SMILES: CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)S(=O)(=O)O)[C@](CC1)(C)OC(=O)C
InChI: InChI=1S/C17H28O5S/c1-11(2)13-6-8-16(4,22-12(3)18)14-7-9-17(5,15(14)10-13)23(19,20)21/h10-11,14-15H,6-9H2,1-5H3,(H,19,20,21)/t14-,15+,16-,17+/m1/s1
SMILES: COC1=CC(=C(C=C1)CN2[C@H]([C@H](C2=O)NC(=O)OCC(Cl)(Cl)Cl)C(=O)OC)OC
InChI: InChI=1S/C17H19Cl3N2O7/c1-26-10-5-4-9(11(6-10)27-2)7-22-13(15(24)28-3)12(14(22)23)21-16(25)29-8-17(18,19)20/h4-6,12-13H,7-8H2,1-3H3,(H,21,25)/t12-,13-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C3=CC(=CC=C3)C(=O)NC)O
InChI: InChI=1S/C23H28N2O7/c1-12(26)17-16-10-15(13-7-6-8-14(9-13)19(27)24-5)18(25(16)20(17)28)21(29)31-11-32-22(30)23(2,3)4/h6-9,12,16-17,26H,10-11H2,1-5H3,(H,24,27)/t12-,16-,17-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=CC=CC=C3[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC=C
InChI: InChI=1S/C47H44N4O7/c1-3-27-48-43(53)38-40-44(54)58-41(33-21-11-6-12-22-33)39(32-19-9-5-10-20-32)51(40)42(34-23-13-16-26-37(34)57-29-28-52)47(38)35-24-14-15-25-36(35)50(45(47)55)46(56)49-30(2)31-17-7-4-8-18-31/h3-26,30,38-42,52H,1,27-29H2,2H3,(H,48,53)(H,49,56)/t30-,38-,39-,40-,41+,42+,47-/m1/s1
SMILES: C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)N)O
InChI: InChI=1S/C8H17NO6/c1-2(10)3(9)7-5(12)4(11)6(13)8(14)15-7/h2-8,10-14H,9H2,1H3/t2-,3-,4+,5-,6-,7-,8+/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)OC6=CC=CC=C6Cl
InChI: InChI=1S/C26H18ClNO4/c27-18-11-5-6-12-19(18)32-20(29)13-28-25(30)23-21-14-7-1-2-8-15(14)22(24(23)26(28)31)17-10-4-3-9-16(17)21/h1-12,21-24H,13H2/t21?,22?,23-,24-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3
InChI: InChI=1S/C18H23N3O2S/c1-12-7-6-10-15(13(12)2)19-16(22)11-24-18-21-20-17(23-18)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,19,22)/t12-,13+,15+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)CCC5CCCC5
InChI: InChI=1S/C41H62N2O9/c1-3-23-50-41-37(43(19-24-49-25-22-46)38(48)18-15-29-11-5-6-12-29)28-35(42-51-4-2)33-26-30(13-7-9-20-44)32(14-8-10-21-45)39(40(33)41)34-27-31(47)16-17-36(34)52-41/h3,16-17,26-27,29-30,32,37,39-40,44-47H,1,4-15,18-25,28H2,2H3/t30-,32+,37-,39+,40+,41+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)[C@@H]3[C@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)OC)C
InChI: InChI=1S/C30H30N4O2/c1-18-11-19(2)25(20(3)12-18)15-36-26-10-9-21(13-27(26)35-4)28-23-8-6-5-7-22(23)24(14-31)29(34)30(28,16-32)17-33/h7,9-13,23,28H,5-6,8,15,34H2,1-4H3/t23-,28+/m0/s1
SMILES: C[C@H]1C2=CC=CC=C2[C@H]3[C@@H](N1C)ON=C3C4=CC=C(C=C4)C
InChI: InChI=1S/C19H20N2O/c1-12-8-10-14(11-9-12)18-17-16-7-5-4-6-15(16)13(2)21(3)19(17)22-20-18/h4-11,13,17,19H,1-3H3/t13-,17+,19-/m0/s1
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H23N3O6/c1-12(24)21-13-5-4-6-14(9-13)22-17(25)11-29-18(26)10-23-19(27)15-7-2-3-8-16(15)20(23)28/h4-6,9,15-16H,2-3,7-8,10-11H2,1H3,(H,21,24)(H,22,25)/t15-,16-/m0/s1
SMILES: C[C@H](CCC[C@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H41F3O3/c1-17(7-5-14-26(4,33)27(28,29)30)22-11-12-23-19(8-6-13-25(22,23)3)9-10-20-15-21(31)16-24(32)18(20)2/h9-10,17,21-24,31-33H,2,5-8,11-16H2,1,3-4H3/b19-9+,20-10+/t17-,21-,22-,23+,24+,25-,26-/m1/s1
SMILES: C[C@@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)NC(=O)CN3CCN(CC3)C
InChI: InChI=1S/C16H29N3O/c1-12(15-10-13-3-4-14(15)9-13)17-16(20)11-19-7-5-18(2)6-8-19/h12-15H,3-11H2,1-2H3,(H,17,20)/t12-,13+,14+,15-/m0/s1
SMILES: CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)[C@H]5CC=CC[C@H]5C(=O)O
InChI: InChI=1S/C27H28N4O3/c1-18-11-12-23-22(17-18)24(19-7-3-2-4-8-19)29-27(28-23)31-15-13-30(14-16-31)25(32)20-9-5-6-10-21(20)26(33)34/h2-8,11-12,17,20-21H,9-10,13-16H2,1H3,(H,33,34)/t20-,21+/m0/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)NCC4=CC=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C50H69N3O4/c1-4-6-8-10-12-19-33-53(34-20-13-11-9-7-5-2)37-47-39(3)48(43-27-25-41(38-54)26-28-43)57-49(56-47)44-31-29-42(30-32-44)46-24-18-17-23-45(46)36-52-50(55)51-35-40-21-15-14-16-22-40/h14-18,21-32,39,47-49,54H,4-13,19-20,33-38H2,1-3H3,(H2,51,52,55)/t39-,47+,48+,49+/m1/s1
SMILES: C1CC2CC1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C21H29N5O2.C6H8O7/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15?,16?,17-,18+;
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=C[C@@H]4[C@@H]5[C@@H]([C@H]3C(=O)C4(OC)OC)C(=CC(=O)C5(OC)OC)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C50H60O8Si2/c1-47(2,3)59(37-23-15-11-16-24-37,38-25-17-12-18-26-38)57-33-35-31-41-45-43(44(35)46(52)49(41,53-7)54-8)36(32-42(51)50(45,55-9)56-10)34-58-60(48(4,5)6,39-27-19-13-20-28-39)40-29-21-14-22-30-40/h11-32,41,43-45H,33-34H2,1-10H3/t41-,43-,44+,45-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]([C@@H]([C@@H]3N2N=CC4=CC=CC=C34)[N+](=O)[O-])C5=CC=CO5
InChI: InChI=1S/C22H17N3O4/c26-22(14-7-2-1-3-8-14)21-18(17-11-6-12-29-17)20(25(27)28)19-16-10-5-4-9-15(16)13-23-24(19)21/h1-13,18-21H/t18-,19+,20-,21-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](C[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[NH+](C)C
InChI: InChI=1S/C23H37NO2/c1-14(25)21-20(24(4)5)13-19-17-7-6-15-12-16(26)8-10-22(15,2)18(17)9-11-23(19,21)3/h6,16-21,26H,7-13H2,1-5H3/p+1/t16-,17-,18+,19+,20+,21-,22-,23-/m0/s1
SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H](C2=O)C[C@@H](C/C=C/C(C)C)CC#C)C
InChI: InChI=1S/C30H52O2Si/c1-11-13-24(15-12-14-22(2)3)20-25-18-19-30(8)26(16-17-27(30)28(25)31)23(4)21-32-33(9,10)29(5,6)7/h1,12,14,22-27H,13,15-21H2,2-10H3/b14-12+/t23-,24-,25+,26-,27+,30-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]([C@@]2(C1=O)C)C5=C(C=C(C=C5OC)O)OC
InChI: InChI=1S/C25H27N3O7/c1-12-8-17(30)15-11-16-14(6-7-27-23(32)26(3)24(33)28(16)27)21(25(15,2)22(12)31)20-18(34-4)9-13(29)10-19(20)35-5/h6,8-10,15-16,21,29H,7,11H2,1-5H3/t15-,16+,21+,25+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](CCN3C(=O)COCC(=O)O)NC2=O
InChI: InChI=1S/C17H19N3O6/c1-10-2-4-11(5-3-10)20-16(24)15-12(18-17(20)25)6-7-19(15)13(21)8-26-9-14(22)23/h2-5,12,15H,6-9H2,1H3,(H,18,25)(H,22,23)/t12-,15+/m1/s1
SMILES: CC[C@H]1C(=C(OC2=C1C(=O)O[C@@H]3[C@@H]2C=CC=C3)N)C#N
InChI: InChI=1S/C15H14N2O3/c1-2-8-10(7-16)14(17)20-13-9-5-3-4-6-11(9)19-15(18)12(8)13/h3-6,8-9,11H,2,17H2,1H3/t8-,9-,11-/m0/s1
SMILES: C[C@]12C[C@H]3C4C(C1C=C[C@]2(/C=C\CO)O)CCC5=CC(=O)CCC45CC6=C3C=CC(=C6)C7=CN=CC=C7
InChI: InChI=1S/C33H35NO3/c1-31-19-28-26-7-5-21(22-4-2-14-34-20-22)16-23(26)18-32-12-9-25(36)17-24(32)6-8-27(30(28)32)29(31)10-13-33(31,37)11-3-15-35/h2-5,7,10-11,13-14,16-17,20,27-30,35,37H,6,8-9,12,15,18-19H2,1H3/b11-3-/t27?,28-,29?,30?,31+,32?,33+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]([C@H]2C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C13H13NO2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8H2/t10-,11+,12-,13-/m0/s1
SMILES: CS(=O)(=O)O[C@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO
InChI: InChI=1S/C10H15N3O7S/c1-21(17,18)20-8-5(4-14)19-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8+,9-/m1/s1