number,coreid,refcode,name,mofid-v1,mofid-v2,LCD (Å),PLD (Å),LFPD (Å),Density (g/cm3),ASA (A2),ASA (m2/cm3),ASA (m2/g),NASA (A2),NASA (m2/cm3),NASA (m2/g),PV (A3),VF,PV (cm3/g),NAV (A3),NAV_VF,NPV (cm3/g),structure_dimension,topology(SingleNodes),topology(SingleNodes)-zeo,topology(AllNodes),topology(AllNodes)-zeo,catenation,dimension_by_topo,hall,number_spacegroup,Metal Types,Has OMS,OMS Types,Charge,average_atomic_mass,Heat_capacity@300K (J/g/K),std @ 300 K (J/g/K),Heat_capacity@350K (J/g/K),std @ 350 K (J/g/K),Heat_capacity@400K (J/g/K),std @ 400 K (J/g/K),k_cp (J/g/K/K),cp0 (J/g/K),natoms,Source,DOI,Year,Time,Publication,Extension,unmodified,Thermal_stability (℃),Solvent_stability,Water_stability,KH_Classes,memo
1,2020[Cu][sql]2[ASR]1,10876_2020_1817_MOESM2_ESM_ASR_pacman,-,Nc1cnccc1c1ccncc1.[Cu] MOFid-v1.sql.cat1;10876_2020_1817_MOESM2_ESM_ASR_pacman,[Cu1_Type-1].[N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;10876_2020_1817_MOESM2_ESM_ASR_pacman,8.85794,5.7866,8.85794,0.578816,1360.43,2920.33,5045.35,0,0,0,3519.94,0.7556,1.30542,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-P 2 2n,58,Cu,Yes,Cu,PACMAN-DDEC6,9.020958222,0.896209663,0.068390244,1.020818056,0.105506138,1.073200056,0.108659258,0.001769904,0.377276212,180,SI,10.1007/s10876-020-01817-4,2020,2020/5/25,Springer,All Solvent Removed,FALSE,424,0.7112372,0.55,weak,
2,2015[Cu][nan]3[ASR]1,41467_2015_BFncomms7350_MOESM943_ESM_1_ASR_pacman,-,CC1=NN=C([N]1)CC1=[N]=C(N=N1)C.CC1=[N]=C(N=N1)CC1=[N]=C(N=N1)C.[Cu] MOFid-v1.unknown.cat0;41467_2015_BFncomms7350_MOESM943_ESM_1_ASR_pacman,unknown,6.31761,5.94846,6.3176,1.52436,677.299,1281.34,840.572,0,0,0,2758.17,0.5218,0.342307,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,13.18567913,0.757795845,0.019963537,0.837729007,0.04070271,0.924914944,0.040729635,0.001671191,0.25522975,368,SI,10.1038/ncomms7350,2015,2015/2/23,Nature,All Solvent Removed,FALSE,398.9,0.549154,0.711904762,weak,
3,2017[Zr][nan]3[ASR]1,41467_2017_BFncomms15369_MOESM422_ESM_2_ASR_pacman,-,F[Zr](F)F.F[Zr]F.[O]P(=O)(c1ccc(cc1)C(c1ccc(cc1)P(=O)([O])[O])(c1ccc(cc1)P(=O)([O])[O])c1ccc(cc1)P(=O)([O])[O])[O] MOFid-v1.unknown.cat0;41467_2017_BFncomms15369_MOESM422_ESM_2_ASR_pacman,[F2Zr1_Type-1].[F3Zr1_Type-1].[OH0][P][=Branch1][C][=O][Branch2][=Branch1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][OH0][OH0][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][OH0][OH0][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][OH0][OH0][OH0] MOFid-v2.UNKNOWN.cat0;41467_2017_BFncomms15369_MOESM422_ESM_2_ASR_pacman,12.00356,7.22815,8.46923,0.811156,2138.58,2468.65,3043.37,0,0,0,6429.66,0.7422,0.91499,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-I 4,87,Zr,No,N/A,PACMAN-DDEC6,15.55796491,0.734490771,0.020642573,0.79819189,0.030338756,0.85072403,0.040261048,0.001162333,0.38765249,272,SI,10.1038/ncomms15369,2017,2017/5/30,Nature,All Solvent Removed,TRUE,412.5,0.67358696,0.67,none,
4,2015[Zn][hea]3[ASR]1,41557_2015_BFnchem2258_MOESM175_ESM_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1ccc(c2c1N[C](N2)c1ccc(cc1)[C]1Nc2c(N1)c(ccc2c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.hea,unknown.cat0;41557_2015_BFnchem2258_MOESM175_ESM_ASR_pacman","[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][=Branch1][=Branch1][C][=C][Ring1][=Branch1][N][CH0][Branch1][Ring2][N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][N][C][=C][Branch1][Ring2][N][Ring1][Branch1][C][=Branch2][Ring1][Branch1][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hea,UNKNOWN.cat0;41557_2015_BFnchem2258_MOESM175_ESM_ASR_pacman",11.61449,9.32322,10.52108,0.548186,6391.07,2407.33,4391.44,30.1796,11.3677,20.737,20808.6,0.7838,1.42981,0,0,0,3,hea,unnamed,unnamed,unnamed,1,3,"R 3 2""",155,Zn,Yes,Zn,PACMAN-DDEC6,10.66172467,0.839103286,0.042795997,0.953465445,0.060551185,1.0292085,0.073839331,0.001901052,0.275224172,822,SI,10.1038/NCHEM.2258,2015,2015/5/4,Nature,All Solvent Removed,FALSE,357.9,0.65585876,0.47,weak,
5,2023[Al][nan]3[ASR]1,42004_2023_850_MOESM4_ESM_ASR_pacman,-,[Al].[O-]C(=O)c1ccc(o1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;42004_2023_850_MOESM4_ESM_ASR_pacman,[Al1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;42004_2023_850_MOESM4_ESM_ASR_pacman,5.59563,4.29059,5.52583,1.10771,336.332,1415.94,1278.26,0,0,0,1350.61,0.5686,0.513312,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw -1bw,141,Al,No,N/A,PACMAN-DDEC6,12.37912241,0.894683196,0.020325282,1.015439301,0.021720728,1.110684594,0.023286604,0.002160014,0.250930801,128,SI,10.1038/s42004-023-00850-4,2023,2023/3/24,Nature,All Solvent Removed,TRUE,280.8,0.6186819,0.56,weak,
6,2019[In][mmt]3[ASR]1,ac9b01379_si_002_ASR_pacman,-,"[In].[O-]C(=O)c1ccc(cc1)c1cc(cc(n1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1cc(nc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.mmt,unknown.cat1;ac9b01379_si_002_ASR_pacman","[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.mmt,UNKNOWN.cat1;ac9b01379_si_002_ASR_pacman",11.44889,9.53551,11.42488,0.546774,3903.65,1951.08,3568.35,0,0,0,15405.8,0.77,1.40826,0,0,0,3,mmt,unnamed,unnamed,unnamed,2,3,-P 2n 2ab,60,In,No,N/A,PACMAN-DDEC6,10.42389823,0.859545538,0.033899438,0.95593987,0.062741125,1.018029087,0.075414363,0.001584835,0.38981241,632,SI,10.1021/acs.analchem.9b01379,2019,2019/6/28,ACS,All Solvent Removed,TRUE,359.1,0.8732283,0.56,weak,
7,2023[Cd][nan]3[ASR]1,adma202204553-sup-0004-jlu-mof88_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].n1ncn(c1)c1ccc(cc1)c1ccc(cc1)n1cnnc1 MOFid-v1.unknown.cat0;adma202204553-sup-0004-jlu-mof88_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;adma202204553-sup-0004-jlu-mof88_ASR_pacman,5.15336,2.94521,5.1512,1.24351,0,0,0,289.827,1092.22,878.342,1353.84,0.5102,0.410292,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 -2d,43,Cd,No,N/A,PACMAN-DDEC6,11.29034682,0.806733164,0.033068746,0.914899504,0.051786841,0.971909409,0.06760476,0.001651762,0.319730503,176,SI,10.1002/adma.202204553,2023,2023/2/19,WILEY,All Solvent Removed,FALSE,377.8,0.46836522,0.62962963,none,
8,2023[Cd][nan]2[ASR]1,adma202204553-sup-0005-jlu-mof89_ASR_pacman,-,Cc1cc(ccc1n1cnnc1)c1ccc(c(c1)C)n1cnnc1.[Cd].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;adma202204553-sup-0005-jlu-mof89_ASR_pacman,[Cd1_Type-1].[C][C][=C][C][=Branch1][=N][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=N][N][=C][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;adma202204553-sup-0005-jlu-mof89_ASR_pacman,5.20043,3.16992,5.20043,1.27081,0,0,0,274.441,1027.93,808.875,1316.77,0.4932,0.388098,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,F 2 -2d,43,Cd,No,N/A,PACMAN-DDEC6,10.86812426,0.829138923,0.034146681,0.919280707,0.067621168,0.971144331,0.075283264,0.001420054,0.409502394,188,SI,10.1002/adma.202204553,2023,2023/2/19,WILEY,All Solvent Removed,TRUE,319.6,0.47087127,0.675518519,none,
9,2023[Zn][eta]3[ASR]1,advs5490-sup-0002-suppmat_2_ASR_pacman,-,"CCC1=NC(=C([N]1)C)C=NC1CCCCC1N=CC1=C(C)[N]C(=N1)CC.CCC1=N[C](C(=N1)C)C=NC1CCCCC1N=CC1=C(C)[N]C(=N1)CC.CCC1=N[C](C(=N1)C=NC1CCCCC1N=C[C]1N=C(N=C1C)CC)C.[Zn]Br MOFid-v1.qtz,unknown.cat0;advs5490-sup-0002-suppmat_2_ASR_pacman","[Br1Zn1_Type-1].[C][C][C][=N][C][=Branch1][Branch2][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][C][=N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][C][=C][Branch1][C][C][NH0][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C].[C][C][C][=N][CH0][Branch1][Branch2][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][=N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][C][=C][Branch1][C][C][NH0][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C].[C][C][C][=N][CH0][Branch2][Ring1][#C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][CH0][N][=C][Branch1][=Branch1][N][=C][Ring1][Branch1][C][C][C][C] MOFid-v2.qtz,UNKNOWN.cat0;advs5490-sup-0002-suppmat_2_ASR_pacman",7.24464,6.56289,7.24464,1.07529,2025.61,1699.78,1580.76,0,0,0,7448.07,0.625,0.581236,0,0,0,3,eta,unnamed,eta,unnamed,1,3,P 65,170,Zn,Yes,Zn,PACMAN-DDEC6,11.08697448,0.792852487,0.044959074,0.845386516,0.086540119,0.894004912,0.081750289,0.001011524,0.490047817,696,SI,10.1002/advs.202207333,2023,2023/4/18,WILEY,All Solvent Removed,FALSE,398.7,0.058986545,0.636153846,weak,
10,2018[Zn][pcu]3[ASR]1,ae8b01428_si_002_ASR_pacman,-,[O-]C(=O)c1cc(Nc2ccccc2)c(cc1Nc1ccccc1)C(=O)[O-].[Zn][O]1[Zn][O]([Zn]1)[Zn] MOFid-v1.pcu.cat0;ae8b01428_si_002_ASR_pacman,[C6O14Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=C][C][=C][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;ae8b01428_si_002_ASR_pacman,6.11542,4.24797,6.11542,0.899946,1035.89,2106.47,2340.66,0,0,0,3129.59,0.6364,0.707153,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.57561333,0.861506845,0.031271165,0.960826052,0.065428403,1.011033372,0.075833081,0.001495265,0.421112579,252,SI,10.1021/acsaem.8b01428,2018,2018/11/29,ACS,All Solvent Removed,FALSE,377.9,0.32106575,0.56,strong,
11,2020[Zn][nan]3[ASR]1,am0c04538_si_002_ASR_pacman,-,[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1cc(cc(c1)C(=O)[O-])[C]1N[N]C(=N1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O-]C(=O)c1cc(cc(c1)c1[nH]nc(n1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.ERROR.cat1;am0c04538_si_002_ASR_pacman,[C16H12N18O8Zn5_Type-1].[CH1][C][=N][N][=N][Ring1][Branch1].[NH0][C][=C][N][=N][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][CH0][N][NH0][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring2][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][NH1][N][=C][Branch1][Ring2][N][=Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat1;am0c04538_si_002_ASR_pacman,7.88337,5.26114,7.88337,1.11425,615.379,1829.44,1641.85,0,0,0,2109.75,0.6272,0.562888,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,13.59647904,0.771197874,0.016361926,0.855541552,0.034125229,0.912379041,0.04520178,0.001411812,0.35223874,166,SI,10.1021/acsami.0c04538,2020,2020/3/30,ACS,All Solvent Removed,FALSE,336.4,0.6270679,0.698709677,weak,
12,2020[Zn][nan]3[ASR]2,am0c04538_si_003_ASR_pacman,-,"[CH]1C=NN=N1.[N]1C=CN=N1.[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cccc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.ERROR,tfa.cat1;am0c04538_si_003_ASR_pacman","[C16H12N18O8Zn5_Type-2].[CH1][C][=N][N][=N][Ring1][Branch1].[NH0][C][=C][N][=N][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR,tfa.cat1;am0c04538_si_003_ASR_pacman",6.90169,4.11736,6.90169,1.28971,457.055,1560.22,1209.74,0,0,0,1599.47,0.546,0.423352,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,13.07533655,0.779506659,0.01876427,0.8616994,0.03833569,0.916474642,0.049834274,0.00136968,0.373172294,174,SI,10.1021/acsami.0c04538,2020,2020/3/30,ACS,All Solvent Removed,FALSE,355.3,0.82887644,0.688709677,weak,
13,2020[InTb][nan]3[ASR]1,am0c07061_si_002_ASR_pacman,-,[In].[O-]C(=O)c1cc(ccc1[C]1NC(=CC(=C1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Tb] MOFid-v1.unknown.cat0;am0c07061_si_002_ASR_pacman,[C4In1O8_Type-1].[C8O16Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Branch1][O][=C][C][=C][Ring1][=Branch1][CH0][N][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am0c07061_si_002_ASR_pacman,8.61603,6.66351,8.59601,1.14162,765.973,1681.92,1473.28,0,0,0,2751.61,0.6042,0.529248,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,"In,Tb",No,N/A,PACMAN-DDEC6,14.10341315,0.722409544,0.017511606,0.812309736,0.027380767,0.868522043,0.037542423,0.001461125,0.289686698,222,SI,10.1021/acsami.0c07061,2020,2020/5/28,ACS,All Solvent Removed,TRUE,361.4,0.7815947,0.75,strong,
14,2020[Co][cds]3[ASR]1,am0c09912_si_002_ASR_pacman,-,O=C(c1ccncc1)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccncc1.[Co][Co].[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am0c09912_si_002_ASR_pacman,[C4Co2O8_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;am0c09912_si_002_ASR_pacman,7.68226,5.73122,7.68201,0.993824,1201.43,1517.09,1526.52,0,0,0,4696.16,0.593,0.596685,0,0,0,3,cds,unnamed,cds,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,10.67481937,0.890793577,0.030466695,1.007502543,0.061148086,1.046503406,0.074292238,0.001557098,0.436615441,444,SI,10.1021/acsami.0c09912,2020,2020/8/27,ACS,All Solvent Removed,FALSE,321.7,0.9094957,0.61,none,
15,2020[Co][fsc]3[ASR]1,am0c12992_si_002_ASR_pacman,-,"OC(=O)c1cc(C(=O)O)c(cc1N1[N]C=N[CH]1)N1[N]C=N[CH]1.[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1N1[N]C=N[CH]1)N1[N]C=N[CH]1.[O-]C(=O)c1cc(C(=O)[O-])c(cc1N1[N]C=N[CH]1)n1ncnc1 MOFid-v1.fsc,sql.cat0;am0c12992_si_002_ASR_pacman","[C2Co1O4_Type-2].[O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][N][C][=C][Ring1][=Branch2][N][NH0][C][=N][CH1][Ring1][Branch1][N][NH0][C][=N][CH1][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=C][Ring1][=Branch2][N][NH0][C][=N][CH1][Ring1][Branch1][N][NH0][C][=N][CH1][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=C][Ring1][=Branch2][N][NH0][C][=N][CH1][Ring1][Branch1][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.fsc,sql.cat0;am0c12992_si_002_ASR_pacman",6.07235,3.93851,6.07235,1.18268,500.594,1355.89,1146.45,0,0,0,1906.55,0.5164,0.436635,0,0,0,3,fsc,unnamed,fsc,unnamed,1,3,-P 2c 2b,57,Co,No,N/A,PACMAN-DDEC6,11.1419789,0.899411814,0.02102651,1.012341573,0.046324301,1.076306111,0.053713456,0.001768943,0.376889791,236,SI,10.1021/acsami.0c12992,2020,2020/9/3,ACS,All Solvent Removed,TRUE,345.2,0.44074845,0.739545455,weak,
16,2020[Ni][kgd]2[ASR]1,am0c13563_si_002_ASR_pacman,-,unknown,unknown,8.74454,4.76382,8.20215,0.77079,421.522,1832.24,2377.09,0,0,0,1442.47,0.627,0.813451,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-R 3,148,Ni,No,N/A,PACMAN-DDEC6,8.408355276,0.954963563,0.055237569,1.053472522,0.107687935,1.116519708,0.104424513,0.001615561,0.476205418,127,SI,10.1021/acsami.0c13563,2020,2020/8/24,ACS,All Solvent Removed,TRUE,343.8,0.15564895,0.86,weak,
17,2020[Ce][pts]3[ASR]1,am0c15395_si_002_ASR_pacman,-,O=[C]1=NC2=N[C](=NC3=[N]=[C](=O)N=C([N]1)N23)=O.O=[C]1=NC2=N[C](=[N]=C3N2C(=N[C](=O)=N3)[N]1)=O.[Ce] MOFid-v1.pts.cat0;am0c15395_si_002_ASR_pacman,unknown,5.60637,5.50315,5.60637,1.54829,240.121,1562.48,1009.16,0,0,0,898.719,0.5848,0.377707,0,0,0,3,pts-x,unnamed,pts-x,unnamed,1,3,P 4cw 2c,95,Ce,No,N/A,PACMAN-DDEC6,21.07207647,0.582087423,0.008614378,0.622730458,0.010298036,0.683280354,0.009182518,0.001011929,0.275190821,68,SI,10.1021/acsami.0c15395,2020,2020/10/26,ACS,All Solvent Removed,FALSE,466.5,0.83325917,0.83,none,
18,2020[Pr][pts]3[ASR]1,am0c15395_si_003_ASR_pacman,-,O=[C]1=NC2=N[C](=NC3=[N]=[C](=O)N=C([N]1)N23)=O.O=[C]1=NC2=N[C](=[N]=C3N2C(=N[C](=O)=N3)[N]1)=O.[Pr] MOFid-v1.pts.cat0;am0c15395_si_003_ASR_pacman,unknown,5.58275,5.44827,5.58275,1.57041,241.19,1588.35,1011.42,0,0,0,882.853,0.5814,0.370221,0,0,0,3,pts-x,unnamed,pts-x,unnamed,1,3,P 4cw 2c,95,Pr,No,N/A,PACMAN-DDEC6,21.11864412,0.577728378,0.009227135,0.618738894,0.010806024,0.678362484,0.009178908,0.001006341,0.27272388,68,SI,10.1021/acsami.0c15395,2020,2020/10/26,ACS,All Solvent Removed,FALSE,413.6,0.8552604,0.83,none,
19,2020[La][pts]3[ASR]1,am0c15395_si_004_ASR_pacman,-,O=[C]1=NC2=N[C](=[N]=C3N2C(=N[C](=O)=N3)[N]1)=O.O=[C]1=NC2=[N]=[C](=O)N=C3N2C(=N[C](=O)=N3)[N]1.[La] MOFid-v1.pts.cat0;am0c15395_si_004_ASR_pacman,unknown,5.66062,5.50843,5.66062,1.52957,242.71,1565.52,1023.5,0,0,0,907.265,0.5852,0.382591,0,0,0,3,pts-x,unnamed,pts-x,unnamed,1,3,P 4cw 2c,95,La,No,N/A,PACMAN-DDEC6,21.00086882,0.581962201,0.009045175,0.62778567,0.010589254,0.684347227,0.009445969,0.00102385,0.273017438,68,SI,10.1021/acsami.0c15395,2020,2020/10/26,ACS,All Solvent Removed,FALSE,445.5,0.84671533,0.83,superstrong_high_loading,
20,2020[Cu][ant]2[ASR]1,am0c17875_si_002_ASR_pacman,-,N1=C[N]N([CH]1)c1ccc(cc1)C1=NN=N[N]1.[Cu] MOFid-v1.sql.cat1;am0c17875_si_002_ASR_pacman,[Cu1_Type-1].[N][=C][NH0][N][Branch1][Ring2][CH1][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1] MOFid-v2.sql.cat1;am0c17875_si_002_ASR_pacman,4.62691,4.02117,4.6098,1.42679,79.4349,699.404,490.193,0,0,0,455.663,0.4012,0.28119,0,0,0,2,ant,unnamed,ant,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,10.84283733,0.865588829,0.026442707,0.993975553,0.042168014,1.054033053,0.057069653,0.001884442,0.311644361,90,SI,10.1021/acsami.0c17875,2020,2020/12/19,ACS,All Solvent Removed,FALSE,272.2,0.18232733,0.819655172,weak,
21,2020[Cu][tbo]3[ASR]1,am0c18970_si_002_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;am0c18970_si_002_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;am0c18970_si_002_ASR_pacman,13.26988,6.68271,13.26988,0.868078,978.527,2114.26,2435.57,0,0,0,3326.76,0.7188,0.828036,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.741347045,0.012634057,0.812662239,0.025335044,0.86286729,0.032634819,0.001215202,0.380304666,156,SI,10.1021/acsami.0c18970,2020,2020/12/10,ACS,All Solvent Removed,FALSE,324.8,0.950151,0.959392857,weak,
22,2017[Zn][dia]3[ASR]1,am6b11797_si_001_1_ASR_pacman,-,C(Cn1cncc1)CCn1cncc1.[O-]C(=O)c1cc2c(s1)cc1c(c2)sc(c1)C(=O)[O-].[Zn] MOFid-v1.dia.cat0;am6b11797_si_001_1_ASR_pacman,[C2O4Zn1_Type-2].[C][Branch1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][C][N][C][=N][C][=C][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][S][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;am6b11797_si_001_1_ASR_pacman,5.16535,3.80955,5.16535,1.11292,339.661,1069.9,961.347,0,0,0,1715.61,0.5404,0.485571,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-C 2y,12,Zn,Yes,Zn,PACMAN-DDEC6,10.42966118,0.899554855,0.031350348,1.006193312,0.064939456,1.053915241,0.078616283,0.001543604,0.446293116,204,SI,10.1021/acsami.6b11797,2017,2017/4/18,ACS,All Solvent Removed,FALSE,316.1,0.8972902,0.220003205,weak,
23,2017[Cd][dia]3[ASR]1,am6b14051_si_002_ASR_pacman,-,"COc1cccc(c1[O])[CH][N]NC(=O)c1ccc(cc1)NC(=O)c1ccncc1.[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql,unknown.cat0;am6b14051_si_002_ASR_pacman","[C3Cd2O6_Type-1].[C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][OH0][CH1][NH0][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql,UNKNOWN.cat0;am6b14051_si_002_ASR_pacman",6.82055,4.25216,6.81945,1.00531,1146.61,2017.04,2006.38,0,0,0,3598.37,0.633,0.629655,0,0,0,3,dia,unnamed,dia,unnamed,2,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,11.94970167,0.792218812,0.024357805,0.876453244,0.053983128,0.930954742,0.064642897,0.001387359,0.38096651,288,SI,10.1021/acsami.6b14051,2017,2017/1/26,ACS,All Solvent Removed,FALSE,333.1,0.502957,0.5805,strong,
24,2017[Cd][sql]2[ASR]1,am6b14554_si_003_2_ASR_pacman,-,[Cd].[O-]C(=O)Cc1ccc(cc1)CC(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.sql.cat1;am6b14554_si_003_2_ASR_pacman,unknown,4.39877,3.53847,4.39194,1.35224,476.281,785.87,581.162,0,0,0,2699.37,0.4454,0.32938,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 2ac 2ab,19,Cd,No,N/A,PACMAN-DDEC6,10.45605424,0.870668593,0.03369902,0.965202842,0.064013523,1.025555032,0.074976142,0.001548864,0.411706289,472,SI,10.1021/acsami.6b14554,2017,2017/1/12,ACS,All Solvent Removed,FALSE,316.4,0.90758246,0.577058824,weak,
25,2017[Cd][sql]2[ASR]2,am6b14554_si_003_3_ASR_pacman,-,[Cd].[O-]C(=O)Cc1ccc(cc1)CC(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.sql.cat1;am6b14554_si_003_3_ASR_pacman,unknown,4.40252,3.44314,4.30991,1.32725,622.755,1008.57,759.891,0,0,0,2821.81,0.457,0.34432,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cd,No,N/A,PACMAN-DDEC6,10.45605424,0.869772983,0.033235584,0.964479358,0.063114154,1.023703743,0.073448785,0.001539308,0.413894366,472,SI,10.1021/acsami.6b14554,2017,2017/1/12,ACS,All Solvent Removed,FALSE,321.5,0.92933965,0.557058824,weak,
26,2017[Ni][sqc]3[ASR]1,am7b01758_si_002_ASR_pacman,-,[Ni].[O-]C(=O)c1cc(Oc2ccc(cc2)c2cc(nc(c2)c2ccncc2)c2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.unknown.cat1;am7b01758_si_002_ASR_pacman,[C2Ni1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat1;am7b01758_si_002_ASR_pacman,4.85428,3.67505,4.84574,1.20986,342.514,571.15,472.081,0,0,0,2838.94,0.4734,0.391286,0,0,0,3,sqc2075,unnamed,unnamed,unnamed,2,3,-I 2b 2c,73,Ni,Yes,Ni,PACMAN-DDEC6,9.930105091,0.915259462,0.032487095,1.030832076,0.066519395,1.077779579,0.076528593,0.001625201,0.439136633,440,SI,10.1021/acsami.7b01758,2017,2017/5/9,ACS,All Solvent Removed,FALSE,392.8,0.4113676,0.69,superstrong_high_loading,
27,2017[Zn][apo]3[ASR]1,am7b04265_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)P(=O)(c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.apo.cat0;am7b04265_si_002_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.apo.cat0;am7b04265_si_002_ASR_pacman,6.62246,3.70658,6.57591,1.12099,712.284,1268.88,1131.93,0,0,0,3141.31,0.5596,0.499202,0,0,0,3,apo,unnamed,apo,unnamed,1,3,-P 2n 2ab,60,Zn,No,N/A,PACMAN-DDEC6,11.0157554,0.873274242,0.030188435,0.98667376,0.056384359,1.034053703,0.073829329,0.001607795,0.401939122,344,SI,10.1021/acsami.7b04265,2017,2017/6/1,ACS,All Solvent Removed,TRUE,397.1,0.92216027,0.58,weak,
28,2017[In][nan]3[ASR]1,am7b09227_si_002_ASR_pacman,-,O[In][OH][In][OH][In]O.[O-]C(=O)c1ccc(cc1)P(=O)(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;am7b09227_si_002_ASR_pacman,[C6H4In3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am7b09227_si_002_ASR_pacman,5.47137,3.17727,5.46697,1.36058,0,0,0,269.961,901.318,662.45,1589.84,0.5308,0.390127,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,In,No,N/A,PACMAN-DDEC6,13.19421983,0.764805521,0.022800098,0.854805686,0.042786434,0.890170194,0.052860216,0.001253647,0.397817449,186,SI,10.1021/acsami.7b01758,2017,2017/5/9,ACS,All Solvent Removed,FALSE,292.3,0.34399748,0.85,strong_high_loading,
29,2017[Cd][pcu]3[ASR]1,am7b10420_si_002_ASR_pacman,-,COc1cccc(c1[O])[CH][N]NC(=O)c1cccnc1.[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am7b10420_si_002_ASR_pacman,[C6Cd3O12_Type-1].[Cd1_Type-1].[C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][OH0][CH1][NH0][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;am7b10420_si_002_ASR_pacman,6.99462,3.97878,6.99462,1.22425,696.044,1608.73,1314.06,0,0,0,2568.3,0.5936,0.484868,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,13.63185162,0.714310366,0.019248922,0.793190353,0.043090249,0.844550479,0.054572528,0.001302401,0.328176669,234,SI,10.1021/acsami.7b10420,2017,2017/8/17,ACS,All Solvent Removed,FALSE,271.1,0.6999017,0.670293594,strong,
30,2017[Co][nan]3[ASR]1,am7b10757_si_002_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.unknown.cat1;am7b10757_si_002_ASR_pacman,unknown,8.58796,4.10545,8.57134,0.898646,2179.12,1777.65,1978.14,0.141447,0.115388,0.128402,7663.98,0.6252,0.695713,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,"-R 3 2""c",167,Co,Yes,Co,PACMAN-DDEC6,10.53001014,0.882471477,0.034994871,0.986895682,0.064529448,1.039410149,0.077974333,0.001569387,0.420307084,630,SI,10.1021/acsami.7b10757,2017,2017/10/30,ACS,All Solvent Removed,FALSE,424.6,0.803469,0.779765063,weak,
31,2017[Zn][sql]2[ASR]1,am7b10884_si_003_ASR_pacman,-,O=C1Nc2cc(ccc2-c2c(N1)cc(cc2)C(=O)[O-])C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat3;am7b10884_si_003_ASR_pacman,[C4O8Zn2_Type-1].[O][=C][N][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Ring2][N][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat3;am7b10884_si_003_ASR_pacman,10.47983,6.30167,10.43971,0.652027,1795.02,2436.32,3736.53,0,0,0,5491.93,0.7454,1.1432,0,0,0,2,sql,unnamed,sql,unnamed,4,3,P 2yb,4,Zn,Yes,Zn,PACMAN-DDEC6,11.66498129,0.839143923,0.025326073,0.942949673,0.035506286,1.010271916,0.05470914,0.00171128,0.331840527,248,SI,10.1021/acsami.7b10884,2017,2017/10/13,ACS,All Solvent Removed,FALSE,337.3,0.5222111,0.55,weak,
32,2017[Zn][pcu]3[ASR]1,am7b10884_si_005_ASR_pacman,-,O=C1Nc2cc(ccc2-c2c(N1)cc(cc2)C(=O)[O-])C(=O)[O-].[Zn][Zn].n1ccc(cc1)CCc1ccncc1 MOFid-v1.pcu.cat1;am7b10884_si_005_ASR_pacman,[C4O8Zn2_Type-1].[O][=C][N][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Ring2][N][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;am7b10884_si_005_ASR_pacman,8.64973,6.50826,8.64973,0.845633,645.149,1810.16,2140.6,0,0,0,2312.35,0.6488,0.767236,0,0,0,3,pcu,unnamed,pcu,unnamed,2,2,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.31211273,0.891609488,0.030518522,1.020932511,0.046181804,1.087883676,0.061058653,0.001962742,0.313182235,176,SI,10.1021/acsami.7b10884,2017,2017/10/13,ACS,All Solvent Removed,TRUE,323.9,0.755684,0.568968519,weak,
33,2018[Zn][nan]3[ASR]1,am7b17755_si_002_ASR_pacman,-,"[N]1[CH]C=C(C=C1)c1ccc(cc1)C(=C(c1ccc(cc1)C1=C[CH][N]C=C1)c1ccc(cc1)C1=C[CH][N]C=C1)c1ccc(cc1)C1=C[CH][N]C=C1.[O-]C(=O)c1cccc(c1)C(=O)[O-].[Zn] MOFid-v1.eta,ERROR.cat0;am7b17755_si_002_ASR_pacman","[C2O4Zn1_Type-1].[NH0][CH1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][CH1][NH0][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][CH1][NH0][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][CH1][NH0][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.eta,ERROR.cat0;am7b17755_si_002_ASR_pacman",7.98999,5.66524,7.98999,0.867685,1181.92,1871.83,2157.27,0,0,0,3841.6,0.6084,0.701176,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 64 2c (0 0 -1),181,Zn,No,N/A,PACMAN-DDEC6,9.480715517,0.9204391,0.041993292,1.032843084,0.076477542,1.085437649,0.090316683,0.001649985,0.435411689,348,SI,10.1021/acsami.7b17755,2018,2018/1/30,ACS,All Solvent Removed,TRUE,unknown,unknown,unknown,weak,
34,2018[Cd][nan]3[ASR]2,am7b17755_si_003_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].n1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;am7b17755_si_003_ASR_pacman,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;am7b17755_si_003_ASR_pacman,13.19619,10.16926,13.18151,0.888712,1256.88,1299.64,1462.39,0.141681,0.146501,0.164847,6129.46,0.6338,0.713167,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,C -2yc,9,Cd,No,N/A,PACMAN-DDEC6,10.10892469,0.857492128,0.038944966,0.953046195,0.074411616,1.009324848,0.081066705,0.001518327,0.408539869,512,SI,10.1021/acsami.7b17755,2018,2018/1/30,ACS,All Solvent Removed,TRUE,304.6,0.3882417,0.87,weak,
35,2018[Cd][nan]3[ASR]3,am7b17755_si_004_ASR_pacman,-,[Cd].[N]1C=C[C](C=C1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccncc1)c1ccc(cc1)[C]1C=C[N]C=C1)c1ccc(cc1)c1ccncc1.[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].n1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;am7b17755_si_004_ASR_pacman,[C4Cd2O8_Type-1].[NH0][C][=C][CH0][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][C][=C][NH0][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;am7b17755_si_004_ASR_pacman,11.83106,10.92247,11.83106,0.700989,2232.09,1820.5,2597.05,0,0,0,8626.73,0.7036,1.00373,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Cd,No,N/A,PACMAN-DDEC6,10.10892469,0.841450517,0.042529874,0.935059305,0.075699261,0.987036597,0.082817574,0.001455861,0.411630856,512,SI,10.1021/acsami.7b17755,2018,2018/1/30,ACS,All Solvent Removed,TRUE,347.9,0.5486336,0.827692308,weak,
36,2018[Fe][sql]2[ASR]1,am7b18620_si_002_ASR_pacman,-,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;am7b18620_si_002_ASR_pacman,[C6Fe3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;am7b18620_si_002_ASR_pacman,6.86695,4.28377,6.86695,1.17018,588.659,1531.58,1308.85,0,0,0,2209.99,0.575,0.491379,0,0,0,2,sql,unnamed,sql,unnamed,1,2,-P 1,2,Fe,Yes,Fe,PACMAN-DDEC6,12.42417172,0.852315278,0.016101488,0.966888767,0.030079699,1.028864162,0.041619452,0.001765489,0.331434975,218,SI,10.1021/acsami.7b18620,2018,2018/2/2,ACS,All Solvent Removed,FALSE,353.6,0.9402907,0.648,weak,
37,2018[Co][nia]3[ASR]1,am7b19323_si_002_ASR_pacman,-,"[Co][O]([Co])[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.nia-d,acs.cat0;am7b19323_si_002_ASR_pacman",unknown,8.93138,4.66988,8.7274,0.872025,841.918,2216.23,2541.47,0,0,0,2493.58,0.6564,0.75273,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Co,No,N/A,PACMAN-DDEC6,11.33490847,0.875254816,0.028567313,0.976702598,0.055947283,1.029241767,0.069121111,0.00153987,0.4214454,176,SI,10.1021/acsami.7b19323,2018,2018/4/18,ACS,All Solvent Removed,TRUE,319.6,0.8154364,0.63,weak,
38,2018[Co][nan]3[ASR]1,am8b02714_si_001_ASR_pacman,-,[Co].[O-]C(=O)c1cc(OCc2ccncc2)cc(c1)C(=O)[O-].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1 MOFid-v1.unknown.cat0;am8b02714_si_001_ASR_pacman,[C4Co2O8_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;am8b02714_si_001_ASR_pacman,9.68124,5.2532,9.66304,1.03176,1620.14,1425.76,1381.86,45.3759,39.9318,38.7024,6327.11,0.5568,0.539658,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2n 2ab,60,Co,No,N/A,PACMAN-DDEC6,9.972401582,0.941612166,0.031451379,1.060830708,0.042962104,1.1288977,0.054623218,0.001872855,0.388280823,708,SI,10.1021/acsami.8b02714,2018,2018/6/20,ACS,All Solvent Removed,TRUE,368.5,0.9441674,0.88,weak,
39,2018[Cd][nan]3[ASR]4,am8b06339_si_002_ASR_pacman,-,unknown,unknown,6.41846,3.35195,6.41846,1.28977,294.061,1425.26,1105.05,0,0,0,1139.31,0.5522,0.428138,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 -2d,43,Cd,No,N/A,PACMAN-DDEC6,13.354334,0.741418192,0.024052247,0.848231625,0.036127045,0.900724331,0.045499932,0.001593061,0.272553229,120,SI,10.1021/acsami.8b06339,2018,2018/6/29,ACS,All Solvent Removed,TRUE,431.6,0.7023022,0.7,unknown,
40,2018[Zr][nan]3[ASR]1,am8b09333_si_004_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc2c(cc1c1ccc(cc1)C(=O)[O-])c1cc(c3ccc(cc3)C(=O)[O-])c(cc1c1c2cc(c2ccc(cc2)C(=O)[O-])c(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;am8b09333_si_004_ASR_pacman,unknown,12.90854,5.36266,12.90854,0.847475,7146.78,2049.38,2418.22,0,0,0,23832.1,0.6834,0.806395,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4acd 2ab 3,212,Zr,Yes,Zr,PACMAN-DDEC6,12.42849732,0.808164269,0.024118784,0.886940336,0.043864487,0.94578534,0.052800946,0.001376211,0.398622899,1432,SI,10.1021/acsami.8b09333,2018,2018/7/25,ACS,All Solvent Removed,FALSE,372.4,0.77067286,0.96,none,
41,2018[Zr][nan]3[ASR]2,am8b09333_si_005_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc2c(cc1c1ccc(cc1)C(=O)[O-])c1cc(c3ccc(cc3)C(=O)[O-])c(cc1c1c2cc(c2ccc(cc2)C(=O)[O-])c(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;am8b09333_si_005_ASR_pacman,unknown,13.22909,5.54535,13.22909,0.833978,7309.09,2062.55,2473.14,0,0,0,24359.5,0.6874,0.824242,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4acd 2ab 3,212,Zr,Yes,Zr,PACMAN-DDEC6,12.42849732,0.806486273,0.02338383,0.881665697,0.041728294,0.946145516,0.05216951,0.001396592,0.389291812,1432,SI,10.1021/acsami.8b09333,2018,2018/7/25,ACS,All Solvent Removed,FALSE,373.2,0.7670455,0.97,none,
42,2018[Zn][vtx]3[ASR]1,am8b15894_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn][Zn].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1 MOFid-v1.unknown.cat0;am8b15894_si_002_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;am8b15894_si_002_ASR_pacman,3.21704,2.44664,3.21645,1.43499,0,0,0,0,0,0,1527,0.4222,0.294217,0,0,0,3,vtx,unnamed,vtx,unnamed,2,3,P 4n -1n,86,Zn,Yes,Zn,PACMAN-DDEC6,10.48789946,0.897625872,0.033213443,1.024599165,0.046580531,1.085502984,0.063086289,0.001878771,0.345006122,298,SI,10.1021/acsami.8b15894,2018,2018/11/8,ACS,All Solvent Removed,TRUE,394.2,0.618411,0.584076923,superweak,
43,2019[In][bpq]3[ASR]1,am8b18206_si_002_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cc1)C#Cc1c2ccccc2c(c2c1cccc2)C#Cc1ccc(cc1)C(=O)[O-].[O] MOFid-v1.rna.cat0;am8b18206_si_002_ASR_pacman,[In1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;am8b18206_si_002_ASR_pacman,6.12588,5.63641,6.12588,1.14337,164.918,953.777,834.178,0,0,0,933.717,0.54,0.472287,0,0,0,3,bpq,unnamed,rna,unnamed,2,3,-C 2y,12,In,No,N/A,PACMAN-DDEC6,11.02378593,0.837208214,0.030762313,0.933264987,0.058856644,0.99019385,0.071931598,0.001529856,0.384772621,108,SI,10.1021/acsami.8b18206,2019,2019/1/10,ACS,All Solvent Removed,TRUE,330.9,0.4607978,0.797104072,superstrong_high_loading,
44,2019[Mg][nan]3[ASR]1,am8b20450_si_003_ASR_pacman,-,[Mg].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_003_ASR_pacman,[Mg3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_003_ASR_pacman,11.62878,10.82918,11.62878,0.910088,211.935,1595.26,1752.87,0,0,0,872.578,0.6568,0.721688,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Mg,Yes,Mg,PACMAN-DDEC6,13.48377111,0.816077595,0.02779412,0.977874194,0.020028374,1.051534304,0.028419729,0.002354567,0.124396883,54,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,430.4,0.69754934,0.2,strong,
45,2019[Mg][nan]3[ASR]2,am8b20450_si_004_ASR_pacman,-,[Mg].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_004_ASR_pacman,[Mg6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_004_ASR_pacman,11.79429,10.71838,11.79358,0.912446,1237.86,1556.94,1706.34,0,0,0,5180.59,0.6516,0.714124,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Mg,Yes,Mg,PACMAN-DDEC6,13.48377111,0.816458459,0.02688509,0.978489169,0.020097477,1.052877702,0.027930777,0.002364192,0.12180776,324,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,420.5,0.7883661,0.09,strong_high_loading,
46,2019[Mg][nan]3[ASR]3,am8b20450_si_005_ASR_pacman,-,[Mg].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_005_ASR_pacman,[Mg3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_005_ASR_pacman,11.57367,10.78479,11.57367,0.929735,202.223,1555.02,1672.54,0,0,0,850.238,0.6538,0.703211,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Mg,Yes,Mg,PACMAN-DDEC6,13.48377111,0.81906766,0.026546629,0.979602183,0.020436941,1.053906951,0.027927926,0.002348393,0.128921414,54,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,432.3,0.6840771,0.2,strong,
47,2019[Co][nan]3[ASR]1,am8b20450_si_007_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_007_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_007_ASR_pacman,11.42442,10.86245,11.42442,1.17375,203.482,1536.84,1309.34,0,0,0,850.029,0.642,0.546964,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.706711622,0.006690796,0.781273269,0.013812546,0.832805681,0.016265535,0.001260941,0.332267651,54,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,230.4,0.9368019,0.180285714,weak,
48,2019[Co][nan]3[ASR]2,am8b20450_si_009_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_009_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_009_ASR_pacman,11.31681,10.86182,11.31617,1.18734,202.924,1550.36,1305.74,0,0,0,838.732,0.6408,0.539695,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.709648722,0.006910218,0.783512559,0.013817209,0.835317982,0.016012371,0.001256693,0.336317342,54,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,230.6,0.9354308,0.180285714,weak,
49,2019[Ni][nan]3[ASR]1,am8b20450_si_011_ASR_pacman,-,[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_011_ASR_pacman,[Ni3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_011_ASR_pacman,11.61966,10.85724,11.61966,1.19871,202.476,1564.17,1304.87,0,0,0,844.77,0.6526,0.544418,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Ni,Yes,Ni,PACMAN-DDEC6,17.30470444,0.7016782,0.009304289,0.776575549,0.013470982,0.826442283,0.017319132,0.001247641,0.331557721,54,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,323.9,0.9353369,0.444042328,weak,
50,2019[Ni][nan]3[ASR]2,am8b20450_si_012_ASR_pacman,-,[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_012_ASR_pacman,unknown,9.15112,3.85127,9.15112,1.42689,342.312,1312.39,919.753,0,0,0,1394.41,0.5346,0.374661,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Ni,Yes,Ni,PACMAN-DDEC6,13.34116143,0.797974718,0.020889435,0.900484868,0.024611263,0.961890245,0.024890737,0.001639155,0.313078935,168,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,233.5,0.95792305,0.708666667,weak,
51,2019[Ni][nan]3[ASR]3,am8b20450_si_013_ASR_pacman,-,[Ni].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;am8b20450_si_013_ASR_pacman,[Ni3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am8b20450_si_013_ASR_pacman,11.54467,10.75662,11.54467,1.20772,200.817,1563.02,1294.18,0,0,0,836.153,0.6508,0.538864,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Ni,Yes,Ni,PACMAN-DDEC6,17.30470444,0.702325004,0.010301301,0.771920761,0.013845075,0.822923803,0.018224271,0.001205988,0.343627395,54,SI,10.1021/acsami.8b20450,2019,2019/1/22,ACS,All Solvent Removed,FALSE,325.3,0.93412477,0.444042328,weak,
52,2019[La][pcu]3[ASR]1,am9b04619_si_002_ASR_pacman,-,[La].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_002_ASR_pacman,unknown,4.5927,3.82984,4.55891,1.63094,134.22,690.754,423.531,0,0,0,882.163,0.454,0.278367,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,La,No,N/A,PACMAN-DDEC6,14.45794212,0.738011511,0.016906183,0.815533801,0.036787438,0.855292662,0.043382386,0.001172811,0.392461968,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,TRUE,365,0.38004228,0.89962963,weak,
53,2019[Nd][pcu]3[ASR]1,am9b04619_si_003_ASR_pacman,-,[Nd].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_003_ASR_pacman,unknown,4.77313,3.82049,4.75915,1.65695,154.186,797.254,481.157,0,0,0,883.437,0.4568,0.275687,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Nd,No,N/A,PACMAN-DDEC6,14.61965515,0.722753335,0.018278217,0.803244313,0.03857594,0.842451423,0.044482735,0.001196981,0.370539713,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,FALSE,362.3,0.36640453,0.86962963,strong,
54,2019[Lu][pcu]3[ASR]1,am9b04619_si_004_ASR_pacman,-,[Lu].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_004_ASR_pacman,unknown,4.77627,3.78793,4.76976,1.83876,146.565,790.64,429.986,0,0,0,831.591,0.4486,0.243969,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Lu,No,N/A,PACMAN-DDEC6,15.5507097,0.674790663,0.018738475,0.748187614,0.037579076,0.787846678,0.042950666,0.00113056,0.341245599,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,FALSE,350.8,0.38430324,0.65,weak,
55,2019[La][pcu]3[ASR]2,am9b04619_si_005_ASR_pacman,-,[La].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_005_ASR_pacman,unknown,4.50005,3.66343,4.49205,1.65025,117.223,610.42,369.896,0,0,0,853.792,0.4446,0.269414,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,La,No,N/A,PACMAN-DDEC6,14.45794212,0.737440022,0.01725623,0.821703846,0.036529892,0.857811669,0.042742917,0.001203716,0.384351077,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,FALSE,344.7,0.60322773,0.79962963,strong,
56,2019[Dy][pcu]3[ASR]1,am9b04619_si_007_ASR_pacman,-,[Dy].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_007_ASR_pacman,unknown,4.38092,3.53647,4.37707,1.84481,93.334,517.724,280.638,0,0,0,771.227,0.4278,0.231893,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Dy,No,N/A,PACMAN-DDEC6,15.17292788,0.692870545,0.01859112,0.7683722,0.037864378,0.809539547,0.042609201,0.00116669,0.348585924,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,FALSE,372.3,0.44408596,0.76,strong,
57,2019[Lu][pcu]3[ASR]2,am9b04619_si_008_ASR_pacman,-,[Lu].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_008_ASR_pacman,unknown,4.40729,3.54257,4.35095,1.90166,99.3783,554.434,291.553,0,0,0,774.329,0.432,0.22717,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Lu,No,N/A,PACMAN-DDEC6,15.5507097,0.674624901,0.018717323,0.74757889,0.037193482,0.78827682,0.04149754,0.001136519,0.339045152,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,FALSE,346,0.5058015,0.64,strong,
58,2019[Nd][pcu]3[ASR]2,am9b04619_si_009_ASR_pacman,-,[Nd].[O-][n+]1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;am9b04619_si_009_ASR_pacman,unknown,4.43748,3.62609,4.43354,1.7168,105.567,565.571,329.434,0,0,0,792.911,0.4248,0.247437,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Nd,No,N/A,PACMAN-DDEC6,14.61965515,0.721648437,0.017693569,0.801096749,0.037927194,0.841837313,0.044696106,0.001201889,0.367533101,132,SI,10.1021/acsami.9b04619,2019,2019/6/11,ACS,All Solvent Removed,FALSE,350.1,0.62468296,0.81962963,weak,
59,2019[Co][nan]3[ASR]3,am9b05655_si_002_ASR_pacman,-,[Co]O[Co].[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)[O-])N1[N]C=N[CH]1.n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;am9b05655_si_002_ASR_pacman,[C4Co2O9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][NH0][C][=N][CH1][Ring1][Branch1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;am9b05655_si_002_ASR_pacman,9.90886,6.495,9.90886,0.766859,2566.26,2117.89,2761.77,0,0,0,8142.67,0.672,0.876302,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Co,No,N/A,PACMAN-DDEC6,10.02821065,0.910999683,0.035094476,1.01420325,0.066617522,1.068231563,0.074322193,0.001572319,0.447499921,558,SI,10.1021/acsami.9b05655,2019,2019/5/14,ACS,All Solvent Removed,TRUE,360.8,0.761639,0.746666667,weak,
60,2019[Co][jaj]3[ASR]1,am9b13655_si_002_ASR_pacman,-,[Co].[Co][Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.jaj.cat0;am9b13655_si_002_ASR_pacman,unknown,7.27861,5.1706,7.25898,0.938994,990.867,2090.29,2226.1,0,0,0,3061.3,0.6458,0.687757,0,0,0,3,jaj,unnamed,jaj,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,13.4026505,0.810739589,0.014726142,0.902250768,0.036801283,0.951933987,0.045420169,0.001411944,0.394127723,200,SI,10.1021/acsami.9b13655,2019,2019/11/22,ACS,All Solvent Removed,FALSE,341.8,0.80769855,0.669285714,strong,
61,2019[Fe][fmz]3[ASR]1,am9b17492_si_002_ASR_pacman,-,unknown,[C6Fe3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fmz.cat0;am9b17492_si_002_ASR_pacman,13.8077,5.81778,13.77407,0.564564,3664.23,2301.5,4076.61,0,0,0,12256,0.7698,1.36353,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Fe,Yes,Fe,PACMAN-DDEC6,11.276891,0.854668445,0.034169095,0.935225643,0.053468019,0.998597039,0.067068965,0.001439286,0.425746967,480,SI,10.1021/acsami.9b17492,2019,2019/12/16,ACS,All Solvent Removed,FALSE,368.1,0.6230474,0.44,weak,
62,2019[Zr][pts]3[ASR]1,am9b17569_si_001_ASR_pacman,-,"[O]c1cc(cc(c1[O])[O])C1=C2C=CC(=N2)C=c2ccc(=C(C3=NC(=Cc4[nH]c1cc4)C=C3)c1cc([O])c(c(c1)[O])[O])[nH]2.[Zr] MOFid-v1.pts,dmd.cat0;am9b17569_si_001_ASR_pacman","[Zr2_Type-1].[OH0][C][=C][C][=Branch1][#Branch2][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][OH0][OH0][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=C][C][=Branch2][Ring2][#Branch2][=C][Branch2][Ring1][Branch1][C][=N][C][=Branch1][N][=C][C][NH1][C][Ring2][Ring1][Ring1][=C][C][=Ring1][Branch1][C][=C][Ring1][O][C][=C][C][Branch1][C][OH0][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][OH0][OH0][NH1][Ring2][Ring1][#Branch2] MOFid-v2.pts,dmd.cat0;am9b17569_si_001_ASR_pacman",5.14326,4.66746,5.14326,1.53864,76.2975,549.118,356.886,0,0,0,508.54,0.366,0.237873,0,0,0,3,pts-x,unnamed,sqc958,unnamed,1,3,-C 2 2c,66,Zr,No,N/A,PACMAN-DDEC6,10.91045153,0.836812615,0.007950926,0.971181868,0.007127869,1.087908603,0.005335577,0.00251096,0.086465072,118,SI,10.1021/acsami.9b17569,2019,2019/11/12,ACS,All Solvent Removed,FALSE,370.6,0.9320804,0.65,strong,
63,0000[Zn][nan]3[ASR]1,am9b19583_si_001_ASR_pacman,-,[O-]C(=O)c1cc(OCc2ccc(cc2)C(=O)[O-])cc(c1)OCc1ccc(cc1)C(=O)[O-].[OH].[Zn] MOFid-v1.unknown.cat0;am9b19583_si_001_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][P][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;am9b19583_si_001_ASR_pacman,7.23448,6.45356,7.23448,1.3658,241.607,875.967,641.36,0,0,0,1322.27,0.4794,0.351004,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.3425548,0.858531925,0.025156031,0.957253367,0.052417385,1.014543028,0.061195799,0.001560111,0.397403917,200,SI,10.1021/acsami.9b19583,unknown,unknown,ACS,All Solvent Removed,FALSE,391.7,0.19375464,0.59,strong,
64,2020[Zn][nan]3[ASR]3,am9b19583_si_002_ASR_pacman,-,unknown,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][P][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] MOFid-v2.UNKNOWN.cat0;am9b19583_si_002_ASR_pacman,4.97041,4.59756,4.96557,1.48054,107.57,493.601,333.393,0,0,0,832.923,0.3822,0.258149,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2c -2n,33,Zn,No,N/A,PACMAN-DDEC6,10.11975708,0.917826655,0.033377587,1.037432382,0.045228462,1.112312278,0.054995781,0.001944856,0.34182409,192,SI,10.1021/acsami.9b19583,2020,2020/1/17,ACS,All Solvent Removed,TRUE,unknown,unknown,unknown,weak,
65,2019[La][sql]2[ASR]1,am9b20184_si_003_ASR_pacman,-,[O-]C(=O)CN(CC(=O)[O-])CCCN(CC(=O)[O-])CC(=O)[O-].[OH2][La] MOFid-v1.unknown.cat0;am9b20184_si_003_ASR_pacman,[La2_Type-1].[O-1][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am9b20184_si_003_ASR_pacman,4.2387,3.0724,4.03618,1.62617,0,0,0,63.6281,169.633,104.315,1605.4,0.428,0.263196,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 4ab -1ab,85,La,No,N/A,PACMAN-DDEC6,11.77328744,0.843858876,0.031555971,0.926790632,0.030016643,0.995845969,0.027404055,0.001519871,0.390210333,312,SI,10.1021/acsami.9b20184,2019,2019/12/16,ACS,All Solvent Removed,FALSE,366.9,0.8572078,0.71,none,
66,2019[Ce][sql]2[ASR]1,am9b20184_si_004_ASR_pacman,-,[Ce].[O-]C(=O)CN(CC(=O)[O-])CCCN(CC(=O)[O-])CC(=O)[O-] MOFid-v1.unknown.cat0;am9b20184_si_004_ASR_pacman,[Ce2_Type-1].[O-1][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am9b20184_si_004_ASR_pacman,4.27692,3.02408,4.07564,1.5675,0,0,0,80.6552,215.144,137.253,1749.98,0.4668,0.297799,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 4ab -1ab,85,Ce,Yes,Ce,PACMAN-DDEC6,12.28759611,0.810568988,0.030105779,0.891356404,0.030244231,0.966733125,0.028802644,0.001561641,0.342978359,288,SI,10.1021/acsami.9b20184,2019,2019/12/16,ACS,All Solvent Removed,FALSE,353.1,0.9310524,0.82,none,
67,2019[Nd][sql]2[ASR]1,am9b20184_si_006_ASR_pacman,-,[Nd].[O-]C(=O)CN(CC(=O)[O-])CCCN(CC(=O)[O-])CC(=O)[O-] MOFid-v1.unknown.cat0;am9b20184_si_006_ASR_pacman,[Nd2_Type-1].[O-1][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am9b20184_si_006_ASR_pacman,4.27264,3.02027,4.06736,1.58687,0,0,0,83.0527,222.206,140.028,1705.86,0.4564,0.28761,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 4ab -1ab,85,Nd,Yes,Nd,PACMAN-DDEC6,12.40220722,0.799054368,0.029784384,0.880026319,0.030776203,0.954454413,0.029606772,0.001554,0.333944873,288,SI,10.1021/acsami.9b20184,2019,2019/12/16,ACS,All Solvent Removed,FALSE,331.6,0.9494381,0.74,none,
68,2020[Mn][nan]3[ASR]1,am9b22410_si_002_ASR_pacman,-,O=CN(C)C.[Mn].[O-]C(=O)c1ccc(cc1)C(=C(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;am9b22410_si_002_ASR_pacman,[Mn1_Type-1].[O][=C][N][Branch1][C][C][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;am9b22410_si_002_ASR_pacman,4.70482,3.53716,4.70482,1.2077,201.605,533.247,441.54,67.0941,177.464,146.944,1830.62,0.4842,0.400928,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Mn,Yes,Mn,PACMAN-DDEC6,10.10901632,0.930779645,0.03566798,1.027600553,0.068349941,1.072910651,0.080291056,0.00142131,0.512971766,272,SI,10.1021/acsami.9b22410,2020,2020/1/10,ACS,All Solvent Removed,FALSE,440,0.37047678,0.63,strong,
69,2020[Zn][nan]3[ASR]4,am9b22658_si_002_ASR_pacman,-,[O-]C(=O)c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-].[Zn].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1 MOFid-v1.unknown.cat1;am9b22658_si_002_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat1;am9b22658_si_002_ASR_pacman,4.90477,2.92555,4.42535,1.3228,0,0,0,277.738,468.829,354.422,2746.41,0.4636,0.350469,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,10.44035522,0.909609316,0.028233388,1.024553692,0.059127149,1.073208533,0.071407593,0.001635992,0.429859923,452,SI,10.1021/acsami.9b22658,2020,2020/2/3,ACS,All Solvent Removed,TRUE,349.6,0.8912909,0.51,none,
70,2020[Cd][pcu]3[ASR]1,am9b22658_si_003_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-].n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1 MOFid-v1.pcu.cat1;am9b22658_si_003_ASR_pacman,[C4Cd2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;am9b22658_si_003_ASR_pacman,8.07622,7.49538,8.06653,1.17602,922.306,1281.94,1090.06,0,0,0,3932.57,0.5466,0.464786,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-I 2b 2c,73,Cd,No,N/A,PACMAN-DDEC6,11.2727623,0.840015372,0.028720571,0.933690485,0.058202731,0.985704731,0.064547368,0.001456894,0.409890769,452,SI,10.1021/acsami.9b22658,2020,2020/2/3,ACS,All Solvent Removed,TRUE,320.6,0.920421,0.743888889,none,
71,2020[Cu][eea]3[ASR]1,an0c00162_si_002_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(c[n+](c1)[O-])C(=O)[O-] MOFid-v1.eea.cat0;an0c00162_si_002_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch2][=C][N+1][=Branch1][Ring2][=C][Ring1][=Branch1][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.eea.cat0;an0c00162_si_002_ASR_pacman,7.85306,5.37338,7.85306,1.17921,391.237,1892.73,1605.08,0,0,0,1241.06,0.6004,0.509153,0,0,0,3,eea,unnamed,eea,unnamed,1,3,"-R 3 2""",166,Cu,No,N/A,PACMAN-DDEC6,14.39108353,0.788184256,0.011373533,0.875154045,0.021424521,0.929915969,0.029871737,0.001417317,0.368357094,102,SI,10.1021/acsanm.0c00162,2020,2020/2/26,ACS,All Solvent Removed,TRUE,217.4,0.7611994,0.53,weak,
72,2018[Zn][sql]2[ASR]1,an8b01469_si_002_ASR_pacman,-,"CCN(C1=C[CH]C2=C(c3c(OC2=C1)cc(cc3)N(CC)CC)c1ccccc1C(=O)[O-])CC.CCN(C1=C[C]2C(=C(c3c(O2)cc(cc3)N(CC)CC)c2ccccc2C(=O)[O-])C=C1)CC.Cc1cc(c2cc(cc(c2)C(=O)[O-])C(=O)[O-])c(c(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])N.[Zn] MOFid-v1.sql,bex.cat1;an8b01469_si_002_ASR_pacman",unknown,7.0133,4.3484,7.01043,1.00765,1891.64,1428.16,1417.31,0,0,0,7377.64,0.557,0.552769,0,0,0,2,sql,unnamed,bex,unnamed,2,3,-P 2ac 2ab,61,Zn,Yes,Zn,PACMAN-DDEC6,9.133278364,0.961893876,0.042418879,1.075661575,0.065567531,1.167508947,0.059583139,0.002056151,0.348702052,880,SI,10.1021/acsanm.8b01469,2018,2018/9/20,ACS,All Solvent Removed,FALSE,314.1,0.8336798,0.87,strong,
73,2024[Ni][sql]2[ASR]1,anie202316792-sup-0001-ntu-88_ASR_pacman,-,Cl[Ni]Cl.n1ccc(cc1)Nc1ccncc1 MOFid-v1.sql.cat1;anie202316792-sup-0001-ntu-88_ASR_pacman,[Cl2Ni1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;anie202316792-sup-0001-ntu-88_ASR_pacman,6.35552,4.69168,5.58877,0.886769,745.532,2108.73,2377.99,0,0,0,2170.77,0.614,0.692401,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Ni,No,N/A,PACMAN-DDEC6,10.04247915,0.887967142,0.046758507,0.993344885,0.090428369,1.030027358,0.097260912,0.001420602,0.4732357,188,SI,10.1002/anie.202316792,2024,2024/11/13,WILEY,All Solvent Removed,TRUE,379.4,0.91945195,0.51,weak,
74,2024[Ni][sql]2[ASR]2,anie202316792-sup-0001-ntu-88o-c3h4_ASR_pacman,-,Cl[Ni]Cl.n1ccc(cc1)Nc1ccncc1 MOFid-v1.sql.cat0;anie202316792-sup-0001-ntu-88o-c3h4_ASR_pacman,[Cl2Ni1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;anie202316792-sup-0001-ntu-88o-c3h4_ASR_pacman,3.56183,2.64337,3.56183,1.32559,0,0,0,5.67585,47.9971,36.2081,498.559,0.4216,0.318047,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2n 2ab,60,Ni,No,N/A,PACMAN-DDEC6,10.04247915,0.922843897,0.009209842,1.061163915,0.011554016,1.167264614,0.009114901,0.002444207,0.194951627,94,SI,10.1002/anie.202316792,2024,2024/11/13,WILEY,All Solvent Removed,FALSE,339.1,0.9493488,0.7,weak,
75,2020[Mn][sql]2[ASR]1,ao0c01194_si_002_ASR_pacman,-,unknown,[C6Mn3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;ao0c01194_si_002_ASR_pacman,7.77432,5.11538,6.8875,1.00775,237.275,1562.74,1550.72,0,0,0,876.38,0.5772,0.572761,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Mn,Yes,Mn,PACMAN-DDEC6,11.10165898,0.879750948,0.02864379,0.975360524,0.055574286,1.030496892,0.06793555,0.001507459,0.434258652,83,SI,10.1021/acsomega.0c01194,2020,2020/6/24,ACS,All Solvent Removed,FALSE,388.3,0.788162,0.568709677,strong,
76,2020[Cd][sql]2[ASR]1,ao0c01194_si_003_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccncc1 MOFid-v1.sql.cat0;ao0c01194_si_003_ASR_pacman,[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;ao0c01194_si_003_ASR_pacman,7.73712,5.42002,7.73712,1.1815,238.745,1552.95,1314.38,0,0,0,909.508,0.5916,0.500718,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,13.1789947,0.73484076,0.025151861,0.830971956,0.039695289,0.887444248,0.052460061,0.001526035,0.283640114,83,SI,10.1021/acsomega.0c01194,2020,2020/6/24,ACS,All Solvent Removed,FALSE,339.9,0.8014999,0.664038462,weak,
77,2018[Cu][nan]2[ASR]1,ao7b01964_si_002_ASR_pacman,-,C(Cc1ccncc1)Cc1ccncc1.[Cu].[O-]C(=O)c1cc(OCC=CCOc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-] MOFid-v1.unknown.cat1;ao7b01964_si_002_ASR_pacman,[C2Cu1O4_Type-1].[C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=N][O][C][C][=C][C][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat1;ao7b01964_si_002_ASR_pacman,5.4856,3.48036,5.39283,1.01468,917.158,1235.3,1217.43,0,0,0,4013.72,0.5406,0.532778,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,8.657910382,0.988363577,0.05427031,1.090198393,0.096897912,1.13238781,0.100301672,0.001440242,0.566231777,524,SI,10.1021/acsomega.7b01964,2018,2018/2/19,ACS,All Solvent Removed,FALSE,386.8,0.6951441,0.673745455,unknown,
78,2018[Eu][nan]3[ASR]1,ao8b00199_si_002_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc(cc1)N[C]1NC(=NC(=N1)Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)N[C]1N[C](Nc2ccc(cc2)C(=O)[O-])N=[C](=N1)[N]c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;ao8b00199_si_002_ASR_pacman,unknown,9.93484,8.5685,9.93484,0.895347,1794.97,1902.51,2124.89,0,0,0,6362.76,0.6744,0.753227,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Eu,No,N/A,PACMAN-DDEC6,12.11200895,0.767071818,0.028512603,0.854795761,0.05207164,0.903821805,0.059635282,0.0013675,0.363271512,420,SI,10.1021/acsomega.8b00199,2018,2018/5/29,ACS,All Solvent Removed,TRUE,415.4,0.9407828,0.87,strong,
79,2019[Zn][dia]3[ASR]1,ao8b03623_si_002_ASR_pacman,-,[O-]C=O.[Zn] MOFid-v1.met.cat0;ao8b03623_si_002_ASR_pacman,[Zn1_Type-1].[O-1][C][=O] MOFid-v2.met.cat0;ao8b03623_si_002_ASR_pacman,4.64754,3.60747,4.61185,1.9285,111.534,694.509,360.13,0,0,0,713.037,0.444,0.230231,0,0,0,3,dia,unnamed,dia,unnamed,1,3,-P 2ybc,14,Zn,No,N/A,PACMAN-DDEC6,17.26832,0.728146097,0.019078577,0.786563344,0.028143993,0.822819655,0.043194465,0.000946736,0.447818917,108,SI,10.1021/acsomega.8b03623,2019,2019/2/22,ACS,All Solvent Removed,FALSE,298.1,0.57669866,0.630299958,weak,
80,2019[Ni][gra]3[ASR]1,ao9b02124_si_001_6_ASR_pacman,-,unknown,[C3H1Ni2O7_Type-1].[O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;ao9b02124_si_001_6_ASR_pacman,5.28182,3.39356,5.27451,1.30537,371.309,736.922,564.53,0,0,0,2383.28,0.473,0.362349,0,0,0,3,gra,unnamed,gra,unnamed,1,2,-P 2ybc,14,Ni,No,N/A,PACMAN-DDEC6,10.76331326,0.892266693,0.028982972,1.00213641,0.061276713,1.050875712,0.070527329,0.00158609,0.426628039,368,SI,10.1021/acsomega.9b02124,2019,2019/10/8,ACS,All Solvent Removed,FALSE,342.4,0.8679694,0.829200627,strong,
81,2020[Tb][hcb]2[ASR]1,ap0c00052_si_004_ASR_pacman,-,unknown,unknown,5.46539,4.21037,5.46539,1.3838,394.803,700.024,505.872,0,0,0,2491.68,0.4418,0.319267,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Tb,No,N/A,PACMAN-DDEC6,10.49076152,0.886123894,0.031269625,0.983740732,0.063963348,1.036644564,0.07755773,0.001505207,0.442014053,448,SI,10.1021/acsapm.0c00052,2020,2020/3/6,ACS,All Solvent Removed,TRUE,366.3,0.37694576,0.51,none,
82,2015[Cd][nan]3[ASR]2,c4dt01678e2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(o1)C(=O)[O-] MOFid-v1.unknown.cat0;c4dt01678e2_2_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c4dt01678e2_2_ASR_pacman,4.4852,3.28413,4.29019,1.70185,0,0,0,83.4698,897.144,527.158,456.452,0.4906,0.288275,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,17.33711491,0.670472719,0.010214309,0.749066561,0.02050116,0.79869676,0.023248034,0.00128224,0.290627874,55,SI,10.1039/C4DT01678E,2015,2015,RSC,All Solvent Removed,FALSE,337.3,0.0987739,0.577558824,weak,
83,2015[Zn][sql]2[ASR]1,c4dt02169j2_1_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1.[Zn] MOFid-v1.sql.cat1;c4dt02169j2_1_ASR_pacman,unknown,6.21817,5.22361,6.21817,0.958222,349.752,1862.41,1943.6,0,0,0,1118.51,0.5956,0.621568,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.22307623,0.893372384,0.033680869,1.020372059,0.048201849,1.080735392,0.062653044,0.00187363,0.342389419,106,SI,10.1039/C4DT02169J,2015,2015,RSC,All Solvent Removed,FALSE,383.2,0.89566064,0.393646062,strong,
84,2015[Zn][sql]2[ASR]2,c4dt02169j2_2_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1.[Zn] MOFid-v1.sql.cat1;c4dt02169j2_2_ASR_pacman,unknown,6.21845,5.19067,6.21845,0.958171,353,1879.6,1961.66,0,0,0,1112.56,0.5924,0.618261,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.22307623,0.889492745,0.034292594,1.01672585,0.048183671,1.082646961,0.063790864,0.001931542,0.320248755,106,SI,10.1039/C4DT02169J,2015,2015,RSC,All Solvent Removed,FALSE,383.9,0.8985996,0.393646062,strong,
85,2015[Co][hcb]2[ASR]1,c4qi00138a2_ASR_pacman,-,"O=P(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1cc(nc(c1)c1ccncc1)c1ccncc1.[Co] MOFid-v1.ERROR,hcb.cat1;c4qi00138a2_ASR_pacman",unknown,5.93349,3.83703,5.922,1.11202,365.804,971.35,873.503,0,0,0,1837.02,0.4878,0.438662,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,9.410074881,0.927018365,0.04498182,1.058971063,0.068320896,1.122308786,0.087218211,0.001952904,0.352582939,268,SI,10.1039/C4QI00138A,2015,2015,RSC,All Solvent Removed,FALSE,282.2,0.1756818,0.74,weak,
86,2015[Cd][nan]2[ASR]1,c4qi00175c2_1_ASR_pacman,-,[Cd][Cd].[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;c4qi00175c2_1_ASR_pacman,[Cd2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c4qi00175c2_1_ASR_pacman,5.77161,3.83429,5.76717,1.64404,88.6099,526.348,320.156,0,0,0,758.578,0.4506,0.274081,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,13.889524,0.732542058,0.021729025,0.821935848,0.040993934,0.860949055,0.04906738,0.00128407,0.355717828,120,SI,10.1039/C4QI00175C,2015,2015,RSC,All Solvent Removed,FALSE,341.5,0.8721565,0.44,none,
87,2015[Zn][nan]2[ASR]1,c4qi00175c2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-].[OH].[Zn] MOFid-v1.unknown.cat1;c4qi00175c2_2_ASR_pacman,[Zn1_Type-1].[Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat1;c4qi00175c2_2_ASR_pacman,4.82391,4.37452,4.80722,1.69475,92.7164,564.099,332.851,0,0,0,662.708,0.4032,0.237912,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.90314031,0.79748843,0.023806279,0.89485818,0.049168784,0.939342579,0.056476409,0.001418541,0.380740211,130,SI,10.1039/C4QI00175C,2015,2015,RSC,All Solvent Removed,FALSE,409.1,0.7428133,0.536071429,none,
88,2015[InAg][sql]2[ASR]1,c4ra13058h_c4ra13058h2_ASR_pacman,-,[Ag].[In].[O-]C(=O)c1cccnc1 MOFid-v1.sql.cat1;c4ra13058h_c4ra13058h2_ASR_pacman,[Ag1_Type-1].[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c4ra13058h_c4ra13058h2_ASR_pacman,5.12243,4.35883,5.12243,1.31283,208.342,1158.19,882.204,0,0,0,963.831,0.5358,0.408124,0,0,0,2,sql,unnamed,sql,unnamed,2,3,I -4 2,121,"In,Ag",No,N/A,PACMAN-DDEC6,13.16837111,0.762993154,0.005559476,0.856243732,0.004441711,0.947367425,0.004449316,0.001843743,0.210224822,108,SI,10.1039/C4RA13058H,2015,2015,RSC,All Solvent Removed,FALSE,321.9,0.9238385,0.527058824,weak,
89,2016[Zn][acs]3[ASR]1,c5cc06190c2_ASR_pacman,-,unknown,[Zn1_Type-1].[O-1][C][=O] MOFid-v2.acs.cat0;c5cc06190c2_ASR_pacman,3.47607,3.1628,3.47508,1.66069,0,0,0,1.62146,20.2256,12.179,379.039,0.4728,0.2847,0,0,0,3,acs,unnamed,acs,unnamed,1,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,15.41787077,0.75963784,0.040413141,0.823109263,0.049455485,0.80428915,0.080398983,0.000446513,0.639399166,52,SI,10.1039/C5CC06190C,2016,2016/8/15,RSC,All Solvent Removed,FALSE,213.7,0.94704217,0.504407801,weak,
90,2016[Zn][hcb]2[ASR]1,c5cc09925k2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc2c(c1)c1cc(ccc1[nH]2)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.hcb.cat1;c5cc09925k2_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat1;c5cc09925k2_ASR_pacman,7.59184,6.0757,7.59184,0.90919,4052.77,1856.86,2042.32,0,0,0,13815.8,0.633,0.696224,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.44562378,0.860432155,0.033562086,0.980582209,0.050695669,1.042811329,0.067644307,0.001823792,0.322948122,1144,SI,10.1039/C5CC09925K,2016,2016,RSC,All Solvent Removed,FALSE,365.9,0.4209765,0.48,none,
91,2015[DyCo][hcb]2[ASR]1,c5ce00009b2_1_ASR_pacman,-,unknown,[C3Co1O6_Type-1].[C3Dy1O6_Type-1].[O-1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;c5ce00009b2_1_ASR_pacman,7.30876,6.02741,7.30876,1.35485,117.055,1332.49,983.501,0,0,0,473.316,0.5388,0.397684,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,P 3,143,"Dy,Co",Yes,Dy,PACMAN-DDEC6,15.24983521,0.710904316,0.013958286,0.791503915,0.027449892,0.836471577,0.037627612,0.001255673,0.340141189,47,SI,10.1039/C5CE00009B,2015,2015,RSC,All Solvent Removed,FALSE,320,0.8244718,0.3675,superstrong_high_loading,
92,2015[HoCo][hcb]2[ASR]1,c5ce00009b2_2_ASR_pacman,-,[Co].[Ho].[O-]C(=O)c1ncccc1C(=O)[O-] MOFid-v1.hcb.cat0;c5ce00009b2_2_ASR_pacman,[C3Co1O6_Type-1].[C3Ho1O6_Type-1].[O-1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;c5ce00009b2_2_ASR_pacman,7.17949,5.90683,7.17949,1.37876,117.467,1356.19,983.629,0,0,0,476.212,0.5498,0.398764,0,0,0,2,hcb,unnamed,hcb,unnamed,1,2,P 3,143,"Ho,Co",Yes,Ho,PACMAN-DDEC6,15.30154415,0.707774377,0.01398347,0.787897121,0.026944904,0.835288453,0.037715784,0.001275141,0.330687385,47,SI,10.1039/C5CE00009B,2015,2015,RSC,All Solvent Removed,FALSE,319,0.82008016,0.3675,superstrong_high_loading,
93,2015[ErCo][hcb]2[ASR]1,c5ce00009b2_3_ASR_pacman,-,[Co].[Er].[O-]C(=O)c1ncccc1C(=O)[O-] MOFid-v1.hcb.cat0;c5ce00009b2_3_ASR_pacman,[C3Co1O6_Type-1].[C3Er1O6_Type-1].[O-1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;c5ce00009b2_3_ASR_pacman,7.20181,5.92665,7.20181,1.38678,117.699,1362.36,982.391,0,0,0,474.299,0.549,0.39588,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,P 3,143,"Er,Co",Yes,Er,PACMAN-DDEC6,15.35109053,0.70471017,0.013353544,0.781698142,0.026541756,0.83122965,0.037847522,0.001265195,0.329727807,47,SI,10.1039/C5CE00009B,2015,2015,RSC,All Solvent Removed,FALSE,317.6,0.8204738,0.3675,superstrong_high_loading,
94,2015[CoTm][hcb]2[ASR]1,c5ce00009b2_4_ASR_pacman,-,[Co].[O-]C(=O)c1ncccc1C(=O)[O-].[Tm] MOFid-v1.hcb.cat0;c5ce00009b2_4_ASR_pacman,[C3Co1O6_Type-1].[C3O6Tm1_Type-1].[O-1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;c5ce00009b2_4_ASR_pacman,7.17717,5.88475,7.17516,1.39476,117.366,1363.16,977.343,0,0,0,472.336,0.5486,0.393329,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,P 3,143,"Co,Tm",Yes,Tm,PACMAN-DDEC6,15.3867333,0.70291838,0.012465878,0.78277564,0.026630326,0.829892733,0.035913103,0.001269744,0.32745202,47,SI,10.1039/C5CE00009B,2015,2015,RSC,All Solvent Removed,FALSE,317.7,0.8180192,0.3875,superstrong_high_loading,
95,2015[Ag][nan]2[ASR]1,c5ce00677e2_2_ASR_pacman,-,[Ag][Ag].[O-]C(=O)CN1[CH]C=C(C=C1)C(=O)[O-].[O]N(=O)=O MOFid-v1.ERROR.cat0;c5ce00677e2_2_ASR_pacman,unknown,3.08728,2.55648,3.08065,2.71981,0,0,0,0,0,0,285.589,0.2554,0.0939036,0,0,0,2,unstable,unnamed,unstable,unnamed,2,2,-P 2ybc,14,Ag,Yes,Ag,PACMAN-DDEC6,18.3151536,0.618855955,0.014262939,0.676796913,0.030749897,0.724356075,0.029812446,0.001055001,0.304085894,100,SI,10.1039/C5CE00677E,2015,2015,RSC,All Solvent Removed,FALSE,351.7,0.46879432,0.25,weak,
96,2015[Cu][pcu]2[ASR]1,c5ce00724k2_ASR_pacman,-,unknown,[Cu1_Type-1].[N][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][NH0][NH0][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.pcu.cat0;c5ce00724k2_ASR_pacman,4.11766,3.44637,4.11545,1.27215,45.6673,629.31,494.683,0,0,0,368.496,0.5078,0.399167,0,0,0,2,pcu,unnamed,pcu,unnamed,2,2,-P 1,2,Cu,No,N/A,PACMAN-DDEC6,11.34552,0.869513417,0.023687902,0.986432406,0.052610474,1.036626456,0.059653788,0.00167113,0.379295126,49,SI,10.1039/C5CE00724K,2015,2015,RSC,All Solvent Removed,FALSE,217.8,0.105229974,0.745,weak,
97,2015[Zn][sql]2[ASR]3,c5ce00886g2_1_ASR_pacman,-,unknown,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=Branch2][Branch1][C][=C][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=C][C][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][Branch1][#C][C][Ring2][Ring2][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N] MOFid-v2.sql.cat0;c5ce00886g2_1_ASR_pacman,7.85595,5.85903,7.84985,0.911355,817.004,1433.16,1572.56,0,0,0,3321.23,0.5826,0.639268,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,9.201839059,0.943394394,0.037337021,1.064255233,0.067371345,1.136367202,0.077655802,0.001929728,0.372600783,340,SI,10.1039/C5CE00886G,2015,2015,RSC,All Solvent Removed,FALSE,281.8,0.85401845,0.71,weak,
98,2015[Zn][sql]2[ASR]4,c5ce00886g2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1c2c(c(c3c1C1c4c(C3c3c1cccc3)cccc4)C#Cc1ccc(cc1)C(=O)[O-])C1c3c(C2c2c1cccc2)cccc3.[Zn][Zn] MOFid-v1.sql.cat0;c5ce00886g2_2_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=Branch2][Branch1][C][=C][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=C][C][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][Branch1][#C][C][Ring2][Ring2][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N] MOFid-v2.sql.cat0;c5ce00886g2_2_ASR_pacman,9.56202,7.99894,9.56202,0.856826,430.373,1419.55,1656.76,0,0,0,1826.94,0.6026,0.703293,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2y,12,Zn,Yes,Zn,PACMAN-DDEC6,9.201839059,0.952443934,0.037303749,1.089878583,0.059836667,1.158081273,0.070540148,0.002056373,0.347070559,170,SI,10.1039/C5CE00886G,2015,2015,RSC,All Solvent Removed,FALSE,287.7,0.7532928,0.7,weak,
99,2015[Zn][pcu]3[ASR]1,c5ce00931f2_3_ASR_pacman,-,[O-]C(=O)c1ccc(o1)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;c5ce00931f2_3_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5ce00931f2_3_ASR_pacman,5.7396,4.59935,5.7396,1.07923,511.075,2044.12,1894.06,0,0,0,1567.64,0.627,0.580972,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,14.77178764,0.770164144,0.013525628,0.868892383,0.022937011,0.924762219,0.02851709,0.001545981,0.313512987,110,SI,10.1039/C5CE00931F,2015,2015,RSC,All Solvent Removed,FALSE,281.8,0.31813383,0.36,weak,
100,2015[Co][nan]2[ASR]1,c5ce01087j2_1_ASR_pacman,-,"[Co].[O-]C(=O)c1cc(c(cc1C(=O)[O-])C(=O)[O-])P(=O)([O])[O].c1ccc(c(c1)Cn1cncc1)Cn1cncc1 MOFid-v1.ERROR,unknown.cat0;c5ce01087j2_1_ASR_pacman","[C1Co1O2_Type-1].[C4Co3O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][P][=Branch1][C][=O][Branch1][C][OH0][OH0].[C][=C][C][=C][Branch1][#C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR,UNKNOWN.cat0;c5ce01087j2_1_ASR_pacman",4.23185,3.46185,4.23185,1.59981,51.6222,370.762,231.753,0,0,0,528.807,0.3798,0.237403,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,12.08470792,0.836705366,0.022847896,0.941422339,0.0327608,0.999852321,0.040368726,0.00163147,0.354979,111,SI,10.1039/C5CE01087J,2015,2015,RSC,All Solvent Removed,FALSE,353.5,0.8354146,0.569655172,superstrong_high_loading,
101,2015[Pr][hcb]2[ASR]1,c5ce01302j2_ASR_pacman,-,[O]S(c1cccc2c1cccc2S([O])([O])[O])([O])[O].[Pr] MOFid-v1.hcb.cat0;c5ce01302j2_ASR_pacman,unknown,4.32306,2.50132,4.31433,1.51409,0,0,0,78.3344,176.656,116.675,1810.97,0.4084,0.269734,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 2ybc,14,Pr,Yes,Pr,PACMAN-DDEC6,11.61825345,0.819334274,0.026745794,0.931762329,0.053508587,0.976268237,0.064605744,0.00156934,0.359852745,348,SI,10.1039/C5CE01302J,2015,2015,RSC,All Solvent Removed,FALSE,375.6,0.9411663,0.7,none,
102,2016[Ag][nan]3[ASR]1,c5ce01948f2_1_ASR_pacman,-,Cc1nc(C)c(nc1C)C.[Ag]1[Ag][Ag][Ag][Ag][Ag]1.[O-]C(=O)c1cc(cc(c1)N(=O)=O)C(=O)[O-] MOFid-v1.ERROR.cat0;c5ce01948f2_1_ASR_pacman,unknown,5.17559,4.77124,5.17559,1.89554,148.907,504.949,266.388,0,0,0,1140.65,0.3868,0.204058,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 61 2 (0 0 -1),178,Ag,No,N/A,PACMAN-DDEC6,13.35817143,0.747405674,0.022211876,0.827800097,0.038947224,0.899462778,0.03869676,0.001520571,0.292689653,252,SI,10.1039/C5CE01948F,2016,2016,RSC,All Solvent Removed,TRUE,340.2,0.17727014,0.5,weak,
103,2016[Ag][nan]3[ASR]2,c5ce01948f2_2_ASR_pacman,-,unknown,unknown,5.29133,4.83031,5.29133,1.86031,161.198,536.469,288.377,0,0,0,1149.63,0.3826,0.205665,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 65 2 (0 0 1),179,Ag,No,N/A,PACMAN-DDEC6,13.35817143,0.738316083,0.026009664,0.802089515,0.054505547,0.844972429,0.058079591,0.001066563,0.421828799,252,SI,10.1039/C5CE01948F,2016,2016,RSC,All Solvent Removed,TRUE,338.8,0.18070188,0.51,weak,
104,2016[Sm][kgd]2[ASR]1,c5ce02140e2_1_ASR_pacman,-,[O-]C(=O)c1cc(Oc2ccc(cc2)C2=NN=N[N]2)cc(c1)C(=O)[O-].[OH2][Sm][OH2] MOFid-v1.ERROR.cat0;c5ce02140e2_1_ASR_pacman,[Sm2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5ce02140e2_1_ASR_pacman,4.59113,3.81916,4.46155,1.47588,145.384,1267.74,858.974,0,0,0,574.546,0.501,0.339459,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Sm,Yes,Sm,PACMAN-DDEC6,13.41132737,0.727160611,0.020386567,0.814985913,0.041908199,0.862168146,0.052618255,0.001350075,0.328911855,76,SI,10.1039/C5CE02140E,2016,2016,RSC,All Solvent Removed,FALSE,360.4,0.32488623,0.87,superstrong_high_loading,
105,2016[Eu][kgd]2[ASR]1,c5ce02140e2_2_ASR_pacman,-,[O-]C(=O)c1cc(Oc2ccc(cc2)C2=NN=N[N]2)cc(c1)C(=O)[O-].[OH2][Eu][OH2] MOFid-v1.ERROR.cat0;c5ce02140e2_2_ASR_pacman,[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5ce02140e2_2_ASR_pacman,4.58904,3.79464,4.4485,1.48285,146.159,1276.49,860.841,0,0,0,572.73,0.5002,0.337324,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,13.45353789,0.723961996,0.020390149,0.808751393,0.042054835,0.855054822,0.052325678,0.001310928,0.33709785,76,SI,10.1039/C5CE02140E,2016,2016,RSC,All Solvent Removed,FALSE,360.3,0.29566264,0.85962963,superstrong_high_loading,
106,2016[Gd][kgd]2[ASR]1,c5ce02140e2_3_ASR_pacman,-,[O-]C(=O)c1cc(Oc2ccc(cc2)C2=NN=N[N]2)cc(c1)C(=O)[O-].[OH2][Gd] MOFid-v1.unknown.cat0;c5ce02140e2_3_ASR_pacman,[Gd2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c5ce02140e2_3_ASR_pacman,4.63435,3.76627,4.63435,1.46095,166.607,1470.2,1006.33,0,0,0,590.411,0.521,0.356617,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Gd,Yes,Gd,PACMAN-DDEC6,14.24300457,0.697684896,0.017110327,0.780083936,0.036975529,0.820683418,0.045730228,0.001229985,0.335655923,70,SI,10.1039/C5CE02140E,2016,2016,RSC,All Solvent Removed,FALSE,409.1,0.39237505,0.75,none,
107,2016[Zn][nan]3[ASR]7,c5ce02194d2_ASR_pacman,-,[O-]C(=O)c1cccc(c1)C(=O)[O-].[Zn].n1ccc(cc1)N1CCN(CC1)c1ccncc1 MOFid-v1.unknown.cat0;c5ce02194d2_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c5ce02194d2_ASR_pacman,6.92787,5.95334,6.80105,0.951977,1033.01,1575.66,1655.15,0,0,0,3892.96,0.5938,0.623754,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,9.211737255,0.952748827,0.039505181,1.076483212,0.055006267,1.155259144,0.056653157,0.002025103,0.352710951,408,SI,10.1039/C5CE02194D,2016,2016,RSC,All Solvent Removed,TRUE,345.7,0.83521634,0.308517857,strong,
108,2016[Co][ant]3[ASR]1,c5ce02254a2_7_ASR_pacman,-,[Co][OH2][Co][OH2][Co].[O-]C(=O)c1ccc(cc1)c1ccc(cc1C(=O)[O-])C(=O)[O-] MOFid-v1.ant.cat0;c5ce02254a2_7_ASR_pacman,unknown,5.4668,3.66161,5.4668,1.24631,376.312,644.446,517.083,0,0,0,2746.81,0.4704,0.377434,0,0,0,3,ant,unnamed,ant,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,10.05187803,0.916819982,0.03388304,1.022953556,0.069733924,1.067495067,0.084205755,0.001506751,0.47506007,436,SI,10.1039/C5CE02254A,2016,2016,RSC,All Solvent Removed,FALSE,225.5,0.45109868,0.847200627,strong,
109,2016[Cu][nan]2[ASR]1,c5ce02492g2_1_ASR_pacman,-,[Cu].[Cu][OH]1[Cu][OH]([Cu]1)[Cu].[O-]C(=O)c1cc(cc(c1)C(=O)O)C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].c1ncn(c1)CCCn1cnnc1 MOFid-v1.ERROR.cat0;c5ce02492g2_1_ASR_pacman,[C2Cu1O4_Type-1].[C8Cu4H6N6O10_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][C][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;c5ce02492g2_1_ASR_pacman,3.71447,2.8097,3.71447,1.63875,0,0,0,13.0063,80.2127,48.9474,655.074,0.404,0.246529,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Cu,Yes,Cu,PACMAN-DDEC6,12.12261758,0.859810744,0.018530318,0.962539822,0.038493177,1.01583846,0.039312176,0.001560277,0.399966004,132,SI,10.1039/C5CE02492G,2016,2016,RSC,All Solvent Removed,FALSE,270.6,0.63074666,0.78,none,
110,2016[Zn][sql]2[ASR]1,c5ce02540k2_3_ASR_pacman,-,COc1cc(c2ccc(cc2)C(=O)[O-])c(cc1OC)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)NNc1ccncc1 MOFid-v1.sql.cat1;c5ce02540k2_3_ASR_pacman,[C2O4Zn1_Type-2].[C][O][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch1][C][=C][Ring1][#C][O][C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c5ce02540k2_3_ASR_pacman,4.66367,3.73123,4.60436,1.24339,324.951,484.336,389.527,0,0,0,2990.96,0.4458,0.358535,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,9.100754203,0.971061646,0.043230917,1.088358866,0.086768944,1.139732183,0.100659972,0.001686705,0.476037351,552,SI,10.1039/C5CE02540K,2016,2016,RSC,All Solvent Removed,FALSE,306.3,0.79050183,0.412642857,weak,
111,2016[Co][sql]2[ASR]1,c5ce02540k2_6_ASR_pacman,-,COc1cc(c2ccc(cc2)C(=O)[O-])c(cc1OC)c1ccc(cc1)C(=O)[O-].[Co].[O-]C=O.n1ccc(cc1)NNc1ccncc1 MOFid-v1.sql.cat0;c5ce02540k2_6_ASR_pacman,unknown,5.3519,3.96561,5.34894,1.06612,543.761,1254,1176.23,0,0,0,2290.39,0.5282,0.49544,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,9.469241803,0.963519168,0.042247943,1.06507966,0.079994512,1.118344358,0.093366982,0.001548252,0.507092895,294,SI,10.1039/C5CE02540K,2016,2016,RSC,All Solvent Removed,FALSE,248.6,0.5609939,0.688,strong,
112,2015[Zr][fcu]3[ASR]1,c5cp03920g2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.fcu.cat0;c5cp03920g2_ASR_pacman,[C12H4O32Zr6_Type-4].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;c5cp03920g2_ASR_pacman,8.57883,4.07716,8.57883,1.22102,376.163,1662.19,1361.31,0,0,0,1344.25,0.594,0.486477,0.905221,0.0004,0.000327594,3,fcu,unnamed,fcu,unnamed,1,3,F -4 2 3,216,Zr,No,N/A,PACMAN-DDEC6,14.59702386,0.761312445,0.004758691,0.852397421,0.00481901,0.927677486,0.007286087,0.00166365,0.264851474,114,SI,10.1039/C5CP03920G,2015,2015,RSC,All Solvent Removed,TRUE,382,0.85495514,0.84,weak,
113,2015[Co][sql]2[ASR]1,c5dt00578g2_4_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)Nc1ccc(cc1)C(=O)[O-].c1ncn(c1)c1ccc2c(c1)c1cc(ccc1o2)n1cncc1 MOFid-v1.sql.cat0;c5dt00578g2_4_ASR_pacman,[C4Co2O8_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sql.cat0;c5dt00578g2_4_ASR_pacman,7.28209,5.9399,7.27604,1.20751,281.802,833.713,690.438,0.340643,1.00779,0.834603,1584.58,0.4688,0.388236,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,9.601138047,0.928551478,0.037995246,1.035466585,0.071848827,1.096743655,0.08374371,0.001681922,0.43158129,256,SI,10.1039/C5DT00578G,2015,2015,RSC,All Solvent Removed,FALSE,413.2,0.94540256,0.844212121,strong,
114,2015[Zn][nan]2[ASR]2,c5dt02132d2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-].[OH].[Zn] MOFid-v1.unknown.cat1;c5dt02132d2_3_ASR_pacman,[Zn1_Type-1].[Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat1;c5dt02132d2_3_ASR_pacman,4.93656,4.54089,4.88782,1.66435,103.974,621.245,373.265,0,0,0,690.877,0.4128,0.248024,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.90314031,0.803094395,0.023776569,0.900228332,0.043122733,0.948464148,0.050430937,0.001453698,0.375134823,130,SI,10.1039/C5DT02132D,2015,2015,RSC,All Solvent Removed,FALSE,410.3,0.7285258,0.536071429,none,
115,2015[Cd][nan]3[ASR]3,c5dt02374b2_ASR_pacman,-,[Cd].[O-]C(=O)C1=NN=C([CH]1)C(=O)[O-].[O-]C(=O)c1[n-][nH]c(c1)C(=O)O.[O-]C(=O)c1[nH][n-]c(c1)C(=O)[O-].[OH2][Cd] MOFid-v1.unknown.cat0;c5dt02374b2_ASR_pacman,unknown,4.73489,3.16265,4.64092,1.99798,0,0,0,77.1092,567.461,284.017,621.808,0.4576,0.229031,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,P -2yc,7,Cd,Yes,Cd,PACMAN-DDEC6,18.16643156,0.639537787,0.011987458,0.70369449,0.020901641,0.754962327,0.0259042,0.001154245,0.29541231,90,SI,10.1039/C5DT02374B,2015,2015,RSC,All Solvent Removed,FALSE,295,0.61316067,0.393828054,strong,
116,0000[Er][lcy]3[ASR]1,c5dt03091a2_1_ASR_pacman,-,[Er]12[OH]3[Er]4[OH]2[Er]2[OH]1[Er]3[OH]42.[O-]C(=O)c1ccc(cc1)c1cncc(c1)c1ccc(cc1)C(=O)[O-] MOFid-v1.lcy.cat1;c5dt03091a2_1_ASR_pacman,[C6Er4H4O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lcy.cat1;c5dt03091a2_1_ASR_pacman,12.70758,7.22422,12.52783,0.840959,5327.32,1996.75,2374.37,0,0,0,19540.4,0.7324,0.87091,0,0,0,3,lcy,unnamed,lcy,unnamed,2,2,-P 2ac 2ab 3,205,Er,No,N/A,PACMAN-DDEC6,14.43547162,0.641137657,0.025395721,0.715014119,0.04657248,0.751253146,0.054257563,0.001101155,0.317064091,936,SI,10.1039/C5DT3091A,unknown,unknown,RSC,All Solvent Removed,FALSE,411.2,0.28119612,0.68,none,
117,0000[Lu][lcy]3[ASR]1,c5dt03091a2_3_ASR_pacman,-,unknown,[C6H4Lu4O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lcy.cat1;c5dt03091a2_3_ASR_pacman,12.44548,7.05215,12.44315,0.89958,5088.19,2003.49,2227.14,0,0,0,18458.3,0.7268,0.807932,0,0,0,3,lcy,unnamed,lcy,unnamed,2,3,-P 2ac 2ab 3,205,Lu,No,N/A,PACMAN-DDEC6,14.69898615,0.614658814,0.025476488,0.689120532,0.046805986,0.72561464,0.053281486,0.001109558,0.288119269,936,SI,10.1039/C5DT3091A,unknown,unknown,RSC,All Solvent Removed,FALSE,406.6,0.28268898,0.66,strong,
118,2015[Zn][kgd]2[ASR]1,c5nj01005e2_1_ASR_pacman,-,[O-]C(=O)c1cc(CSc2nc3c([nH]2)cccc3)cc(c1)C(=O)[O-].[Zn] MOFid-v1.kgd.cat0;c5nj01005e2_1_ASR_pacman,unknown,5.29331,4.03957,5.28524,1.19117,224.902,1029.62,864.383,0,0,0,1146.33,0.5248,0.440576,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.52078235,0.844348777,0.025937079,0.951352142,0.051301399,0.996629014,0.061583674,0.001522802,0.397795815,136,SI,10.1039/C5NJ01005E,2015,2015,RSC,All Solvent Removed,FALSE,359.7,0.9196042,0.670571429,none,
119,2015[Zn][bey]2[ASR]1,c5nj01005e2_4_ASR_pacman,-,[O-]C(=O)c1cc(CSc2nc3c([nH]2)cccc3)cc(c1)C(=O)[O-].[Zn].c1ncn(c1)c1ccc(cc1)c1ccc(cc1)n1cncc1 MOFid-v1.bey.cat1;c5nj01005e2_4_ASR_pacman,[C2O4Zn1_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.bey.cat1;c5nj01005e2_4_ASR_pacman,5.29134,3.52181,5.27688,1.40778,99.6627,394.904,280.516,0,0,0,1024.39,0.4059,0.288332,0,0,0,2,bey,unnamed,bey,unnamed,2,2,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.28599769,0.902191543,0.032180661,1.010705552,0.06427855,1.065567737,0.076165029,0.001633762,0.421004934,208,SI,10.1039/C5NJ01005E,2015,2015,RSC,All Solvent Removed,FALSE,376.8,0.928594,0.69,none,
120,2015[Nd][nan]3[ASR]1,c5nj01930c2_1_ASR_pacman,-,[Nd].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c5nj01930c2_1_ASR_pacman,[Nd4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c5nj01930c2_1_ASR_pacman,5.64911,4.27538,5.64911,1.35969,574.75,1112.97,818.552,0,0,0,2574.82,0.4986,0.366702,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Nd,Yes,Nd,PACMAN-DDEC6,12.73632482,0.747590131,0.024454589,0.832788689,0.048019812,0.875351729,0.060214305,0.001277616,0.371411259,332,SI,10.1039/C5NJ01930C,2015,2015,RSC,All Solvent Removed,FALSE,464.8,0.87965524,0.82962963,none,
121,2015[Sm][nan]3[ASR]1,c5nj01930c2_2_ASR_pacman,-,unknown,[Sm4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c5nj01930c2_2_ASR_pacman,5.60355,4.27431,5.58989,1.40562,523.304,1035.6,736.752,0.0189376,0.0374766,0.026662,2455.84,0.486,0.345754,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Sm,Yes,Sm,PACMAN-DDEC6,12.88374651,0.736718892,0.024190867,0.823033773,0.0471267,0.864830728,0.058620029,0.001281118,0.359803038,332,SI,10.1039/C5NJ01930C,2015,2015,RSC,All Solvent Removed,FALSE,453,0.86181176,0.8,none,
122,2015[Eu][nan]3[ASR]1,c5nj01930c2_3_ASR_pacman,-,unknown,[Eu4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c5nj01930c2_3_ASR_pacman,5.61851,4.19073,5.60379,1.41892,395.333,787.386,554.919,83.5238,166.354,117.24,2445.15,0.487,0.343219,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,12.92239711,0.733847802,0.023961298,0.820931307,0.04724024,0.860467518,0.058432803,0.001266197,0.3619132,332,SI,10.1039/C5NJ01930C,2015,2015,RSC,All Solvent Removed,FALSE,452.3,0.8684305,0.78,none,
123,2015[Cd][sql]2[ASR]1,c5ra04381f2_2_ASR_pacman,-,Nc1ccc(cc1)Cn1ncnc1.[Cd] MOFid-v1.sql.cat1;c5ra04381f2_2_ASR_pacman,[Cd1_Type-1].[N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.sql.cat1;c5ra04381f2_2_ASR_pacman,5.25157,3.57485,5.24497,1.11534,99.6689,726.36,651.245,14.7409,107.428,96.3184,776.648,0.566,0.507469,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,9.804595745,0.838011434,0.053278516,0.959219257,0.082554691,1.023095483,0.078948681,0.00185084,0.292314553,94,SI,10.1039/C5RA04381F,2015,2015,RSC,All Solvent Removed,FALSE,306.8,0.8276533,0.5585,weak,
124,2015[Ni][sql]2[ASR]1,c5ra16112f2_1_ASR_pacman,-,[Ni].[O-]C(=O)c1cccc(c1)C(=O)[O-].c1ncn(c1)Cc1ccc(cc1)c1ccc(cc1)Cn1cncc1 MOFid-v1.sql.cat1;c5ra16112f2_1_ASR_pacman,[C2Ni1O4_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sql.cat1;c5ra16112f2_1_ASR_pacman,3.56425,3.03344,3.56425,1.38292,0,0,0,3.33899,25.882,18.7154,504.938,0.3914,0.283024,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Ni,Yes,Ni,PACMAN-DDEC6,9.104950508,0.971065955,0.043779498,1.07570119,0.08647511,1.133265686,0.099411465,0.001621997,0.492311883,118,SI,10.1039/C5RA16112F,2015,2015,RSC,All Solvent Removed,FALSE,271.1,0.47938436,0.7,strong,
125,2015[Cu][sql]2[ASR]1,c5ra18499a2_1_ASR_pacman,-,"Cl[Cu]Cl.n1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.sql,bex.cat3;c5ra18499a2_1_ASR_pacman","[Cl2Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql,bex.cat3;c5ra18499a2_1_ASR_pacman",7.39096,6.21369,7.23381,0.859717,1891.2,1578.76,1836.37,0,0,0,7161.05,0.5978,0.695345,0,0,0,2,sql,unnamed,sql,unnamed,4,3,C 2 2 -1bc,68,Cu,No,N/A,PACMAN-DDEC6,9.120295059,0.925855858,0.049932765,1.061038067,0.079194949,1.108163316,0.09522679,0.001823075,0.393609643,680,SI,10.1039/C5RA18499A,2015,2015,RSC,All Solvent Removed,FALSE,376.2,0.18881616,0.856153846,none,
126,2015[Mn][sql]2[ASR]1,c5ra18499a2_2_ASR_pacman,-,"Cl[Mn]Cl.n1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.sql,bex.cat3;c5ra18499a2_2_ASR_pacman","[Cl2Mn1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql,bex.cat3;c5ra18499a2_2_ASR_pacman",7.38868,6.24423,7.24949,0.847701,1889.61,1572.85,1855.43,0,0,0,7232.38,0.602,0.710156,0,0,0,2,sql,unnamed,sql,unnamed,4,3,C 2 2 -1bc,68,Mn,No,N/A,PACMAN-DDEC6,9.019025,0.932411268,0.049900906,1.044021658,0.093722605,1.085047802,0.10306863,0.001526365,0.486265709,680,SI,10.1039/C5RA18499A,2015,2015,RSC,All Solvent Removed,FALSE,425,0.116000265,0.8,weak,
127,2016[Fe][hcb]2[ASR]1,c5sc03325j2_1_ASR_pacman,-,[Fe].[O-]C(=O)C(=O)[O-] MOFid-v1.ERROR.cat0;c5sc03325j2_1_ASR_pacman,[Fe1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5sc03325j2_1_ASR_pacman,5.27197,4.09919,5.27197,1.0999,241.744,2130.77,1937.24,0,0,0,744.257,0.656,0.596419,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 2ybc,14,Fe,No,N/A,PACMAN-DDEC6,18.78735,0.737845625,0.023327699,0.803782505,0.02241356,0.858355444,0.01746403,0.001205098,0.378210156,40,SI,10.1039/C5SC03325J,2016,2016,RSC,All Solvent Removed,FALSE,320.8,0.79492444,0.5,weak,
128,2016[Mg][hcb]2[ASR]1,c5sc03325j2_2_ASR_pacman,-,unknown,[Mg1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5sc03325j2_2_ASR_pacman,5.23271,4.08654,5.0291,0.937448,232.59,2099.82,2239.93,0,0,0,710.68,0.6416,0.684411,0,0,0,2,hcb,unnamed,hcb,unnamed,1,2,-P 2ybc,14,Mg,No,N/A,PACMAN-DDEC6,15.63335,0.813003098,0.026424007,0.9536886,0.025090014,1.022910481,0.024192814,0.002099074,0.195191552,40,SI,10.1039/C5SC03325J,2016,2016,RSC,All Solvent Removed,FALSE,463.8,0.81691813,0.22,weak,
129,0000[In][ctn]3[ASR]1,c5sc03494a2_2_ASR_pacman,-,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ctn.cat0;c5sc03494a2_2_ASR_pacman,[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ctn.cat0;c5sc03494a2_2_ASR_pacman,6.25511,5.54572,6.24188,0.917254,2148.47,2529.53,2757.72,0,0,0,5955.67,0.7012,0.764456,0,0,0,3,ctn,unnamed,ctn,unnamed,1,2,I -4bd 2c 3,220,In,No,N/A,PACMAN-DDEC6,15.6389344,0.723003418,0.013958847,0.812727024,0.02597004,0.858150069,0.031977808,0.001351467,0.324946886,300,SI,10.1039/C5SC03494A,unknown,unknown,RSC,All Solvent Removed,FALSE,386.1,0.8990373,0.9,weak,
130,2016[Co][sql]2[ASR]2,c5sc04461h2_3_ASR_pacman,-,[Co].n1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccncc1 MOFid-v1.sql.cat0;c5sc04461h2_3_ASR_pacman,unknown,8.18028,7.92646,8.18028,0.606579,484.936,2407.61,3969.16,0,0,0,1446.99,0.7184,1.18435,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2y,12,Co,No,N/A,PACMAN-DDEC6,9.8099114,0.960789202,0.039868804,1.08277909,0.059895893,1.159495335,0.077484152,0.001987061,0.372216411,75,SI,10.1039/C5SC04461H,2016,2016,RSC,All Solvent Removed,TRUE,285,0.18933174,0.636666667,weak,
131,2015[Zn][pcu]3[ASR]2,c5ta04552e2_2_ASR_pacman,-,[O-]C(=O)c1cc(c2cc(cc(c2)C(=O)[O-])C(=O)[O-])c(cc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn][O]1[Zn][O]([Zn]1)[Zn] MOFid-v1.ERROR.cat0;c5ta04552e2_2_ASR_pacman,[C6O14Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][N][=C][C][=Ring2][Ring1][C][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5ta04552e2_2_ASR_pacman,5.05381,3.72999,5.0367,1.47923,102.862,1171.93,792.259,0,0,0,470.101,0.5356,0.362081,0,0,0,3,pcu,unnamed,scn,unnamed,1,2,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,15.6366384,0.730163891,0.01254189,0.823333304,0.020134408,0.871176275,0.023814853,0.001410124,0.314681147,50,SI,10.1039/C5TA04552E,2015,2015,RSC,All Solvent Removed,FALSE,232.9,0.6350138,0.54,strong,
132,2015[Eu][nan]3[ASR]2,c5ta04989j2_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)O)C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ERROR.cat0;c5ta04989j2_ASR_pacman,[C12Eu3H2O24_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c5ta04989j2_ASR_pacman,7.10272,5.92088,7.10272,1.4765,221.591,1371.56,928.924,0,0,0,841.736,0.521,0.352862,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,15.12157895,0.689323881,0.015264529,0.761918385,0.033064695,0.806038933,0.038557061,0.001167151,0.343924384,95,SI,10.1039/C5TA04989J,2015,2015,RSC,All Solvent Removed,FALSE,328.2,0.85254997,0.9,superstrong_high_loading,
133,2016[Cd][kgd]2[ASR]1,c6cc00576d_c6cc00576d2_ASR_pacman,-,unknown,unknown,6.27358,5.44523,6.26604,1.0597,156.166,1021.77,964.209,15.8316,103.584,97.7484,788.339,0.5158,0.486742,0,0,0,2,kgd,unnamed,kgd,unnamed,1,2,P 1,1,Cd,No,N/A,PACMAN-DDEC6,9.288968762,0.949605881,0.006174614,1.087467032,0.003544421,1.222649528,0.004493594,0.002730436,0.130921381,105,SI,10.1039/C6CC00576D,2016,2016,RSC,All Solvent Removed,FALSE,301,0.7714554,0.86,weak,
134,2016[Mn][nan]3[ASR]1,c6cc02494g4_ASR_pacman,-,[Mn].[O-]C(=O)C1=CC(=S)C(=CC1=S)C(=O)[O-] MOFid-v1.unknown.cat0;c6cc02494g4_ASR_pacman,[Mn6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=S][C][=Branch1][=Branch1][=C][C][Ring1][#Branch1][=S][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c6cc02494g4_ASR_pacman,12.00526,10.79373,12.00526,1.02928,523.209,1608.16,1562.41,0,0,0,2192.19,0.6738,0.654633,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Mn,Yes,Mn,PACMAN-DDEC6,18.67250944,0.707343569,0.005520939,0.767005674,0.008384147,0.833980226,0.005637053,0.001266367,0.326214858,108,SI,10.1039/C6CC02494G,2016,2016,RSC,All Solvent Removed,FALSE,310.6,0.8613632,0.538709677,none,
135,2017[Cu][nan]3[ASR]3,c6cc07729c2_3_ASR_pacman,-,CC(C1=NN=C([N]1)C(C)C)C.[Cu] MOFid-v1.unknown.cat0;c6cc07729c2_3_ASR_pacman,[Cu1_Type-1].[Cu5_Type-1].[C][C][Branch1][#C][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][Branch1][C][C][C][C] MOFid-v2.UNKNOWN.cat0;c6cc07729c2_3_ASR_pacman,9.39866,8.82379,9.39866,1.01975,544.221,1175.4,1152.63,0,0,0,2850.29,0.6156,0.603675,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 6c 2c,182,Cu,Yes,Cu,PACMAN-DDEC6,8.997906076,0.931890506,0.06621605,0.982176701,0.128246605,1.028393693,0.118126064,0.000965032,0.643059144,316,SI,10.1039/C6CC07729C,2017,2017,RSC,All Solvent Removed,TRUE,263.1,0.7515293,0.45,superweak,
136,2017[Cu][nan]3[ASR]4,c6cc07729c2_4_ASR_pacman,-,CC(C1=NN=C([N]1)C(O)C)O.[Cu] MOFid-v1.unknown.cat0;c6cc07729c2_4_ASR_pacman,[Cu1_Type-1].[C][C][Branch1][#C][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][Branch1][C][O][C][O] MOFid-v2.UNKNOWN.cat0;c6cc07729c2_4_ASR_pacman,11.01739,9.30306,11.01739,1.02953,666.432,1429.35,1388.36,5.40493,11.5924,11.2599,3060.45,0.6564,0.637574,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 6c 2c,182,Cu,Yes,Cu,PACMAN-DDEC6,10.78614179,0.874609339,0.040876416,0.952456712,0.072571888,0.992368269,0.073957814,0.001177589,0.527655183,268,SI,10.1039/C6CC07729C,2017,2017,RSC,All Solvent Removed,TRUE,268.9,0.7097366,0.738571429,weak,
137,2017[CuSi][pcu]3[ASR]1,c6cc10217d2_1_ASR_pacman,-,[Cu].n1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccncc1 MOFid-v1.sql.cat1;c6cc10217d2_1_ASR_pacman,unknown,10.72504,10.39704,10.6983,0.765355,612.513,1842.1,2406.85,0,0,0,2198.55,0.6612,0.863912,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2c 2,63,"Cu,Si",No,N/A,PACMAN-DDEC6,10.0824642,0.939797256,0.033480666,1.060206439,0.049476589,1.139251488,0.071900567,0.001994542,0.348328581,152,SI,10.1039/C6CC10217D,2017,2017,RSC,All Solvent Removed,TRUE,327.2,0.65773803,0.71,strong,
138,2016[Cu][hcb]2[ASR]1,c6ce00082g2_1_ASR_pacman,-,unknown,unknown,7.19351,6.59001,7.18129,0.985614,457.304,1508.25,1530.27,0,0,0,1764.02,0.5818,0.590292,0,0,0,2,hcb,unnamed,cpr,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,10.22514227,0.895722404,0.035160714,1.017448884,0.049175895,1.076241905,0.059224925,0.001805195,0.364652819,176,SI,10.1039/C6CE00082G,2016,2016,RSC,All Solvent Removed,FALSE,279.9,0.6566367,0.87,superstrong_high_loading,
139,2016[Zn][dia]3[ASR]1,c6ce00126b2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)n1cnnc1.[Zn] MOFid-v1.dia.cat1;c6ce00126b2_1_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.dia.cat1;c6ce00126b2_1_ASR_pacman,5.6878,4.46539,5.66932,1.13028,595.782,1147.59,1015.31,0,0,0,2755.71,0.5308,0.469619,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-P 2ac 2ab,61,Zn,Yes,Zn,PACMAN-DDEC6,10.77330927,0.88184119,0.029273639,0.999266779,0.05717413,1.038712626,0.071662424,0.001568714,0.424223507,328,SI,10.1039/C6CE00126B,2016,2016,RSC,All Solvent Removed,TRUE,353.8,0.5161396,0.446571429,weak,
140,2016[Co][nan]3[ASR]1,c6ce00141f2_1_ASR_pacman,-,"[Co].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.sql,unknown.cat0;c6ce00141f2_1_ASR_pacman","[C8Co3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql,UNKNOWN.cat0;c6ce00141f2_1_ASR_pacman",9.5622,8.33335,9.5622,0.705297,1385.9,1964.67,2785.6,0,0,0,4846.16,0.687,0.974058,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,9.920886788,0.900091725,0.041430207,1.022083615,0.059472414,1.080985195,0.07439944,0.001808935,0.367926367,302,SI,10.1039/C6CE00141F,2016,2016,RSC,All Solvent Removed,TRUE,397.7,0.5858222,0.6,weak,
141,2016[Cd][nan]3[ASR]7,c6ce00141f2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c6ce00141f2_2_ASR_pacman,[C8Cd3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c6ce00141f2_2_ASR_pacman,10.7636,6.46187,10.7636,0.754034,2965.57,2029.89,2692.04,0,0,0,10136.1,0.6938,0.920118,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,10.98335974,0.814360202,0.034290857,0.925564254,0.049802887,0.981260011,0.065027866,0.001668998,0.322912157,604,SI,10.1039/C6CE00141F,2016,2016,RSC,All Solvent Removed,TRUE,350.2,0.44573367,0.72,weak,
142,2016[Zn][nan]2[ASR]1,c6ce00155f2_ASR_pacman,-,Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].n1cc([nH]c1)c1ccc(cc1)c1[nH]cnc1 MOFid-v1.unknown.cat0;c6ce00155f2_ASR_pacman,[C2O4Zn1_Type-1].[N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][C][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][NH1][C][=N][C][=Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;c6ce00155f2_ASR_pacman,3.6645,2.63718,3.64475,1.55981,0,0,0,6.30364,42.3382,27.1432,580.662,0.39,0.25003,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,10.92584063,0.858158634,0.02939788,0.96685055,0.059132614,1.021209395,0.071078475,0.001630508,0.378061858,128,SI,10.1039/C6CE00155F,2016,2016,RSC,All Solvent Removed,TRUE,324.9,0.59739184,0.485333333,superstrong_high_loading,
143,2017[Co][hcb]2[ASR]1,c6ce01965j2_2_ASR_pacman,-,COc1cc2Cc3cc(c4ccc(cc4)C(=O)[O-])c(cc3Cc3c(Cc2cc1c1ccc(cc1)C(=O)[O-])cc(OC)c(c3)c1ccc(cc1)C(=O)[O-])OC.[Co] MOFid-v1.hcb.cat1;c6ce01965j2_2_ASR_pacman,unknown,6.5579,5.55083,6.35689,0.99702,1676.98,1406.8,1411.01,0,0,0,6692.15,0.5614,0.563078,0,0,0,2,hcb,unnamed,hnb,unnamed,2,2,-P 2ac 2ab,61,Co,Yes,Co,PACMAN-DDEC6,9.319255521,0.968489784,0.037685761,1.076798856,0.057426842,1.163297621,0.05494304,0.001948078,0.387701323,768,SI,10.1039/C6CE01965J,2017,2017,RSC,All Solvent Removed,FALSE,357.7,0.42050087,0.39,strong,
144,2017[Cu][hcb]2[ASR]1,c6ce02351g2_6_ASR_pacman,-,[Cu].[O-]C(=O)CC(CC(=O)[O-])CC(=O)[O-].c1ccc(nc1)c1nc(c2ccccn2)c(nc1c1ccccn1)c1ccccn1 MOFid-v1.ERROR.cat1;c6ce02351g2_6_ASR_pacman,[C1Cu1O2_Type-1].[O-1][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1].[C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][C][=C][C][=C][N][=Ring1][=Branch1][C][=Branch1][=N][=N][C][=Ring1][N][C][C][=C][C][=C][N][=Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] MOFid-v2.ERROR.cat1;c6ce02351g2_6_ASR_pacman,9.58251,8.45898,9.58251,0.970064,716.643,1089.77,1123.4,18.756,28.5214,29.4016,4069.29,0.6188,0.637896,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,"-P 3 2""c",165,Cu,Yes,Cu,PACMAN-DDEC6,10.43914065,0.865884162,0.034018732,0.949351921,0.058385674,1.018437021,0.071431709,0.001525529,0.410622696,368,SI,10.1039/C6CE02351G,2017,2017,RSC,All Solvent Removed,FALSE,274.3,0.36100417,0.71,strong,
145,2017[Cd][hcb]2[ASR]1,c6ce02384c2_2_ASR_pacman,-,unknown,[C3Cd1O6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][Branch2][Ring1][N][C][C][Branch1][Ring2][C][Ring1][=Branch2][Branch1][Ring2][C][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat1;c6ce02384c2_2_ASR_pacman,6.93233,4.45124,6.85649,0.994083,334.804,1653.86,1663.71,0,0,0,1197.62,0.5916,0.595122,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,9.618057143,0.893170678,0.042255449,0.978801177,0.073662563,1.041760052,0.081648348,0.001485894,0.451181159,126,SI,10.1039/C6CE02384C,2017,2017,RSC,All Solvent Removed,FALSE,299.1,0.86058986,0.589411765,weak,
146,2017[ZnSi][nan]3[ASR]1,c6ce02639g2_1_ASR_pacman,-,N1=C[N]N([CH]1)c1ccc(cc1)C1=NN=N[N]1.[O-]C(=O)c1ccc(cc1)[Si](c1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])[Zn] MOFid-v1.sdf.cat1;c6ce02639g2_1_ASR_pacman,[C4O9Zn3_Type-1].[N][=C][NH0][N][Branch1][Ring2][CH1][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Si][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sdf.cat1;c6ce02639g2_1_ASR_pacman,6.19022,3.98017,6.14705,1.28641,485.834,1008.63,784.067,0,0,0,2493.15,0.5176,0.402359,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,"Zn,Si",Yes,Zn,PACMAN-DDEC6,11.80807063,0.829279809,0.025148734,0.931023308,0.049682334,0.975365706,0.061960387,0.001460859,0.400588972,316,SI,10.1039/C6CE02639G,2017,2017,RSC,All Solvent Removed,FALSE,303.4,0.91834986,0.46,strong,
147,2016[Co][sql]2[ASR]3,c6dt00349d2_1_ASR_pacman,-,C1=N[CH]N([N]1)Cc1ccc(cc1)Cn1cncn1.N1=C[N]N([CH]1)Cc1ccc(cc1)CN1[N]C=N[CH]1.[Co].[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c6dt00349d2_1_ASR_pacman,[C2Co1O4_Type-1].[C][=N][CH1][N][Branch1][Ring2][NH0][Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][Ring1][Branch1].[N][=C][NH0][N][Branch1][Ring2][CH1][Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][NH0][C][=N][CH1][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c6dt00349d2_1_ASR_pacman,4.87338,4.29506,4.87338,1.26453,195.773,617.603,488.405,0,0,0,1413.13,0.4458,0.352542,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2bc 2,64,Co,No,N/A,PACMAN-DDEC6,10.05786325,0.929080761,0.032392156,1.04237015,0.067101978,1.095299222,0.082697754,0.001662185,0.440485432,240,SI,10.1039/C6DT00349D,2016,2016,RSC,All Solvent Removed,TRUE,383.8,0.8221915,0.742,none,
148,2016[Co][sql]2[ASR]4,c6dt00349d2_2_ASR_pacman,-,[Co][Co].[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-].c1ncn(c1)Cc1ccc(cc1)Cn1cncc1 MOFid-v1.sql.cat0;c6dt00349d2_2_ASR_pacman,[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sql.cat0;c6dt00349d2_2_ASR_pacman,4.94127,3.17045,4.9372,1.46846,0,0,0,29.1949,267.621,182.246,419.78,0.3848,0.262044,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,10.48590859,0.909000247,0.032454814,1.022964951,0.066294508,1.065843392,0.080022516,0.001568431,0.450318526,92,SI,10.1039/C6DT00349D,2016,2016,RSC,All Solvent Removed,TRUE,347.4,0.89616543,0.55,none,
149,2016[La][sql]2[ASR]1,c6dt02195f2_2_ASR_pacman,-,COc1ccc(cc1C(=O)[O-])c1ccc(c(c1)C(=O)[O-])OC.[La] MOFid-v1.sql.cat0;c6dt02195f2_2_ASR_pacman,[C6La2O12_Type-1].[C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C] MOFid-v2.sql.cat0;c6dt02195f2_2_ASR_pacman,4.90147,3.39592,4.45492,1.38344,260.971,922.367,666.718,0,0,0,1324.14,0.468,0.338286,0,0,0,2,sql,unnamed,sql,unnamed,1,2,-P 1,2,La,Yes,La,PACMAN-DDEC6,11.33268827,0.847549495,0.026679367,0.945225891,0.040817512,1.014352701,0.04196418,0.001668032,0.351898141,208,SI,10.1039/C6DT02195F,2016,2016,RSC,All Solvent Removed,FALSE,402.6,0.66209984,0.98,none,
150,2017[Tm][nan]3[ASR]1,c6dt03755k2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)[CH][CH]c1ccc(cc1)C(=O)[O-].[Tm].[Tm][Tm] MOFid-v1.ERROR.cat0;c6dt03755k2_1_ASR_pacman,[Tm1_Type-1].[Tm2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH1][CH1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c6dt03755k2_1_ASR_pacman,10.0181,8.74126,10.0181,0.833314,1318.66,2105.05,2526.11,0,0,0,4450.13,0.7104,0.852499,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,C -2yc,9,Tm,Yes,Tm,PACMAN-DDEC6,12.77882463,0.695733542,0.0281009,0.772270189,0.054449127,0.809549579,0.062396187,0.00113816,0.360828305,246,SI,10.1039/C6DT03755K,2017,2017,RSC,All Solvent Removed,FALSE,555.8,0.8298796,0.63,none,
151,2017[Er][nan]3[ASR]1,c6dt03755k2_2_ASR_pacman,-,[Er].[Er][Er].[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)[CH][CH]c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;c6dt03755k2_2_ASR_pacman,[Er1_Type-1].[Er2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH1][CH1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c6dt03755k2_2_ASR_pacman,10.06968,8.83185,10.05254,0.816123,1333.05,2090.81,2561.88,0,0,0,4524.26,0.7096,0.869477,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,C -2yc,9,Er,Yes,Er,PACMAN-DDEC6,12.73796585,0.69684428,0.028748191,0.777147333,0.054162548,0.811952326,0.062977976,0.00115108,0.359103152,246,SI,10.1039/C6DT03755K,2017,2017,RSC,All Solvent Removed,FALSE,552.2,0.8263098,0.62,none,
152,2017[Zn][sql]2[ASR]2,c6dt03883b2_1_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[Zn].n1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;c6dt03883b2_1_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;c6dt03883b2_1_ASR_pacman,5.88419,4.79322,5.88419,0.951715,379.024,1436.44,1509.32,0,0,0,1499.8,0.5684,0.597237,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.001477381,0.946632144,0.041221568,1.054684869,0.084400744,1.10741769,0.10007148,0.001607855,0.473495493,168,SI,10.1039/C6DT03883B,2017,2017,RSC,All Solvent Removed,FALSE,311.8,0.69483316,0.78,weak,
153,2017[Zn][nan]2[ASR]2,c6dt03883b2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-].[Zn].[Zn][Zn].n1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat1;c6dt03883b2_3_ASR_pacman,[C1O2Zn1_Type-1].[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat1;c6dt03883b2_3_ASR_pacman,6.28877,4.52526,6.28877,0.980922,982.363,1441.05,1469.08,0,0,0,3925.22,0.5758,0.586999,0,0,0,2,mismatch,unnamed,mismatch,unnamed,2,2,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,9.321321852,0.92305324,0.04217135,1.02365463,0.083709563,1.075751316,0.092409196,0.001526981,0.473043123,432,SI,10.1039/C6DT03883B,2017,2017,RSC,All Solvent Removed,FALSE,325.5,0.5555179,0.736666667,weak,
154,2017[Co][sql]2[ASR]1,c6dt04551k2_ASR_pacman,-,OC(=O)c1cc(cc(c1)Oc1ccccc1C(=O)[O-])Oc1ccccc1C(=O)[O-].[Co].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat1;c6dt04551k2_ASR_pacman,[C2Co1O4_Type-2].[O][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c6dt04551k2_ASR_pacman,5.49014,3.54007,5.46518,1.21542,458.744,690.965,568.497,0,0,0,3010.21,0.4534,0.373039,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-P 2ac 2ab,61,Co,Yes,Co,PACMAN-DDEC6,9.797295081,0.947081748,0.032181616,1.06376532,0.069794742,1.11759612,0.08469859,0.001705144,0.446014094,496,SI,10.1039/C6DT04551K,2017,2017,RSC,All Solvent Removed,FALSE,314.2,0.58871794,0.89,superstrong_high_loading,
155,2017[Cd][nan]3[ASR]3,c6dt04630d2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;c6dt04630d2_ASR_pacman,[Cd3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c6dt04630d2_ASR_pacman,12.35673,11.5506,12.35673,1.38141,241.048,1595.6,1155.05,0,0,0,1035.74,0.6856,0.496304,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-R 3,148,Cd,Yes,Cd,PACMAN-DDEC6,23.27332667,0.532118095,0.007429004,0.588802743,0.014483871,0.631731636,0.012868834,0.000996135,0.235570098,54,SI,10.1039/C6DT04630D,2017,2017,RSC,All Solvent Removed,FALSE,380.7,0.9498073,0.291538462,weak,
156,2017[FeCr][hcb]2[ASR]1,c6dt04900a2_2_ASR_pacman,-,unknown,unknown,6.98109,4.25753,6.45831,1.23299,480.202,1348.06,1093.33,0,0,0,1932.83,0.5426,0.440068,0,0,0,2,hcb,unnamed,hcb,unnamed,1,2,-P 1,2,"Fe,Cr",No,N/A,PACMAN-DDEC6,12.83970951,0.84771649,0.019079791,0.959259556,0.029274395,1.015653027,0.038723527,0.001679365,0.353098481,206,SI,10.1039/C6DT04900A,2017,2017,RSC,All Solvent Removed,FALSE,285.2,0.6925333,0.38,strong,
157,2017[CuEu][sql]2[ASR]1,c6gc02833k2_ASR_pacman,-,I[Cu][Cu]I.[Eu].[O-]C(=O)c1ccncc1 MOFid-v1.sql.cat0;c6gc02833k2_ASR_pacman,unknown,6.92453,5.91349,6.92453,1.13764,454.899,2402.42,2111.75,0,0,0,1311.82,0.6928,0.608979,0,0,0,2,sql,unnamed,sql,unnamed,1,2,-P 1,2,"Cu,Eu",Yes,Eu,PACMAN-DDEC6,19.65522091,0.555756838,0.01521459,0.60669292,0.024009148,0.657026971,0.032834276,0.001012701,0.252046777,66,SI,10.1039/C6GC02833K,2017,2017,RSC,All Solvent Removed,FALSE,325.4,0.7248337,0.4205,superstrong_high_loading,
158,2017[Co][sql]2[ASR]2,c6nj03278h2_ASR_pacman,-,O.[Co].[O-]C(=O)C1CCC(CC1)C(=O)[O-] MOFid-v1.ERROR.cat1;c6nj03278h2_ASR_pacman,[Co1_Type-1].[O].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat1;c6nj03278h2_ASR_pacman,4.25315,3.76589,4.18662,1.20567,77.511,569.362,472.238,0,0,0,691.574,0.508,0.421343,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,9.504272115,0.980986722,0.05027007,1.061521966,0.079274837,1.122365621,0.087478213,0.001413789,0.560131955,104,SI,10.1039/C6NJ03278H,2017,2017,RSC,All Solvent Removed,FALSE,336,0.79121643,0.47,none,
159,2017[CdSi][nan]3[ASR]1,c6nj03470e2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])[Si](c1cc(cc(c1)C(=O)[O-])C(=O)[O-])(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C MOFid-v1.unknown.cat0;c6nj03470e2_ASR_pacman,[C6Cd3O12_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Si][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C] MOFid-v2.UNKNOWN.cat0;c6nj03470e2_ASR_pacman,5.70001,4.0069,5.67007,1.58377,418.552,1147.56,724.573,0,0,0,1863.78,0.511,0.322647,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,"Cd,Si",Yes,Cd,PACMAN-DDEC6,16.40894491,0.662348245,0.011675257,0.733790364,0.029318013,0.775253907,0.033252277,0.001129057,0.328627685,212,SI,10.1039/C6NJ03470E,2017,2017,RSC,All Solvent Removed,FALSE,135.1,0.7374973,0.48,none,
160,2017[Zn][nan]3[ASR]1,c6qi00362a2_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(c(c1)C(=O)[O-])[O].[Zn].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;c6qi00362a2_ASR_pacman,[C6O12Zn4_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][OH0].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c6qi00362a2_ASR_pacman,6.83229,2.91537,6.82667,1.28721,0,0,0,242.009,1088.21,845.403,1271.19,0.5716,0.444061,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,14.36533133,0.748950353,0.015851701,0.831980604,0.03126414,0.887537041,0.038688903,0.001385867,0.337769257,120,SI,10.1039/C6QI00362A,2017,2017,RSC,All Solvent Removed,FALSE,305.3,0.8681661,0.680357143,superstrong_high_loading,
161,2017[Fe][nan]3[ASR]1,c6qi00381h2_ASR_pacman,-,CN(c1c(F)c(F)c(c(c1F)F)C1=C2C=CC(=C(c3ccc(cc3)n3ccnc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccc(cc1)n1ccnc1)[N]4)c1c(F)c(F)c(c(c1F)F)N(C)C)C=C3)[N]2)C.[Fe] MOFid-v1.ERROR.cat0;c6qi00381h2_ASR_pacman,[Fe1_Type-1].[C][N][Branch2][#Branch2][#Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=C][C][=C][C][=Branch2][Branch2][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][=Branch2][=Branch1][#Branch1][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][O][=C][N][=C][Ring2][Ring1][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][NH0][Ring2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][N][Branch1][C][C][C][C][=C][Ring2][Ring2][=Branch2][NH0][Ring2][Branch1][#Branch2][C] MOFid-v2.ERROR.cat0;c6qi00381h2_ASR_pacman,14.63467,10.9264,14.63467,0.557505,1737.77,1415.05,2538.19,114.438,93.1862,167.149,9404.49,0.7658,1.37362,0,0,0,3,unstable,unnamed,unstable,unnamed,1,2,I 4bw -1bw,88,Fe,No,N/A,PACMAN-DDEC6,9.633149398,0.918246946,0.032849259,1.03053078,0.066640887,1.097324729,0.075828301,0.001790778,0.388595243,428,SI,10.1039/C6QI00381H,2017,2017,RSC,All Solvent Removed,TRUE,366.7,0.84484583,0.69,weak,
162,2017[In][sea]3[ASR]1,c6qi00440g2_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)C(=O)[O-])C=C3)c1ccc(cc1)C(=O)[O-])[nH]2)c1ccc(cc1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;c6qi00440g2_ASR_pacman,[In1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch2][=Branch1][=Branch1][=C][C][=C][C][=Branch2][Branch1][O][=C][Branch2][Ring2][Branch2][C][=N][C][=Branch2][Ring1][=N][=C][Branch1][O][C][NH1][C][Ring2][Ring1][Ring1][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH1][Ring2][Ring2][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;c6qi00440g2_ASR_pacman,7.89324,5.37061,6.19872,0.873391,447.385,2240.19,2564.93,0,0,0,1345.64,0.6738,0.771476,0,0,0,3,sea,unnamed,unnamed,unnamed,1,2,-C 2 2,65,In,No,N/A,PACMAN-DDEC6,11.41731217,0.801152114,0.037445363,0.885856798,0.056877573,0.951215899,0.071044509,0.001500638,0.354185025,92,SI,10.1039/C6QI00440G,2017,2017,RSC,All Solvent Removed,TRUE,323.8,0.2976848,0.47,weak,
163,2017[Zn][crb]3[ASR]1,c6qi00526h2_ASR_pacman,-,unknown,unknown,9.06841,8.49257,9.0647,0.87931,811.85,1752.75,1993.33,0,0,0,3075.55,0.664,0.755138,0,0,0,3,crb,bct,unnamed,unnamed,1,2,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.79143577,0.823969739,0.022065054,0.921294027,0.045720161,0.967437053,0.056798289,0.001434673,0.402098007,208,SI,10.1039/C6QI00526H,2017,2017,RSC,All Solvent Removed,FALSE,348.9,0.36349803,0.63,weak,
164,2016[Cd][nan]3[ASR]8,c6ra01647b2_2_ASR_pacman,-,unknown,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c6ra01647b2_2_ASR_pacman,4.21465,2.85487,4.21465,1.32728,0,0,0,176.88,334.16,251.763,2391.5,0.4518,0.340395,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2n 2ab,60,Cd,No,N/A,PACMAN-DDEC6,9.793707037,0.896965192,0.043063459,0.99626741,0.07773913,1.052447346,0.085192499,0.001554822,0.437705777,432,SI,10.1039/C6RA01647B,2016,2016,RSC,All Solvent Removed,TRUE,307,0.38994926,0.618639995,strong,
165,2016[Cd][nan]2[ASR]1,c6ra01933a2_1_ASR_pacman,-,[Cd][O]([Cd][OH2]1[Cd][OH2]([Cd]1)[Cd][O]([Cd])[Cd])[Cd].[O-]C(=O)CN(C1=NC(=[N]=C([N]1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] MOFid-v1.unknown.cat0;c6ra01933a2_1_ASR_pacman,unknown,4.06616,2.66688,4.05694,2.53681,0,0,0,16.3685,131.342,51.7746,446.407,0.3582,0.141201,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,2,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,17.96127283,0.624942289,0.014202677,0.671217991,0.027528281,0.724790468,0.030961428,0.000998482,0.324181623,106,SI,10.1039/C6RA01933A,2016,2016,RSC,All Solvent Removed,FALSE,361.5,0.83740556,0.75,unknown,
166,2016[Zn][kgd]2[ASR]1,c6ra10144e2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn][OH]1[Zn][OH]([Zn]1)[Zn] MOFid-v1.kgd.cat0;c6ra10144e2_ASR_pacman,unknown,5.37644,2.95718,5.37644,1.18629,0,0,0,382.818,1009.45,850.927,1966.71,0.5186,0.43716,0,0,0,2,kgd,unnamed,kgd,unnamed,1,2,-P 2ybc,14,Zn,No,N/A,PACMAN-DDEC6,10.41978892,0.867167356,0.035152972,0.974961793,0.068326379,1.021327912,0.075565971,0.001541606,0.414923741,260,SI,10.1039/C6RA10144E,2016,2016,RSC,All Solvent Removed,FALSE,384.5,0.7304377,0.758319923,strong,
167,2017[Eu][kgd]2[ASR]1,c6ra25681c2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c6ra25681c2_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c6ra25681c2_ASR_pacman,6.75856,5.03361,6.74899,1.05574,352.997,1910.44,1809.58,0,0,0,1117.14,0.6046,0.57268,0,0,0,2,kgd,unnamed,kgd,unnamed,1,2,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,11.9871102,0.762103953,0.027973721,0.849271947,0.054713746,0.893731927,0.064029586,0.00131628,0.37433803,98,SI,10.1039/C6RA25681C,2017,2017,RSC,All Solvent Removed,FALSE,491.7,0.57333326,0.897692308,none,
168,2017[Cd][sql]2[ASR]3,c6ra26855b2_ASR_pacman,-,C(Cc1ccncc1)Cc1ccncc1.[Cd].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat3;c6ra26855b2_ASR_pacman,[C2Cd1O4_Type-1].[C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat3;c6ra26855b2_ASR_pacman,5.59392,3.363,5.57947,1.23008,206.147,673.441,547.479,0,0,0,1504.22,0.4914,0.399487,0,0,0,2,sql,unnamed,sql,unnamed,4,2,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,9.945350526,0.872177802,0.043353867,0.972506195,0.078387657,1.019360666,0.089231273,0.001471829,0.439541531,228,SI,10.1039/C6RA26855B,2017,2017,RSC,All Solvent Removed,FALSE,330.6,0.80969334,0.402892157,superstrong_high_loading,
169,2017[Zn][lon]3[ASR]1,c6ra28728j2_2_ASR_pacman,-,unknown,"[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O-1] MOFid-v2.hcb,zyl.cat1;c6ra28728j2_ASR_pacman",4.73804,2.58755,4.45784,1.19694,0,0,0,230.496,751.293,627.68,1535.22,0.5004,0.418068,0,0,0,3,lon,unnamed,zyl,unnamed,2,2,-P 2ybc,14,Zn,No,N/A,PACMAN-DDEC6,10.05167964,0.900186974,0.032666694,1.009306373,0.066292768,1.06481672,0.076494116,0.001646297,0.415232577,220,SI,10.1039/C6RA28728J,2017,2017,RSC,All Solvent Removed,TRUE,392.3,0.58258754,0.74,strong,
170,2017[Cd][lon]3[ASR]1,c6ra28728j2_ASR_pacman,-,"[Cd].[O-]C(=O)c1cc(Oc2ccc(cc2)c2cc(nc(c2)c2ccncc2)c2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.hcb,zyl.cat1;c6ra28728j2_ASR_pacman","[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O-1] MOFid-v2.hcb,zyl.cat1;c6ra28728j2_2_ASR_pacman",5.10322,2.6955,5.0839,1.2961,0,0,0,162.744,529.382,408.443,1452.88,0.4726,0.364633,0,0,0,3,lon,unnamed,zyl,unnamed,2,2,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,10.90678873,0.841403052,0.031496478,0.958445763,0.04812213,1.008153505,0.064472783,0.001667505,0.352374189,220,SI,10.1039/C6RA28728J,2017,2017,RSC,All Solvent Removed,FALSE,350,0.6064872,0.92,strong,
171,2017[V][nan]3[ASR]1,c6sc04343g2_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].[V] MOFid-v1.unknown.cat0;c6sc04343g2_ASR_pacman,[V4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;c6sc04343g2_ASR_pacman,7.31261,7.0938,7.31261,1.11073,222.861,1612.92,1452.13,0,0,0,810.795,0.5868,0.528303,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,I 4bw 2bw,98,V,No,N/A,PACMAN-DDEC6,12.83643667,0.846022953,0.021100372,0.93094547,0.039551175,0.996590611,0.046419625,0.001505677,0.397532875,72,SI,10.1039/C6SC04343G,2017,2017,RSC,All Solvent Removed,TRUE,538.1,0.6746678,0.637032967,weak,
172,2017[Eu][nan]3[ASR]2,c6ta10152f2_ASR_pacman,-,OC(P(=O)(O)[O])c1ccc(cc1)C(P(=O)(O)[O])O.OC(P(=O)(O)[O])c1ccc(cc1)C(P(=O)([O])O)O.[Eu] MOFid-v1.unknown.cat0;c6ta10152f2_ASR_pacman,[Eu1_Type-1].[O][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][OH0][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][OH0][O].[O][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][OH0][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][OH0][O][O] MOFid-v2.UNKNOWN.cat0;c6ta10152f2_ASR_pacman,5.69914,3.57907,5.69914,1.37889,229.792,1600.47,1160.69,0,0,0,796.856,0.555,0.402497,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,13.86338572,0.758608961,0.023717968,0.856239598,0.042435071,0.904819212,0.045782494,0.001462103,0.328153376,86,SI,10.1039/C6TA10152F,2017,2017,RSC,All Solvent Removed,FALSE,312.6,0.93150187,0.88,superstrong_high_loading,
173,2017[Cu][nan]3[ASR]5,c6ta11242k2_1_ASR_pacman,-,CC1=C(C(=N[N]1)C)N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C1=C(C)N=N[C]1C.CC1=NN=C([C]1N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C1=C(C)[N]N=C1C)C.C[C]1N=NC(=C1N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)[C]1C(=NN=C1C)C)C.[Cu].[Cu][Cu] MOFid-v1.pcu.cat1;c6ta11242k2_1_ASR_pacman,[C30Cu6H36N12_Type-3].[C][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=N][NH0][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][Branch1][C][C][N][=N][CH0][Ring1][=Branch1][C].[C][C][=N][N][=C][Branch2][Branch1][Ring1][CH0][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][Branch1][C][C][NH0][N][=C][Ring1][=Branch1][C][C].[C][CH0][N][=N][C][=Branch2][Branch1][Ring1][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][CH0][C][=Branch1][#Branch1][=N][N][=C][Ring1][Branch1][C][C][C] MOFid-v2.pcu.cat1;c6ta11242k2_1_ASR_pacman,8.035,4.37134,7.37881,1.12272,781.448,1519.5,1353.41,0,0,0,3003.4,0.584,0.520167,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,I -4,82,Cu,Yes,Cu,PACMAN-DDEC6,11.14449308,0.852464328,0.025825265,0.941360919,0.056931653,1.00525011,0.066104591,0.001527858,0.398274883,312,SI,10.1039/C6TA11242K,2017,2017,RSC,All Solvent Removed,TRUE,409,0.94134355,0.6,weak,
174,2017[Cu][nan]3[ASR]6,c6ta11242k2_3_ASR_pacman,-,CC1=NN=C([C]1N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C1=C(C)[N]N=C1C)C.CC1=N[N]C(=C1N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C1=C(C)[N]N=C1C)C.O=C1N([C]2C(=NN=C2C)C)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)[C]1C(=NN=C1C)C.[Cu].[Cu][Cu] MOFid-v1.pcu.cat1;c6ta11242k2_3_ASR_pacman,[C30Cu6H36N12_Type-4].[C][C][=N][N][=C][Branch2][Branch1][Ring1][CH0][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][Branch1][C][C][NH0][N][=C][Ring1][=Branch1][C][C].[C][C][=N][NH0][C][=Branch2][Branch1][Ring1][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][Branch1][C][C][NH0][N][=C][Ring1][=Branch1][C][C].[O][=C][N][Branch1][N][CH0][C][=Branch1][#Branch1][=N][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Ring1][=C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][CH0][C][=Branch1][#Branch1][=N][N][=C][Ring1][Branch1][C][C] MOFid-v2.pcu.cat1;c6ta11242k2_3_ASR_pacman,7.51719,4.17605,7.42372,1.13364,765.267,1502.51,1325.39,0,0,0,2864.45,0.5624,0.496102,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,I -4,82,Cu,Yes,Cu,PACMAN-DDEC6,11.14449308,0.852165447,0.026485931,0.94002134,0.057030305,1.007791138,0.065783336,0.001556257,0.38863606,312,SI,10.1039/C6TA11242K,2017,2017,RSC,All Solvent Removed,FALSE,408.4,0.9434183,0.6,weak,
175,2016[Zn][nan]2[ASR]2,c6tc00116e2_ASR_pacman,-,"C(Cc1ccncc1)Cc1ccncc1.[O-]C(=O)CN(C1=NC(=[N]=C([N]1)N(CC(=O)[O-])CC(=O)[O-])N1CCN(CC1)C1=NC(=[N]=C([N]1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Zn] MOFid-v1.mcm,unknown.cat0;c6tc00116e2_ASR_pacman",unknown,6.15089,4.65972,6.12558,1.53087,258.484,488.168,318.883,0,0,0,2233.42,0.4218,0.27553,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,10.99390288,0.884908794,0.03083054,0.974391777,0.053352042,1.032046997,0.064535941,0.001471382,0.448798814,444,SI,10.1039/C6TC00116E,2016,2016,RSC,All Solvent Removed,FALSE,368.3,0.7990906,0.36,superstrong_high_loading,
176,2017[Co][nan]3[ASR]2,c6tc05082d2_ASR_pacman,-,[Co].[O-]C(=O)C1=CC2=NN=NC2=C[CH]1.[O-]C(=O)C1=CC=C2C(=NN=N2)[CH]1.[O-]C(=O)c1ccc2c(c1)N=N[N]2.[OH] MOFid-v1.unknown.cat0;c6tc05082d2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][=Branch1][=N][N][=N][Ring1][Branch1][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][NH0][Ring1][=Branch1].[OH1] MOFid-v2.UNKNOWN.cat0;c6tc05082d2_ASR_pacman,5.78961,4.85187,5.78961,1.51985,140.513,1206.34,793.718,0,0,0,576.571,0.495,0.325689,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,14.40674338,0.752692408,0.017182998,0.852243293,0.028695929,0.898373464,0.03505918,0.001456811,0.324552694,74,SI,10.1039/C6TC05082D,2017,2017,RSC,All Solvent Removed,FALSE,456.6,0.90964353,0.690666667,weak,
177,2017[Tb][nan]3[ASR]1,c6tc05349a2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Tb] MOFid-v1.qtz.cat0;c6tc05349a2_ASR_pacman,[C8O16Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.qtz.cat0;c6tc05349a2_ASR_pacman,7.11031,6.37447,7.11031,1.26291,524.188,989.715,783.676,6.90006,13.028,10.3158,2856.85,0.5394,0.427108,0,0,0,3,unnamed,unnamed,unnamed,unnamed,3,3,P 64 2c (0 0 -1),181,Tb,No,N/A,PACMAN-DDEC6,12.20629073,0.769243006,0.030919543,0.860791916,0.05388589,0.903701091,0.062678933,0.001344581,0.373975373,330,SI,10.1039/C6TC05349A,2017,2017,RSC,All Solvent Removed,FALSE,263.4,0.91335833,0.81,weak,
178,2017[Zn][nan]3[ASR]2,c7cc01063j2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)n1nnc(c1)c1cc(cc(c1)c1nnn(c1)c1ccc(cc1)C(=O)[O-])c1nnn(c1)c1ccc(cc1)C(=O)[O-].[Zn].[Zn]O[Zn] MOFid-v1.ERROR.cat0;c7cc01063j2_ASR_pacman,[C12O25Zn6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=N][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=C][C][=Branch2][Ring1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][=N][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][N][=N][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c7cc01063j2_ASR_pacman,18.21119,15.60206,18.19126,0.462869,3188.37,1504.01,3249.31,0,0,0,17357.9,0.8188,1.76897,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,C 2c 2,20,Zn,Yes,Zn,PACMAN-DDEC6,10.90217815,0.864453712,0.026312489,0.972914892,0.051960476,1.030791619,0.06081757,0.001663379,0.373870735,542,SI,10.1039/C7CC01063J,2017,2017,RSC,All Solvent Removed,FALSE,340.4,0.4945388,0.76,strong,
179,2017[Cu][sqp]2[ASR]1,c7cc01461a2_ASR_pacman,-,[Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat3;c7cc01461a2_ASR_pacman,unknown,6.9917,3.97103,6.81849,0.920981,1157.23,1579.12,1714.61,5.08599,6.9402,7.53565,4439.49,0.6058,0.657777,0,0,0,2,sqp,unnamed,sqp,unnamed,2,3,P 2ac 2ab,19,Cu,Yes,Cu,PACMAN-DDEC6,9.585879245,0.908606157,0.045526112,1.015943469,0.084398414,1.05508393,0.094404655,0.001464778,0.48053898,424,SI,10.1039/C7CC01461A,2017,2017,RSC,All Solvent Removed,FALSE,unknown,unknown,unknown,none,
180,2017[Zn][nbo]3[ASR]1,c7cc01554b2_2_ASR_pacman,-,unknown,"[C4O8Zn2_Type-1].[C][C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=Branch2][Ring2][=Branch1][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][O][C][Branch1][Ring1][C][C][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C] MOFid-v2.nbo,fof.cat0;c7cc01554b2_2_ASR_pacman",9.8599,4.91439,9.80275,0.85444,767.878,1944.54,2275.81,0,0,0,2627.59,0.6654,0.778755,0,0,0,3,nbo,unnamed,fof,unnamed,1,3,R 3,146,Zn,Yes,Zn,PACMAN-DDEC6,9.960021176,0.940914687,0.032893999,1.046493877,0.055011853,1.131643213,0.05039177,0.001907285,0.372134084,204,SI,10.1039/C7CC01554B,2017,2017,RSC,All Solvent Removed,FALSE,331.3,0.5337396,0.82,unknown,
181,2017[Cd][sql]2[ASR]4,c7cc02139a2_1_ASR_pacman,-,"Cl[Cd]Cl.n1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.sql,bex.cat0;c7cc02139a2_1_ASR_pacman","[Cd1Cl2_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql,bex.cat0;c7cc02139a2_1_ASR_pacman",7.11368,5.92665,7.11368,0.898524,244.417,1604.83,1786.07,0,0,0,918.071,0.6028,0.670878,0,0,0,2,sql,unnamed,sql,unnamed,1,3,I 2 2,23,Cd,No,N/A,PACMAN-DDEC6,9.695177412,0.869904133,0.045696138,0.967397214,0.085912269,0.998359475,0.090613738,0.001284553,0.495626581,85,SI,10.1039/C7CC02139A,2017,2017,RSC,All Solvent Removed,TRUE,356,0.119158804,0.627692308,weak,
182,2017[Tb][nan]3[ASR]2,c7cc05805e2_ASR_pacman,-,[O-]C(=O)c1cc(c2ccc(cc2)C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])C(=O)[O-].[Tb] MOFid-v1.sql.cat0;c7cc05805e2_ASR_pacman,[C8O16Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][C][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=C][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7cc05805e2_ASR_pacman,5.90634,4.81591,5.89969,1.34373,199.228,1436.27,1068.87,0,0,0,742.943,0.5356,0.398592,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Tb,No,N/A,PACMAN-DDEC6,13.68866707,0.719614745,0.021394494,0.80094196,0.039995646,0.848013182,0.048316928,0.001283984,0.34012877,82,SI,10.1039/C7CC05805E,2017,2017,RSC,All Solvent Removed,TRUE,431.4,0.7705591,0.9,strong,
183,2017[CuTi][pcu]3[ASR]1,c7cc05882a2_ASR_pacman,-,[Cu].n1ccc(cc1)c1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat1;c7cc05882a2_ASR_pacman,unknown,6.95106,6.36902,6.95106,1.26169,120.577,663.91,526.205,25.1249,138.34,109.646,909.175,0.5006,0.396768,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2c 2,63,"Cu,Ti",No,N/A,PACMAN-DDEC6,10.14651734,0.894745605,0.034390199,0.998473031,0.058729118,1.071877855,0.07599248,0.001771322,0.368402625,136,SI,10.1039/C7CC05882A,2017,2017,RSC,All Solvent Removed,TRUE,320.2,0.87632596,0.53,unknown,
184,2017[Zn][sql]3[ASR]2,c7cc06074b5_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.sql.cat1;c7cc06074b5_1_ASR_pacman,unknown,5.81954,3.69681,5.81954,1.27769,249.511,822.734,643.921,0,0,0,1470.86,0.485,0.37959,0,0,0,3,sql,unnamed,sql,unnamed,2,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,10.80293462,0.882975522,0.025417178,1.010343117,0.039254341,1.072769722,0.052655309,0.001897942,0.324416417,216,SI,10.1039/C7CC06074B,2017,2017,RSC,All Solvent Removed,FALSE,341.8,0.8783813,0.64,weak,
185,2017[Zn][dia]3[ASR]3,c7cc06074b5_10_ASR_pacman,-,Cc1sc(cc1C1=C(c2cc(sc2C)c2ccncc2)C(C(C1(F)F)(F)F)(F)F)c1ccncc1.[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.dia.cat0;c7cc06074b5_10_ASR_pacman,[C2O4Zn1_Type-1].[C][C][S][C][=Branch2][Ring2][P][=C][C][=Ring1][Branch1][C][=C][Branch2][Ring1][Ring1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][#C][C][Branch1][Branch2][C][Ring1][P][Branch1][C][F][F][Branch1][C][F][F][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;c7cc06074b5_10_ASR_pacman,9.58799,9.15532,9.57654,1.07479,506.736,990.133,921.231,0,0,0,2829.15,0.5528,0.514331,0,0,0,3,dia,unnamed,dia,unnamed,5,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.61691384,0.897386054,0.028490502,1.008307559,0.063810576,1.060295822,0.070581465,0.001629098,0.418478958,312,SI,10.1039/C7CC06074B,2017,2017,RSC,All Solvent Removed,TRUE,371.7,0.61485857,0.68,weak,
186,2017[Zn][dia]3[ASR]4,c7cc06074b5_2_ASR_pacman,-,Cc1sc(cc1C1=C(c2cc(sc2C)c2ccncc2)C(C(C1(F)F)(F)F)(F)F)c1ccncc1.[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.dia.cat0;c7cc06074b5_2_ASR_pacman,[C2O4Zn1_Type-1].[C][C][S][C][=Branch2][Ring2][P][=C][C][=Ring1][Branch1][C][=C][Branch2][Ring1][Ring1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][#C][C][Branch1][Branch2][C][Ring1][P][Branch1][C][F][F][Branch1][C][F][F][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;c7cc06074b5_2_ASR_pacman,9.20401,8.7686,9.17427,1.0858,493.885,974.907,897.869,0,0,0,2766.02,0.546,0.502855,0,0,0,3,dia,unnamed,dia,unnamed,5,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,10.61691384,0.898728399,0.026026483,1.034147804,0.041236455,1.099855768,0.051133975,0.002011274,0.306964875,312,SI,10.1039/C7CC06074B,2017,2017,RSC,All Solvent Removed,FALSE,373.4,0.6139616,0.68,weak,
187,2017[Zn][dia]3[ASR]5,c7cc06074b5_3_ASR_pacman,-,Cc1sc(cc1C1=C(c2cc(sc2C)c2ccncc2)C(C(C1(F)F)(F)F)(F)F)c1ccncc1.[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.dia.cat0;c7cc06074b5_3_ASR_pacman,[C2O4Zn1_Type-1].[C][C][S][C][=Branch2][Ring2][P][=C][C][=Ring1][Branch1][C][=C][Branch2][Ring1][Ring1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][#C][C][Branch1][Branch2][C][Ring1][P][Branch1][C][F][F][Branch1][C][F][F][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;c7cc06074b5_3_ASR_pacman,9.65194,9.16394,9.65194,1.06105,513.792,991.08,934.059,0,0,0,2915.57,0.5624,0.530043,0,0,0,3,dia,unnamed,dia,unnamed,5,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,10.61691384,0.895273461,0.027574191,1.009489511,0.063501129,1.059085903,0.071219901,0.001638124,0.414606077,312,SI,10.1039/C7CC06074B,2017,2017,RSC,All Solvent Removed,TRUE,371.1,0.6124894,0.67,weak,
188,2017[Zn][pcu]3[ASR]5,c7cc06074b5_5_ASR_pacman,-,CCc1sc(cc1C1=C(c2cc(sc2CC)c2ccncc2)C(C(C1(F)F)(F)F)(F)F)c1ccncc1.[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.pcu.cat1;c7cc06074b5_5_ASR_pacman,[C4O8Zn2_Type-1].[C][C][C][S][C][=Branch2][Branch1][Ring1][=C][C][=Ring1][Branch1][C][=C][Branch2][Ring1][Ring2][C][C][=C][Branch1][#Branch1][S][C][=Ring1][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][S][C][Branch1][=Branch2][C][Ring2][Ring1][C][Branch1][C][F][F][Branch1][C][F][F][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;c7cc06074b5_5_ASR_pacman,6.24664,3.23188,6.24602,1.19856,0,0,0,265.203,801.736,668.913,1692.97,0.5118,0.427011,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.5642669,0.900360773,0.027246584,1.032882976,0.037416009,1.095047684,0.05166853,0.001946869,0.328026297,226,SI,10.1039/C7CC06074B,2017,2017,RSC,All Solvent Removed,FALSE,351.2,0.874226,0.64,weak,
189,2018[CeZn][she]3[ASR]1,c7cc08200b2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Zn]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)C(=O)[O-])cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Ce]34[O]5[Ce]62[O]2[Ce]71[O]4[Ce]14[O]3[Ce]35[O]6[Ce]2([O]71)[O]43 MOFid-v1.she.cat0;c7cc08200b2_2_ASR_pacman,unknown,23.2696,14.5945,23.2696,0.548192,5188.32,1703.29,3107.1,0,0,0,25166.6,0.8262,1.50714,6.09213,0.0002,0.000364836,3,she,unnamed,sqc13549,unnamed,1,3,-I 4 2 3,229,"Ce,Zn",Yes,Zn,PACMAN-DDEC6,15.19006091,0.702659756,0.010800891,0.771536058,0.012604495,0.853848367,0.011029752,0.001511886,0.246854588,662,SI,10.1039/C7CC08200B,2018,2018/12/8,RSC,All Solvent Removed,TRUE,278.7,0.5037834,0.59,strong,
190,2018[Ce][csq]3[ASR]1,c7cc08200b2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Ce]34[O]5[Ce]62[O]2[Ce]71[O]4[Ce]14[O]3[Ce]35[O]6[Ce]2([O]71)[O]43 MOFid-v1.csq.cat0;c7cc08200b2_3_ASR_pacman,unknown,23.51979,17.73807,23.51979,0.557854,4470.96,1883.45,3376.25,0,0,0,19261.1,0.8114,1.4545,4.74763,0.0002,0.000358517,3,csq,unnamed,csq,unnamed,1,3,-P 6 2,191,Ce,No,N/A,PACMAN-DDEC6,13.42542545,0.754091264,0.006453427,0.842921628,0.008970642,0.938492363,0.008758959,0.001844011,0.199764572,594,SI,10.1039/C7CC08200B,2018,2018/12/8,RSC,All Solvent Removed,TRUE,349.5,0.65594196,0.66,strong,
191,2018[Ce][scu]3[ASR]1,c7cc08200b2_4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Ce]34[O]5[Ce]62[O]2[Ce]71[O]4[Ce]14[O]3[Ce]35[O]6[Ce]2([O]71)[O]43 MOFid-v1.scu.cat0;c7cc08200b2_4_ASR_pacman,unknown,12.44211,8.55177,12.44211,0.669755,1460.72,2216.34,3309.17,0,0,0,5020.78,0.7618,1.13743,2.63627,0.0004,0.000597233,3,scu,unnamed,scu,unnamed,1,3,-C 2 2,65,Ce,No,N/A,PACMAN-DDEC6,13.42542545,0.758462784,0.006104777,0.845553072,0.009244393,0.942261782,0.008790811,0.00183799,0.205462721,198,SI,10.1039/C7CC08200B,2018,2018/12/8,RSC,All Solvent Removed,TRUE,413.4,0.36545515,0.65,superstrong,
192,2019[GaCu][agw]3[ASR]1,c7cc09484a2_ASR_pacman,-,[Cu][Cu].[Ga][O]([Ga])[Ga].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.agw.cat0;c7cc09484a2_ASR_pacman,[C4Cu2O8_Type-1].[C6Ga3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.agw.cat0;c7cc09484a2_ASR_pacman,13.89369,9.71033,13.88485,0.639629,2503.1,2090.83,3268.81,0,0,0,9275.76,0.7748,1.21133,0,0,0,3,agw,unnamed,agw,unnamed,1,3,-P 6c 2c,194,"Ga,Cu",Yes,"Ga,Cu",PACMAN-DDEC6,12.9534791,0.798144116,0.021158738,0.893346757,0.036546723,0.954459413,0.047856842,0.001563153,0.334879887,356,SI,10.1039/C7CC09484A,2019,2019/1/30,RSC,All Solvent Removed,FALSE,274,0.90478027,0.493076923,weak,
193,2017[Cu][sql]2[ASR]1,c7ce00078b2_1_ASR_pacman,-,unknown,unknown,7.85652,7.16989,7.84379,0.910783,684.151,2001.01,2197.02,0,0,0,2312.63,0.6764,0.742658,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,13.02270278,0.775107623,0.022525201,0.861490014,0.033690749,0.923198158,0.048164231,0.001480905,0.334948392,144,SI,10.1039/C7CE00078B,2017,2017,RSC,All Solvent Removed,FALSE,315.2,0.29126728,0.275,weak,
194,2017[Cd][kgd]2[ASR]1,c7ce00156h2_5_ASR_pacman,-,"[Cd].[O-]C(=O)c1cc(OCc2ccccc2C(=O)[O-])cc(c1)C(=O)[O-].[O][Cd] MOFid-v1.sdf,sql.cat1;c7ce00156h2_5_ASR_pacman","[C6Cd3O13_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][P][C][=Branch1][C][=O][O-1] MOFid-v2.sdf,sql.cat1;c7ce00156h2_5_ASR_pacman",5.18297,4.1737,5.16985,1.58081,297.14,721.825,456.618,0,0,0,2009.68,0.4882,0.30883,0,0,0,2,kgd,unnamed,kgd,unnamed,2,3,P 2ac 2ab,19,Cd,Yes,Cd,PACMAN-DDEC6,14.40749,0.718508566,0.015180056,0.796306489,0.034431349,0.840998474,0.040762537,0.001224899,0.356556501,272,SI,10.1039/C7CE00156H,2017,2017,RSC,All Solvent Removed,FALSE,378.3,0.83887124,0.499411765,none,
195,2017[Zn][nan]3[ASR]3,c7ce00236j2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)NC1=[N]=C(N=C([N]1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c7ce00236j2_2_ASR_pacman,unknown,12.49257,9.0047,12.44307,0.622394,1559.11,2086.46,3352.32,0,0,0,5734.41,0.7674,1.23298,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,12.28378281,0.832068022,0.019625759,0.933720145,0.041074835,0.992076805,0.050885446,0.001600088,0.359257585,228,SI,10.1039/C7CE00236J,2017,2017,RSC,All Solvent Removed,FALSE,317.9,0.5840636,0.77,unknown,
196,2017[Ce][pts]3[ASR]1,c7ce00291b2_ASR_pacman,-,"[Ce].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.pts,sur.cat0;c7ce00291b2_ASR_pacman",unknown,6.50772,5.08568,6.50772,1.09349,571.238,2331.95,2132.58,0,0,0,1598.13,0.6524,0.596622,0,0,0,3,pts,unnamed,sur,unnamed,1,3,-C 2yc,15,Ce,Yes,Ce,PACMAN-DDEC6,16.131036,0.670600091,0.014706907,0.751074875,0.03104429,0.785107745,0.034145866,0.001145077,0.334817453,100,SI,10.1039/C7CE00291B,2017,2017,RSC,All Solvent Removed,FALSE,442.8,0.1652304,0.7305,none,
197,2017[Er][bey]2[ASR]1,c7ce00306d2_2_ASR_pacman,-,O[Er].[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c7ce00306d2_2_ASR_pacman,[C6Er2H2O14_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7ce00306d2_2_ASR_pacman,9.75883,8.23795,9.75101,0.888995,378.325,1744.19,1961.98,0,0,0,1457.61,0.672,0.75591,0,0,0,2,bey,unnamed,bey,unnamed,1,3,-P 1,2,Er,Yes,Er,PACMAN-DDEC6,12.90255156,0.743108274,0.025200249,0.827316062,0.045729294,0.873881509,0.058482415,0.001307732,0.357062291,90,SI,10.1039/C7CE00306D,2017,2017,RSC,All Solvent Removed,FALSE,442.5,0.0784193,0.68,unknown,
198,2017[CuAsMo][nan]2[ASR]1,c7ce00319f2_1_ASR_pacman,-,[Cu].[Mo].[O].[O][As]([O])[O].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat0;c7ce00319f2_1_ASR_pacman,[Cu1_Type-1].[Mo6_Type-1].[OH0].[OH0][As][Branch1][C][OH0][OH0].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;c7ce00319f2_1_ASR_pacman,5.0989,3.72099,5.07795,1.87096,151.604,1396.4,746.352,0,0,0,590.826,0.5442,0.290866,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,"Cu,As,Mo",Yes,"Cu,As,Mo",PACMAN-DDEC6,24.9668449,0.525124857,0.010635968,0.564562975,0.016216815,0.593479317,0.020515674,0.000683545,0.321815108,49,SI,10.1039/C7CE00319F,2017,2017,RSC,All Solvent Removed,FALSE,280.8,0.66253877,0.389574468,none,
199,2017[Co][tfz]3[ASR]1,c7ce00369b2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.tfz-d.cat0;c7ce00369b2_ASR_pacman,[C8Co3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.tfz-d.cat0;c7ce00369b2_ASR_pacman,10.30033,8.55202,10.29157,0.688299,2006.85,1908.66,2773.01,0,0,0,7530.47,0.7162,1.04054,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-C 2bc 2,64,Co,No,N/A,PACMAN-DDEC6,11.00566369,0.872467721,0.031596742,0.989319417,0.0448818,1.047044829,0.060884663,0.001745771,0.358590775,396,SI,10.1039/C7CE00369B,2017,2017,RSC,All Solvent Removed,TRUE,338.8,0.8817833,0.55,weak,
200,2017[Zn][sod]3[ASR]1,c7ce00410a2_ASR_pacman,-,unknown,[C4O8Zn1_Type-1].[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][#C][C][C][C][Ring1][=Branch1][Branch2][Ring1][C][C][C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sod.cat0;c7ce00410a2_ASR_pacman,14.89793,5.59896,14.89793,0.684243,2229.55,1638.57,2394.73,22.8149,16.7674,24.5051,9198.1,0.676,0.987953,0,0,0,3,sod,unnamed,sod,unnamed,1,3,I 4,79,Zn,No,N/A,PACMAN-DDEC6,7.4754784,1.074559131,0.075935545,1.155724381,0.129134178,1.236643151,0.12435801,0.00162084,0.588348153,750,SI,10.1039/C7CE00410A,2017,2017,RSC,All Solvent Removed,TRUE,312.6,0.37282285,0.86,weak,
201,2017[Yb][mog]3[ASR]1,c7ce00481h2_4_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[Yb] MOFid-v1.hxl.cat0;c7ce00481h2_4_ASR_pacman,[C6O12Yb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;c7ce00481h2_4_ASR_pacman,4.44624,2.68084,4.43788,1.52115,0,0,0,55.4569,513.872,337.818,545.211,0.5052,0.332117,0,0,0,3,mog,unnamed,moc,unnamed,2,3,-P 1,2,Yb,Yes,Yb,PACMAN-DDEC6,14.53866059,0.67192302,0.019013798,0.76746488,0.032735015,0.799427004,0.043302088,0.00127504,0.300007695,68,SI,10.1039/C7CE00481H,2017,2017,RSC,All Solvent Removed,FALSE,537.4,0.7563734,0.5,superstrong_high_loading,
202,2017[Rh][sql]2[ASR]1,c7ce00492c2_3_ASR_pacman,-,"N#C[C](c1ccc(cc1)[C](C#N)C#N)C#N.[Rh][Rh] MOFid-v1.sql,hcb.cat0;c7ce00492c2_3_ASR_pacman",unknown,5.28665,3.62054,5.28665,1.13119,291.489,1824.79,1613.16,0,0,0,999.327,0.6256,0.553048,0,0,0,2,sql,unnamed,hcb,unnamed,1,3,-P 1,2,Rh,No,N/A,PACMAN-DDEC6,13.602014,0.795286508,0.024403336,0.87526132,0.044507089,0.937522514,0.044628593,0.00142236,0.371530761,80,SI,10.1039/C7CE00492C,2017,2017,RSC,All Solvent Removed,FALSE,230.9,0.9307412,0.4615,unknown,
203,2017[Cd][dia]3[ASR]2,c7ce00498b2_1_ASR_pacman,-,CC(N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C(C(=O)[O-])C)C(=O)[O-].[Cd].n1ccc(cc1)c1ccncc1 MOFid-v1.dia.cat1;c7ce00498b2_1_ASR_pacman,[C2Cd1O4_Type-1].[C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.dia.cat1;c7ce00498b2_1_ASR_pacman,6.1592,5.62314,6.1592,1.2809,782.214,1114.2,869.859,0,0,0,3382.44,0.4818,0.376143,0,0,0,3,dia,unnamed,dia,unnamed,2,3,P 4abw 2nw,92,Cd,Yes,Cd,PACMAN-DDEC6,10.74464762,0.87918871,0.024220649,0.993096781,0.035946046,1.068324394,0.040869547,0.001891357,0.3182284,504,SI,10.1039/C7CE00498B,2017,2017,RSC,All Solvent Removed,FALSE,313.5,0.57647043,0.482892157,strong,
204,2017[Cd][sql]2[ASR]5,c7ce00498b2_9_ASR_pacman,-,CC(N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C(C(=O)[O-])C)C(=O)[O-].O=C1N(c2ccncc2)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)c1ccncc1.[Cd] MOFid-v1.sql.cat1;c7ce00498b2_9_ASR_pacman,[C4Cd2O8_Type-1].[C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1].[O][=C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Ring1][=N][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c7ce00498b2_9_ASR_pacman,5.4861,4.07609,5.34736,1.28843,487.01,1003.79,779.085,0,0,0,2349.19,0.4842,0.375807,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 2yb,4,Cd,No,N/A,PACMAN-DDEC6,10.81730299,0.888327521,0.022525453,1.011445142,0.033162843,1.084703849,0.038945244,0.001963763,0.307508355,348,SI,10.1039/C7CE00498B,2017,2017,RSC,All Solvent Removed,TRUE,338.2,0.5083052,0.88,strong,
205,2017[Zn][unc]3[ASR]1,c7ce00522a2_2_ASR_pacman,-,CC(C(=O)[O-])NCc1ccncc1.[Zn] MOFid-v1.unknown.cat0;c7ce00522a2_2_ASR_pacman,[Zn1_Type-1].[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c7ce00522a2_2_ASR_pacman,5.73481,5.39718,5.73481,0.993165,290.891,1778.3,1790.54,0,0,0,998.806,0.6106,0.614802,0,0,0,3,unc,unnamed,unc,unnamed,1,3,P 4cw,78,Zn,Yes,Zn,PACMAN-DDEC6,9.7830336,0.924312003,0.047756084,0.993364099,0.088496805,1.040460431,0.090389689,0.001161484,0.579526014,100,SI,10.1039/C7CE00522A,2017,2017,RSC,All Solvent Removed,FALSE,244.4,0.8671497,0.77,weak,
206,2017[Tb][nan]3[ASR]3,c7ce00589j2_3_ASR_pacman,-,[O-]C(=O)c1cc(O)c(cc1O)C(=O)[O-].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Tb] MOFid-v1.unknown.cat0;c7ce00589j2_3_ASR_pacman,[Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7ce00589j2_3_ASR_pacman,5.91874,5.47496,5.91205,1.78672,170.846,1298.1,726.53,0,0,0,707.282,0.5374,0.300775,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Tb,No,N/A,PACMAN-DDEC6,19.66839833,0.57294331,0.012991939,0.6360669,0.018961044,0.669027771,0.026674857,0.000960845,0.289717048,72,SI,10.1039/C7CE00589J,2017,2017,RSC,All Solvent Removed,FALSE,316.7,0.8578632,0.569388889,none,
207,2017[Cu][nan]3[ASR]7,c7ce00661f2_ASR_pacman,-,unknown,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=N][N][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=O] MOFid-v2.UNKNOWN.cat0;c7ce00661f2_ASR_pacman,15.48597,6.62234,15.4779,0.747785,6243.58,2188.27,2926.33,0,0,0,21119.4,0.7402,0.989857,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 4 2n,128,Cu,Yes,Cu,PACMAN-DDEC6,13.61088034,0.80568751,0.012917756,0.876530734,0.030037353,0.946302085,0.039243745,0.001406146,0.38402243,944,SI,10.1039/C7CE00661F,2017,2017,RSC,All Solvent Removed,FALSE,289,0.935468,0.73,weak,
208,2017[Zn][nan]3[ASR]4,c7ce00912g2_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(c(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c7ce00912g2_ASR_pacman,[C5O10Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7ce00912g2_ASR_pacman,5.9825,4.52202,5.95371,0.974976,947.98,2415.41,2477.4,0,0,0,2466.3,0.6284,0.644529,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,13.09253545,0.794962104,0.018756796,0.900369471,0.026274178,0.965793956,0.039967621,0.001708319,0.28913036,176,SI,10.1039/C7CE00912G,2017,2017,RSC,All Solvent Removed,FALSE,337.2,0.81092966,0.94,weak,
209,2017[Ni][sql]2[ASR]1,c7ce00956a2_1_ASR_pacman,-,O=C1N(c2ccncc2)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)c1ccncc1.[Ni].[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-] MOFid-v1.sql.cat0;c7ce00956a2_1_ASR_pacman,unknown,5.95504,5.06167,5.95504,1.06415,339.489,1678.27,1577.1,0,0,0,1111.76,0.5496,0.516467,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ni,No,N/A,PACMAN-DDEC6,10.80269333,0.89364806,0.027660247,1.028894481,0.041309101,1.08354452,0.054791303,0.001898965,0.337391408,120,SI,10.1039/C7CE00956A,2017,2017,RSC,All Solvent Removed,TRUE,295.4,0.3377759,0.85,weak,
210,2017[Ni][sql]2[ASR]2,c7ce00956a2_3_ASR_pacman,-,O=C1N(c2ccncc2)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)c1ccncc1.[Ni].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c7ce00956a2_3_ASR_pacman,unknown,4.90255,3.60054,4.84723,1.17221,202.978,1149.71,980.81,0,0,0,926.162,0.5246,0.447531,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ni,No,N/A,PACMAN-DDEC6,10.93214491,0.888068147,0.026967126,1.023099001,0.041409359,1.073962708,0.054101409,0.001858946,0.344412328,114,SI,10.1039/C7CE00956A,2017,2017,RSC,All Solvent Removed,FALSE,288.4,0.11869812,0.92,weak,
211,2017[Zn][nan]3[ASR]5,c7ce01133d2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C[NH](Cc1ccc(cc1)C(=O)[O-])CCCN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c7ce01133d2_1_ASR_pacman,unknown,9.30214,8.99325,9.30214,0.820062,860.212,1578.01,1924.26,0,0,0,3395.04,0.6228,0.759455,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw,80,Zn,Yes,Zn,PACMAN-DDEC6,8.74037974,1.005783651,0.03947336,1.150963253,0.055439897,1.223905938,0.058520553,0.002181223,0.363456275,308,SI,10.1039/C7CE01133D,2017,2017,RSC,All Solvent Removed,FALSE,397.9,0.4301612,0.07,strong,
212,2018[Cu][sql]2[ASR]1,c7ce01138e2_3_ASR_pacman,-,[Cu][Cu].n1ccc(cc1)C1=C2C=CC3=[N]2[Cu]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccncc2)cc1)c1ccncc1)c1ccncc1 MOFid-v1.sql.cat1;c7ce01138e2_3_ASR_pacman,unknown,6.09567,3.24003,6.09567,1.10967,0,0,0,1383.73,1003.44,904.261,7236.95,0.5248,0.472931,0,0,0,2,sql,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,9.720585654,0.897343385,0.041641734,1.023946488,0.060998587,1.087533782,0.079288917,0.001901904,0.337274832,948,SI,10.1039/C7CE01138E,2018,2018/3/20,RSC,All Solvent Removed,TRUE,403.6,0.6713785,0.788884985,weak,
213,2017[Mn][hxl]2[ASR]1,c7ce01216k2_1_ASR_pacman,-,[Mn].[Mn]Br.[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;c7ce01216k2_1_ASR_pacman,[Br2C6Mn3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;c7ce01216k2_1_ASR_pacman,5.61168,3.75163,5.59503,1.20785,377.916,1682.38,1392.87,0,0,0,1301.97,0.5796,0.47986,0,0,0,2,hxl,unnamed,hxl,unnamed,1,3,-P 2ybc,14,Mn,No,N/A,PACMAN-DDEC6,15.41447198,0.719067779,0.015516817,0.794819686,0.033238818,0.833260218,0.04048504,0.001141924,0.382709026,106,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,384.6,0.66825616,0.38,strong,
214,2017[Mn][hxl]2[ASR]2,c7ce01216k2_2_ASR_pacman,-,[Mn].[Mn]Br.[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;c7ce01216k2_2_ASR_pacman,[Br2C6Mn3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;c7ce01216k2_2_ASR_pacman,5.53656,4.25232,5.53208,1.1993,365.993,1617.76,1348.92,0,0,0,1350.62,0.597,0.497791,0,0,0,2,hxl,unnamed,hxl,unnamed,1,3,-P 2ybc,14,Mn,No,N/A,PACMAN-DDEC6,15.41447198,0.71784839,0.016313951,0.788457549,0.034632758,0.833207328,0.042687456,0.001153589,0.376081474,106,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,411.2,0.30584016,0.38,strong,
215,2017[Mn][hxl]2[ASR]3,c7ce01216k2_4_ASR_pacman,-,Cl[Mn].[Mn].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;c7ce01216k2_4_ASR_pacman,[C6Cl2Mn3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;c7ce01216k2_4_ASR_pacman,5.63922,4.18387,5.63922,1.08784,352.87,1587.56,1459.36,0,0,0,1326.07,0.5966,0.548424,0,0,0,2,hxl,unnamed,hxl,unnamed,1,3,-P 2ybc,14,Mn,Yes,Mn,PACMAN-DDEC6,13.73707575,0.807202537,0.017529964,0.890308614,0.039370371,0.93684879,0.047988145,0.001296463,0.424358096,106,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,418.8,0.28584623,0.43,strong,
216,2017[Mn][sql]2[ASR]1,c7ce01216k2_5_ASR_pacman,-,[Mn][OH2][Mn].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c7ce01216k2_5_ASR_pacman,[C6H2Mn2O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7ce01216k2_5_ASR_pacman,6.59676,5.16721,6.59676,1.02117,461.112,1670.92,1636.28,0,0,0,1560.84,0.5656,0.553875,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2y,12,Mn,Yes,Mn,PACMAN-DDEC6,10.22318229,0.92814665,0.032292546,1.032488825,0.064404869,1.085430826,0.075820114,0.001572842,0.464860817,166,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,375.4,0.62713265,0.686821429,superstrong_high_loading,
217,2017[Mn][hxl]2[ASR]4,c7ce01216k2_6_ASR_pacman,-,Cl[Mn].[Mn].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;c7ce01216k2_6_ASR_pacman,[C6Cl2Mn3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;c7ce01216k2_6_ASR_pacman,5.53754,3.57096,5.5212,1.10132,354.725,1615.68,1467.03,0,0,0,1308.97,0.5962,0.541349,0,0,0,2,hxl,unnamed,hxl,unnamed,1,3,-P 2ybc,14,Mn,No,N/A,PACMAN-DDEC6,13.73707575,0.809944616,0.017693053,0.894736414,0.0390374,0.938405665,0.045910846,0.00128461,0.431415224,106,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,383.6,0.71271265,0.43,strong,
218,2017[Mn][sql]2[ASR]2,c7ce01216k2_8_ASR_pacman,-,[Mn]O[Mn].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c7ce01216k2_8_ASR_pacman,[C6Mn2O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7ce01216k2_8_ASR_pacman,6.72323,5.2222,6.72323,1.00193,497.59,1773.34,1769.93,0,0,0,1538.78,0.5484,0.547345,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2y,12,Mn,Yes,Mn,PACMAN-DDEC6,10.45071914,0.927073092,0.030623365,1.027440155,0.06136956,1.084448641,0.071417837,0.001573755,0.462172873,162,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,381.7,0.9003182,0.68425,superstrong_high_loading,
219,2017[Mn][sql]2[ASR]3,c7ce01216k2_9_ASR_pacman,-,[Mn]O[Mn].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c7ce01216k2_9_ASR_pacman,[C6Mn2O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7ce01216k2_9_ASR_pacman,6.63577,5.16378,6.63577,1.02111,466.681,1695.03,1659.99,0,0,0,1497.21,0.5438,0.532559,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2y,12,Mn,Yes,Mn,PACMAN-DDEC6,10.45071914,0.922706349,0.031258627,1.025964696,0.062404472,1.082056925,0.070794059,0.001593506,0.45251564,162,SI,10.1039/C7CE01216K,2017,2017,RSC,All Solvent Removed,FALSE,396.8,0.8964206,0.67425,superstrong_high_loading,
220,2018[Cd][nan]3[ASR]5,c7ce01453h2_4_ASR_pacman,-,[Cd].[O]S(c1cccc2c1cccc2S([O])([O])[O])([O])[O].c1ccc2c(c1)c(Cn1cncc1)c1c(c2Cn2cncc2)cccc1 MOFid-v1.unknown.cat0;c7ce01453h2_4_ASR_pacman,[Cd1_Type-1].[OH0][S][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][OH0][Branch1][C][OH0][OH0][Branch1][C][OH0][OH0].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][=C][C][=Branch1][N][=C][Ring1][=N][C][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=N] MOFid-v2.UNKNOWN.cat0;c7ce01453h2_4_ASR_pacman,5.82411,3.99559,5.60333,1.33995,204.1,1117.17,833.742,0,0,0,849.889,0.4652,0.347177,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,10.68256754,0.850384653,0.03024168,0.959309428,0.045987783,1.026833135,0.059394095,0.001764485,0.327939384,138,SI,10.1039/C7CE01453H,2018,2018/11/10,RSC,All Solvent Removed,FALSE,370.4,0.8239861,0.653888889,none,
221,2018[Co][fsc]3[ASR]1,c7ce01510k2_5_ASR_pacman,-,[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat0;c7ce01510k2_5_ASR_pacman,[C4Co2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;c7ce01510k2_5_ASR_pacman,4.62849,4.01864,4.62726,1.23641,134.268,1062.8,859.587,0,0,0,607.917,0.4812,0.389191,0,0,0,3,fsc,unnamed,sqc27,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,10.00686798,0.906516024,0.034752016,1.02733543,0.055110222,1.091170136,0.070051369,0.001846541,0.362051135,94,SI,10.1039/C7CE01510K,2018,2018/10/13,RSC,All Solvent Removed,TRUE,399.8,0.516711,0.949545455,none,
222,2017[PrCu][nan]3[ASR]1,c7ce01580a2_ASR_pacman,-,unknown,[Cu5I4_Type-1].[Pr2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c7ce01580a2_ASR_pacman,5.73567,4.77717,5.71225,2.15211,247.261,408.355,189.746,0,0,0,2534.64,0.4186,0.194507,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab,19,"Pr,Cu",Yes,Cu,PACMAN-DDEC6,19.23405294,0.559566781,0.014674094,0.598794215,0.029900357,0.632646523,0.035941536,0.000730797,0.341223408,408,SI,10.1039/C7CE01580A,2017,2017,RSC,All Solvent Removed,FALSE,299.6,0.346968,0.83,none,
223,2018[Cd][nan]3[ASR]6,c7ce01638g2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c7ce01638g2_ASR_pacman,[C3Cd1O6_Type-1].[C8Cd3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7ce01638g2_ASR_pacman,7.67731,6.18207,7.60654,0.933546,1598.75,2069.73,2217.06,0,0,0,5044.04,0.653,0.699484,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,13.15936364,0.764736193,0.018013613,0.86832934,0.030432268,0.9199484,0.043145255,0.001552122,0.307761921,330,SI,10.1039/C7CE01638G,2018,2018/10/31,RSC,All Solvent Removed,TRUE,459.4,0.9622166,0.699411765,strong,
224,2018[Zn][pcu]3[ASR]2,c7ce01649b2_ASR_pacman,-,unknown,[C6O13Zn4_Type-1].[O][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;c7ce01649b2_ASR_pacman,9.47679,8.12374,9.47596,0.79115,1228.6,1971.37,2491.78,0,0,0,4181.82,0.671,0.848133,0,0,0,3,pcu,unnamed,pcu,unnamed,5,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.83641226,0.868238426,0.027542575,0.974569491,0.053831657,1.028818394,0.066532548,0.0016058,0.395178882,274,SI,10.1039/C7CE01649B,2018,2018/10/30,RSC,All Solvent Removed,FALSE,376.5,0.46920407,0.49,strong,
225,2018[Cu][sql]2[ASR]2,c7ce01840a2_2_ASR_pacman,-,[Cu].[O-]C(=O)c1cc(nc(c1)c1ccncc1)c1ccncc1 MOFid-v1.sql.cat1;c7ce01840a2_2_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c7ce01840a2_2_ASR_pacman,3.88407,2.62017,3.88407,1.32478,0,0,0,34.3133,111.084,83.8504,1323.93,0.4286,0.323524,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,9.779126984,0.932684699,0.03251449,1.040632405,0.069094475,1.105993998,0.082003252,0.001733093,0.41985449,252,SI,10.1039/C7CE01840A,2018,2018/11/10,RSC,All Solvent Removed,FALSE,276.8,0.7392289,0.745333333,strong,
226,2018[Cu][sit]3[ASR]1,c7ce01840a2_3_ASR_pacman,-,"[Cu]O[Cu]Br.[O-]C(=O)c1cc(nc(c1)c1ccncc1)c1ccncc1 MOFid-v1.sit,ERROR.cat1;c7ce01840a2_3_ASR_pacman",unknown,6.57016,6.08023,6.53615,1.34639,177.573,928.244,689.431,0,0,0,936.605,0.4896,0.363639,0,0,0,3,sit,unnamed,sit,unnamed,2,2,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,11.75052121,0.808211143,0.023661073,0.909891043,0.058118337,0.950237222,0.064454149,0.001420261,0.392355194,132,SI,10.1039/C7CE01840A,2018,2018/11/10,RSC,All Solvent Removed,TRUE,339.2,0.85704106,0.8055,strong,
227,2019[Cd][nan]3[ASR]3,c7ce01920c2_3_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(c(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c7ce01920c2_3_ASR_pacman,[C5Cd2O10_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7ce01920c2_3_ASR_pacman,6.66442,4.36546,6.66442,1.04515,995.504,2337.5,2236.51,0,0,0,2824.47,0.6632,0.634547,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,15.23030818,0.696474209,0.012626876,0.774137129,0.029301794,0.827930373,0.03613679,0.001314562,0.306083996,176,SI,10.1039/C7CE01920C,2019,2019/1/4,RSC,All Solvent Removed,FALSE,374.5,0.724203,0.729411765,strong,
228,2019[Cd][hcb]2[ASR]1,c7ce01988b2_11_ASR_pacman,-,[Cd].[O-]C(=O)CC(=O)[O-] MOFid-v1.cpr.cat1;c7ce01988b2_11_ASR_pacman,unknown,5.28781,3.77959,5.27614,1.37375,190.599,1171.19,852.549,0,0,0,890.188,0.547,0.398181,0,0,0,2,hcb,unnamed,cpr,unnamed,2,2,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,13.4632488,0.74757915,0.021605822,0.835776107,0.047607551,0.88019326,0.056536622,0.001326141,0.357033458,100,SI,10.1039/C7CE01988B,2019,2019/1/4,RSC,All Solvent Removed,FALSE,176.3,0.7264989,0.400058824,strong,
229,2019[Zn][hcb]2[ASR]1,c7ce01988b2_9_ASR_pacman,-,[O-]C(=O)CC(=O)[O-].[Zn] MOFid-v1.cpr.cat1;c7ce01988b2_9_ASR_pacman,unknown,4.60833,3.89453,4.60399,1.1772,235.175,1439.44,1222.76,0,0,0,914.601,0.5598,0.475534,0,0,0,2,hcb,unnamed,cpr,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.5820088,0.87024312,0.028322361,0.975700377,0.056071916,1.020147492,0.068190837,0.001499044,0.430698363,100,SI,10.1039/C7CE01988B,2019,2019/1/4,RSC,All Solvent Removed,FALSE,208.8,0.81889355,0.371333333,strong,
230,2018[Ni][sql]2[ASR]1,c7ce02009k2_7_ASR_pacman,-,[Ni].[O-]C(=O)c1cc(ccc1C(=O)O)c1ccc(nc1)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;c7ce02009k2_7_ASR_pacman,[Ni1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c7ce02009k2_7_ASR_pacman,5.99567,4.91511,5.994,1.11829,335.3,1128.83,1009.43,0,0,0,1576.06,0.5306,0.474475,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2ybc,14,Ni,Yes,Ni,PACMAN-DDEC6,10.20583265,0.918301885,0.030156,1.03509824,0.066069131,1.085411621,0.077189982,0.001671097,0.428053173,196,SI,10.1039/C7CE02009K,2018,2018/12/29,RSC,All Solvent Removed,FALSE,321,0.9163768,0.855746843,strong,
231,2017[Cu][nan]3[ASR]8,c7cy00882a2_ASR_pacman,-,O[Cu]O.[Cu].[Cu][Cu].[O-]C(=O)c1cncc(c1)C(=O)[O-] MOFid-v1.unknown.cat0;c7cy00882a2_ASR_pacman,[C2Cu1O4_Type-1].[C4Cu2O8_Type-1].[Cu1H2O2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7cy00882a2_ASR_pacman,9.66995,5.60506,9.57348,0.979009,904.843,2149.69,2195.78,0,0,0,2858.88,0.6792,0.693763,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yb,11,Cu,Yes,Cu,PACMAN-DDEC6,14.59771506,0.773972081,0.012056155,0.84474881,0.031258882,0.903382717,0.033743189,0.001294106,0.387763978,170,SI,10.1039/C7CY00882A,2017,2017,RSC,All Solvent Removed,FALSE,272.1,0.89553833,0.61,weak,
232,2018[Zn][pcu]3[ASR]3,c7cy02265d2_ASR_pacman,-,C1CN2CCN1CC2.[O-]C(=O)c1ccc(s1)C(=O)[O-].[Zn][Zn] MOFid-v1.pcu.cat0;c7cy02265d2_ASR_pacman,[C4O8Zn2_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;c7cy02265d2_ASR_pacman,7.81562,5.42195,7.80607,0.965805,1625.31,2025.99,2097.72,0,0,0,5196.86,0.6478,0.670736,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,P -4 2n,114,Zn,Yes,Zn,PACMAN-DDEC6,12.15038,0.824876595,0.031063184,0.897501207,0.051556506,0.952802045,0.055167233,0.001279255,0.443987539,384,SI,10.1039/C7CY02265D,2018,2018/11/23,RSC,All Solvent Removed,FALSE,307,0.94192034,0.261821862,weak,
233,2017[Cd][pts]3[ASR]1,c7dt00005g2_2_ASR_pacman,-,"[Cd].[O-]C(=O)c1cc(NC2=NN=N[N]2)cc(c1)C(=O)[O-] MOFid-v1.pts,tfi.cat0;c7dt00005g2_2_ASR_pacman","[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][=N][N][=N][NH0][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][N][C][=Branch1][C][=O][O-1] MOFid-v2.pts,tfi.cat0;c7dt00005g2_2_ASR_pacman",6.66243,5.97827,6.66243,1.09891,818.063,1887.27,1717.39,0,0,0,2874.74,0.6632,0.603506,0,0,0,3,pts,unnamed,tfi,unnamed,1,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,15.59000696,0.70064634,0.013072356,0.774323356,0.024687081,0.822362254,0.031770277,0.001217159,0.339771622,184,SI,10.1039/C7DT00005G,2017,2017,RSC,All Solvent Removed,TRUE,355.3,0.67033947,0.47,weak,
234,2017[Cu][fjh]3[ASR]1,c7dt00192d2_ASR_pacman,-,[Cu][Cu].[Cu][O]1([Cu])[Cu][O]([Cu]1)([Cu])[Cu].[O-]C(=O)c1ccc(cc1)c1cncc(c1)c1ccc(cc1)C(=O)[O-] MOFid-v1.fjh.cat0;c7dt00192d2_ASR_pacman,unknown,11.55212,8.55341,11.53604,0.606791,6087.02,2212.77,3646.68,0,0,0,21973.8,0.7988,1.31643,0,0,0,3,fjh,unnamed,fjh,unnamed,1,3,-P 4c 2ab,135,Cu,Yes,Cu,PACMAN-DDEC6,13.80777011,0.775446691,0.021001998,0.84074887,0.036217542,0.896436678,0.046217316,0.0012099,0.414079123,728,SI,10.1039/C7DT00192D,2017,2017,RSC,All Solvent Removed,FALSE,340.9,0.8486905,0.458,none,
235,2017[Nd][nan]3[ASR]1,c7dt00215g2_10_ASR_pacman,-,[Nd].[O-]C(=O)c1c(F)c(F)c(c(c1F)F)C(=O)[O-] MOFid-v1.tsy.cat0;c7dt00215g2_10_ASR_pacman,[Nd2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=Branch1][C][=O][O-1] MOFid-v2.tsy.cat0;c7dt00215g2_10_ASR_pacman,4.57962,3.51168,4.57962,1.96606,101.001,599.895,305.126,0,0,0,727.672,0.4322,0.219831,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Nd,Yes,Nd,PACMAN-DDEC6,19.93428877,0.642128055,0.009150475,0.706798467,0.010124282,0.768367773,0.008903024,0.001262397,0.263925753,100,SI,10.1039/C7DT00215G,2017,2017,RSC,All Solvent Removed,FALSE,356.1,0.92317736,0.66962963,none,
236,2017[Pr][nan]3[ASR]1,c7dt00215g2_7_ASR_pacman,-,[O-]C(=O)c1c(F)c(F)c(c(c1F)F)C(=O)[O-].[Pr] MOFid-v1.tsy.cat0;c7dt00215g2_7_ASR_pacman,[Pr2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=Branch1][C][=O][O-1] MOFid-v2.tsy.cat0;c7dt00215g2_7_ASR_pacman,4.62788,3.52991,4.62788,1.93637,103.492,609.484,314.756,0,0,0,729.473,0.4296,0.221858,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Pr,Yes,Pr,PACMAN-DDEC6,19.80091477,0.64992138,0.007277194,0.710150419,0.007984066,0.774897452,0.00703761,0.001249761,0.274240164,100,SI,10.1039/C7DT00215G,2017,2017,RSC,All Solvent Removed,FALSE,353.8,0.9288523,0.64962963,none,
237,2017[Cd][kgd]2[ASR]2,c7dt00292k2_1_ASR_pacman,-,"[Cd].[O-]C(=O)C1=CC=CN([CH]1)Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ERROR,unknown.cat0;c7dt00292k2_1_ASR_pacman","[C6Cd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][Ring2][CH1][Ring1][=Branch1][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR,UNKNOWN.cat0;c7dt00292k2_1_ASR_pacman",4.21366,3.19293,4.10203,1.75271,0,0,0,12.5723,161.182,91.9617,303.421,0.389,0.221942,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,12.86393938,0.778632226,0.018532465,0.875742613,0.031259535,0.937654831,0.040025983,0.001590226,0.307430771,64,SI,10.1039/C7DT00292K,2017,2017,RSC,All Solvent Removed,FALSE,352.4,0.89893234,0.24,strong,
238,2017[Zn][dia]3[ASR]6,c7dt00614d2_1_ASR_pacman,-,N1=C[N]N([CH]1)c1ccc(cc1)N(c1ccc(cc1)N1[N]C=N[CH]1)c1ccc(cc1)N1[N]C=N[CH]1.[O-]C(=O)c1ccc(cc1)c1cccc(c1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.dia.cat0;c7dt00614d2_1_ASR_pacman,[C2O4Zn1_Type-1].[N][=C][NH0][N][Branch1][Ring2][CH1][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][NH0][C][=N][CH1][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][NH0][C][=N][CH1][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;c7dt00614d2_1_ASR_pacman,4.84074,2.72589,4.80971,1.30022,0,0,0,149.509,353.385,271.789,1740.54,0.4114,0.316409,0,0,0,3,dia,unnamed,dia,unnamed,5,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,9.305096629,0.945753966,0.037865098,1.059958239,0.07845214,1.120864209,0.091601515,0.001751102,0.429306287,356,SI,10.1039/C7DT00614D,2017,2017,RSC,All Solvent Removed,FALSE,289.9,0.78135693,0.806666667,weak,
239,2017[Zn][dia]3[ASR]7,c7dt00614d2_2_ASR_pacman,-,N1=C[N]N([CH]1)c1ccc(cc1)N(c1ccc(cc1)N1[N]C=N[CH]1)c1ccc(cc1)N1[N]C=N[CH]1.[O-]C(=O)c1ccc(cc1)c1cccc(c1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.dia.cat0;c7dt00614d2_2_ASR_pacman,[C2O4Zn1_Type-1].[N][=C][NH0][N][Branch1][Ring2][CH1][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][NH0][C][=N][CH1][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][NH0][C][=N][CH1][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;c7dt00614d2_2_ASR_pacman,4.84708,2.74228,4.48751,1.29059,0,0,0,152.9,358.725,277.954,1775.68,0.4166,0.322798,0,0,0,3,dia,unnamed,dia,unnamed,5,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,9.305096629,0.949471107,0.038284745,1.065816567,0.078255668,1.125185425,0.092502266,0.001757143,0.431824254,356,SI,10.1039/C7DT00614D,2017,2017,RSC,All Solvent Removed,FALSE,287.2,0.79182446,0.806666667,weak,
240,2017[Mn][kgm]2[ASR]1,c7dt01045a2_1_ASR_pacman,-,unknown,unknown,7.38092,6.02143,7.38092,1.46462,104.187,717.427,489.838,12.6312,86.9779,59.3859,694.457,0.4782,0.3265,0,0,0,2,kgm,unnamed,unnamed,unnamed,1,3,"-P 3 2""",164,Mn,No,N/A,PACMAN-DDEC6,15.24861179,0.765470968,0.012654176,0.846088987,0.033184384,0.886062204,0.034974202,0.001205912,0.410471401,84,SI,10.1039/C7DT01045A,2017,2017,RSC,All Solvent Removed,FALSE,405.8,0.4969566,0.38,weak,
241,2017[Cu][sql]2[ASR]2,c7dt01074e2_ASR_pacman,-,[Cu][O]1[Cu][O]([Cu]1)[Cu].[O-]C(=O)c1cc(NCc2ccccc2)cc(c1)C(=O)[O-] MOFid-v1.sql.cat1;c7dt01074e2_ASR_pacman,[C6Cu4O14_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;c7dt01074e2_ASR_pacman,8.52958,6.20939,8.35496,1.03066,1959.96,1390.04,1348.68,107.526,76.2597,73.9908,8445.9,0.599,0.581178,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.04989111,0.869063765,0.029757616,0.955952312,0.060448981,1.011726357,0.069328126,0.001426626,0.446261735,792,SI,10.1039/C7DT01074E,2017,2017,RSC,All Solvent Removed,FALSE,270,0.671522,0.39,none,
242,2017[Zn][sql]2[ASR]3,c7dt01147d2_ASR_pacman,-,unknown,unknown,7.02325,4.60671,7.02137,0.727537,1692.2,2655.06,3649.38,0,0,0,4203.96,0.6596,0.906621,0,0,0,2,sql,unnamed,sql,unnamed,4,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,8.618351605,0.9599392,0.058876503,1.077503734,0.097644897,1.138482016,0.095562015,0.001785428,0.433741795,324,SI,10.1039/C7DT01147D,2017,2017,RSC,All Solvent Removed,TRUE,308.8,0.8729853,0.41,unknown,
243,2017[Zn][sql]2[ASR]4,c7dt01195d2_3_ASR_pacman,-,CCCOc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;c7dt01195d2_3_ASR_pacman,unknown,4.6791,3.61937,4.6791,1.23333,94.9687,794.728,644.376,0,0,0,566.183,0.4738,0.384163,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,9.44166,0.950576825,0.044701849,1.054745207,0.082114079,1.098250785,0.089202552,0.00147674,0.517665422,94,SI,10.1039/C7DT01195D,2017,2017,RSC,All Solvent Removed,TRUE,318.9,0.7560863,0.837484772,strong,
244,2017[Mn][pcu]3[ASR]1,c7dt01251a2_1_ASR_pacman,-,[Mn].[O-]C=O MOFid-v1.pcu.cat0;c7dt01251a2_1_ASR_pacman,[Mn1_Type-1].[O-1][C][=O] MOFid-v2.pcu.cat0;c7dt01251a2_1_ASR_pacman,4.37093,2.54585,4.35025,1.35105,0,0,0,38.106,407.968,301.965,489.439,0.524,0.387848,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Mn,No,N/A,PACMAN-DDEC6,14.61464346,1.011120009,0.050427122,0.989558134,0.069435297,1.101085774,0.07488192,0.000899658,0.719041135,52,SI,10.1039/C7DT01251A,2017,2017,RSC,All Solvent Removed,FALSE,274,0.86739135,0.447428571,weak,
245,2017[Cd][nan]3[ASR]4,c7dt01306j2_2_ASR_pacman,-,unknown,[C3Cd2O6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;c7dt01306j2_2_ASR_pacman,7.11177,5.86116,7.09322,0.955031,1293.17,1985.36,2078.84,0,0,0,4085.28,0.6272,0.656733,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab,19,Cd,Yes,Cd,PACMAN-DDEC6,11.28340217,0.793766995,0.030460947,0.882389479,0.0580479,0.93738944,0.072313713,0.001436224,0.368503415,332,SI,10.1039/C7DT01306J,2017,2017,RSC,All Solvent Removed,FALSE,350.9,0.7757227,0.87,weak,
246,2017[Co][nan]3[ASR]3,c7dt01306j2_4_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].c1ncn(c1)c1cc(cc(c1)n1cncc1)n1cncc1 MOFid-v1.unknown.cat0;c7dt01306j2_4_ASR_pacman,[C2Co1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;c7dt01306j2_4_ASR_pacman,5.57112,2.41312,5.55074,1.18055,0,0,0,261.405,845.654,716.319,1519.61,0.4916,0.416414,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.810764554,0.92093252,0.036356722,1.036465652,0.069952381,1.094530169,0.083535257,0.001735976,0.40971768,224,SI,10.1039/C7DT01306J,2017,2017,RSC,All Solvent Removed,TRUE,430.5,0.8108567,0.919545455,strong,
247,2017[Co][qtz]3[ASR]1,c7dt01523b2_5_ASR_pacman,-,unknown,[C4Co2H2O9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=C][N][=C][Ring1][=Branch1][N][CH1][N][=C][NH0][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=N][Ring1][Branch1] MOFid-v2.ERROR.cat0;c7dt01523b2_5_ASR_pacman,4.98997,4.13343,4.96073,1.17603,444.508,1175.76,999.775,0,0,0,1985.57,0.5252,0.446588,0,0,0,3,qtz,unnamed,qtz,unnamed,1,3,P 62,171,Co,No,N/A,PACMAN-DDEC6,11.01833667,0.886466599,0.024255507,0.988089314,0.056119875,1.046868,0.063497536,0.001604014,0.41240307,243,SI,10.1039/C7DT01523B,2017,2017,RSC,All Solvent Removed,TRUE,343.5,0.7431194,0.639666667,weak,
248,2017[Co][nan]3[ASR]4,c7dt01759f2_2_ASR_pacman,-,[Co][OH]1[Co][OH]([Co]1)[Co].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].c1cc(cc(c1)c1[nH]cnc1)c1[nH]cnc1 MOFid-v1.ERROR.cat0;c7dt01759f2_2_ASR_pacman,unknown,5.34521,4.18072,5.34521,1.19937,293.165,783.777,653.491,2.85385,7.62977,6.36149,1813.35,0.4848,0.404213,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,10.39069892,0.895496529,0.029430464,0.996449035,0.061306099,1.053677941,0.07481534,0.001581814,0.428239561,260,SI,10.1039/C7DT01759F,2017,2017,RSC,All Solvent Removed,FALSE,328.5,0.63089585,0.61,superstrong_high_loading,
249,2017[Ce][sql]2[ASR]1,c7dt02040f2_ASR_pacman,-,[Ce].[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-] MOFid-v1.sql.cat0;c7dt02040f2_ASR_pacman,[C6Ce2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7dt02040f2_ASR_pacman,5.47859,5.00035,5.46825,1.13175,525.699,1941.43,1715.41,0,0,0,1630.09,0.602,0.531918,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ce,Yes,Ce,PACMAN-DDEC6,13.56989588,0.722430421,0.020564278,0.796859031,0.03923571,0.852036679,0.05178961,0.001296063,0.336820144,136,SI,10.1039/C7DT02040F,2017,2017,RSC,All Solvent Removed,FALSE,562.6,0.1123372,0.55,none,
250,2017[NiCo][qtz]3[ASR]1,c7dt02064c2_ASR_pacman,-,unknown,unknown,15.0078,14.73657,15.0078,0.723045,1028.78,1525.25,2109.48,0,0,0,4836.16,0.717,0.991639,0,0,0,3,qtz,unnamed,qtz,unnamed,4,3,P 62 2c (0 0 1),180,"Ni,Co",Yes,Ni,PACMAN-DDEC6,11.51737735,0.85272695,0.024938208,0.962496701,0.037842313,1.026971419,0.051221999,0.001742445,0.337542716,255,SI,10.1039/C7DT02064C,2017,2017,RSC,All Solvent Removed,FALSE,286.3,0.8295809,0.67,strong,
251,2017[Cu][nbo]3[ASR]1,c7dt02290e2_2_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1cc(cc(c1)c1cccc2c1cccc2c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,fof.cat0;c7dt02290e2_2_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring2][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,fof.cat0;c7dt02290e2_2_ASR_pacman",11.60438,5.76316,11.60438,0.730864,914.222,2314.67,3167.04,0,0,0,2839.82,0.719,0.983767,0,0,0,3,nbo,unnamed,fof,unnamed,1,3,"-R 3 2""",166,Cu,Yes,Cu,PACMAN-DDEC6,12.0720975,0.813648238,0.02252771,0.883618649,0.042898973,0.952479318,0.056459228,0.001388311,0.397339955,144,SI,10.1039/C7DT02290E,2017,2017,RSC,All Solvent Removed,FALSE,286.7,0.94966984,0.527,weak,
252,2017[Cd][hcb]2[ASR]2,c7dt02697h2_2_ASR_pacman,-,CC(C(=O)Nc1cc(ccc1C(=O)[O-])C(=O)[O-])O.[Cd] MOFid-v1.hcb.cat0;c7dt02697h2_2_ASR_pacman,unknown,11.50272,8.4606,11.50272,0.806632,424.178,1710.29,2120.28,0,0,0,1661.21,0.6698,0.830366,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,P 3,143,Cd,No,N/A,PACMAN-DDEC6,9.63808336,0.946751315,0.037135402,1.063232613,0.044938108,1.152362518,0.038439458,0.002056112,0.334476274,125,SI,10.1039/C7DT02697H,2017,2017,RSC,All Solvent Removed,TRUE,275,0.943455,0.660045455,weak,
253,2017[Zn][dmp]3[ASR]1,c7dt02981k2_4_ASR_pacman,-,unknown,[C2O4Zn1_Type-1].[O][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][C][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][NH1][C][=N][C][=Ring1][Branch1] MOFid-v2.dmp.cat0;c7dt02981k2_4_ASR_pacman,4.72798,2.52331,4.6,1.29595,0,0,0,76.1361,273.142,210.765,1211.97,0.4348,0.335506,0,0,0,3,dmp,unnamed,dmp,unnamed,3,3,-P 2a 2bc,52,Zn,Yes,Zn,PACMAN-DDEC6,9.887920364,0.919333808,0.033651344,1.032280597,0.070545572,1.089152318,0.084613493,0.001698185,0.419224122,220,SI,10.1039/C7DT02981K,2017,2017,RSC,All Solvent Removed,TRUE,335.9,0.90236986,0.167333333,weak,
254,2018[Zn][sql]2[ASR]2,c7dt03341a2_ASR_pacman,-,C[C](c1cccnc1)[N][N][C](c1cccnc1)C.[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat0;c7dt03341a2_ASR_pacman,[C4O8Zn2_Type-1].[C][CH0][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH0][NH0][CH0][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7dt03341a2_ASR_pacman,5.00855,3.32708,4.96749,1.3331,83.9268,689.189,516.984,0,0,0,563.337,0.4626,0.347012,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.62605652,0.896372451,0.032373288,1.002434244,0.065447496,1.044099928,0.075379458,0.001477275,0.46392271,92,SI,10.1039/C7DT03341A,2018,2018/10/9,RSC,All Solvent Removed,TRUE,371.7,0.9492396,0.404527778,none,
255,2017[Cd][nan]3[ASR]5,c7dt03363j2_1_ASR_pacman,-,"[Cd].[O-]C(=O)c1cc2n(cnc2cc1C(=O)[O-])Cc1ccc(cc1)Cn1cnc2c1cc(C(=O)[O-])c(c2)C(=O)[O-] MOFid-v1.sql,unknown.cat0;c7dt03363j2_1_ASR_pacman","[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][N][Branch1][#C][C][=N][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.sql,UNKNOWN.cat0;c7dt03363j2_1_ASR_pacman",5.32034,4.43488,5.30558,1.43174,224.619,1317.05,919.897,0,0,0,875.931,0.5136,0.358725,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,13.61543259,0.725610457,0.014530487,0.829076526,0.024922726,0.883788154,0.031746298,0.001581777,0.259203107,108,SI,10.1039/C7DT03363J,2017,2017,RSC,All Solvent Removed,FALSE,308.6,0.84932625,0.8,superstrong_high_loading,
256,2017[CrMn][qtz]3[ASR]1,c7dt03415f2_1_ASR_pacman,-,[Cr].[Mn].[O-]C(=O)C(=O)[O-] MOFid-v1.ERROR.cat0;c7dt03415f2_1_ASR_pacman,unknown,6.2194,5.33977,6.21712,1.03133,2827.09,2129.74,2065.04,57.6199,43.407,42.0883,8737.15,0.6582,0.638203,0,0,0,3,qtz,unnamed,qtz,unnamed,1,3,P 65 2 (0 0 1),179,"Cr,Mn",No,N/A,PACMAN-DDEC6,17.6165191,0.79716777,0.013716235,0.861599902,0.020871577,0.915563177,0.014372611,0.001183954,0.443726356,468,SI,10.1039/C7DT03415F,2017,2017,RSC,All Solvent Removed,FALSE,376.2,0.67213833,0.38,none,
257,2017[CrMn][qtz]3[ASR]2,c7dt03415f2_2_ASR_pacman,-,[Cr].[Mn].[O-]C(=O)C(=O)[O-] MOFid-v1.ERROR.cat0;c7dt03415f2_2_ASR_pacman,unknown,6.2241,5.33349,6.2241,1.03133,2836.29,2136.68,2071.76,58.0408,43.7241,42.3958,8726.54,0.6574,0.637427,0,0,0,3,qtz,unnamed,qtz,unnamed,1,3,P 65 2 (0 0 1),179,"Cr,Mn",No,N/A,PACMAN-DDEC6,17.6165191,0.780323429,0.016263986,0.855023039,0.021419862,0.903564107,0.014483296,0.001232407,0.414961152,468,SI,10.1039/C7DT03415F,2017,2017,RSC,All Solvent Removed,FALSE,376.9,0.6736468,0.38,none,
258,2018[Eu][umc]3[ASR]1,c7dt03783j2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc2c(c1)c1ccc(cc1c1c2cc(cc1)C(=O)[O-])C(=O)[O-] MOFid-v1.kgd.cat0;c7dt03783j2_2_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;c7dt03783j2_2_ASR_pacman,10.42322,6.14247,10.35015,0.781314,987.414,2280.74,2919.11,0,0,0,3182.95,0.7352,0.940979,0,0,0,3,umc,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,13.76369081,0.701101761,0.016731505,0.782499895,0.038775782,0.830717191,0.046138601,0.001296154,0.317785614,148,SI,10.1039/C7DT03783J,2018,2018/10/18,RSC,All Solvent Removed,FALSE,494.5,0.59831536,0.667692308,none,
259,2018[Eu][umc]3[ASR]2,c7dt03783j2_3_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc2c(c1)c1ccc(cc1c1c2cc(cc1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c7dt03783j2_3_ASR_pacman,[C6Eu2O12_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7dt03783j2_3_ASR_pacman,12.07806,7.91919,12.06396,0.656783,1022.49,1985.33,3022.81,0,0,0,3929.63,0.763,1.16172,0,0,0,3,umc,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,13.76369081,0.69973875,0.017601607,0.780481551,0.036754401,0.833404617,0.045385308,0.001336659,0.303377773,148,SI,10.1039/C7DT03783J,2018,2018/10/18,RSC,All Solvent Removed,FALSE,452,0.52520144,0.667692308,none,
260,2019[Co][hex]3[ASR]1,c7dt04354f2_1_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.hex.cat1;c7dt04354f2_1_ASR_pacman,[C8Co3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hex.cat1;c7dt04354f2_1_ASR_pacman,6.70333,5.01996,6.69634,0.928459,1432.94,1760.64,1896.3,0,0,0,4920.68,0.6046,0.651187,0,0,0,3,hex,unnamed,hex,unnamed,2,3,-P 2a 2bc,52,Co,No,N/A,PACMAN-DDEC6,10.63218005,0.883225669,0.030656758,0.983072582,0.060840962,1.038191794,0.073981716,0.001549661,0.425781912,428,SI,10.1039/C7DT04354F,2019,2019/1/24,RSC,All Solvent Removed,TRUE,420.4,0.77077746,0.542732095,strong,
261,2019[CoMg][hex]3[ASR]1,c7dt04354f2_2_ASR_pacman,-,[Co].[Mg].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.hex.cat1;c7dt04354f2_2_ASR_pacman,[C8Co2Mg1O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hex.cat1;c7dt04354f2_2_ASR_pacman,6.57785,4.83765,6.5715,0.905268,1400.54,1730.52,1911.61,0,0,0,4863.99,0.601,0.663892,0,0,0,3,hex,unnamed,hex,unnamed,2,3,-P 2a 2bc,52,"Co,Mg",No,N/A,PACMAN-DDEC6,10.30855206,0.902682138,0.032464302,1.017932024,0.061706806,1.071911835,0.077475957,0.001692297,0.405204727,428,SI,10.1039/C7DT04354F,2019,2019/1/24,RSC,All Solvent Removed,TRUE,439.1,0.7524102,0.43625,strong,
262,2019[Zn][sqp]3[ASR]1,c7dt04484d2_1_ASR_pacman,-,CC(C1=Nc2c([N]1)cccc2)[O].[O-]C(=O)C1CCC(C1(C)C)(C)C(=O)[O-].[Zn] MOFid-v1.sqp.cat0;c7dt04484d2_1_ASR_pacman,[C3O6Zn2_Type-1].[C][C][Branch1][S][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1][OH0].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch2][C][Ring1][Branch1][Branch1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O-1] MOFid-v2.sqp.cat0;c7dt04484d2_1_ASR_pacman,5.55465,3.62286,5.53628,1.20725,323.608,999.819,828.179,0,0,0,1668.82,0.5156,0.427086,0,0,0,3,sqp,unnamed,sqp,unnamed,1,3,P 2yb,4,Zn,No,N/A,PACMAN-DDEC6,9.191504063,0.960747675,0.057461418,1.02670131,0.097452687,1.092419671,0.095490727,0.00131672,0.565770901,256,SI,10.1039/C7DT04484D,2019,2019/1/23,RSC,All Solvent Removed,TRUE,379.5,0.24520022,0.637857143,strong,
263,2019[Zn][nan]3[ASR]2,c7dt04566b2_3_ASR_pacman,-,[O-]C(=O)c1c(F)c(F)c(c(c1F)F)c1c(F)c(F)c(c(c1F)F)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c7dt04566b2_3_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7dt04566b2_3_ASR_pacman,7.57818,5.57079,7.57818,1.11124,1062.08,1976.4,1778.55,0,0,0,3390.87,0.631,0.567832,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,C -2yc,9,Zn,Yes,Zn,PACMAN-DDEC6,16.64868984,0.752978725,0.007269251,0.83648194,0.007284342,0.910123627,0.005347996,0.001571449,0.283187608,216,SI,10.1039/C7DT04566B,2019,2019/1/15,RSC,All Solvent Removed,FALSE,344,0.69281304,0.671538462,strong,
264,2019[Zn][pcu]3[ASR]1,c7dt04566b2_6_ASR_pacman,-,unknown,[C4O8Zn2_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;c7dt04566b2_6_ASR_pacman,4.80806,4.03828,4.76244,1.50833,142.205,638.684,423.436,12.7685,57.3472,38.0202,1064.73,0.4782,0.317038,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,13.66489366,0.818975833,0.014693116,0.926436447,0.01138159,1.000436578,0.011207661,0.001814607,0.280170339,148,SI,10.1039/C7DT04566B,2019,2019/1/15,RSC,All Solvent Removed,TRUE,406.1,0.93988967,0.837975095,weak,
265,2019[Zn][sql]2[ASR]1,c7dt04659f2_3_ASR_pacman,-,CCCCCCOc1cc(C=Cc2ccncc2)c(cc1C=Cc1ccncc1)OCCCCCC.[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat1;c7dt04659f2_3_ASR_pacman,[C4O8Zn2_Type-1].[C][C][C][C][C][C][O][C][=C][C][Branch1][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][#C][C][=C][Ring1][=C][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][C][C][C][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;c7dt04659f2_3_ASR_pacman,5.3698,3.52897,5.34657,1.23878,204.834,624.21,503.89,0,0,0,1507.52,0.4594,0.370848,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,8.999865,0.967527984,0.052340722,1.071685388,0.090429717,1.110036621,0.097780105,0.001425086,0.550969774,272,SI,10.1039/C7DT04659F,2019,2019/1/23,RSC,All Solvent Removed,TRUE,358.4,0.9486003,0.65,none,
266,2019[Ni][fes]2[ASR]1,c7dt04838f2_1_ASR_pacman,-,CC(c1cc2Sc3cc(cc(c3[O])Sc3cc(cc(Sc4c(c(Sc(c1)c2[O])cc(c4)C(C)(C)C)[O])c3[O])C(C)(C)C)C(C)(C)C)(C)C.[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cncnc1.[O]S(=O)(=O)[O] MOFid-v1.unknown.cat0;c7dt04838f2_1_ASR_pacman,unknown,7.26101,4.11236,7.26032,1.13249,952.481,1217.24,1074.83,0,0,0,4195.73,0.5362,0.473471,0,0,0,2,fes,unnamed,fes,unnamed,1,3,-P 2ybc,14,Ni,Yes,Ni,PACMAN-DDEC6,9.956223433,0.940438074,0.047188898,1.032499474,0.082426982,1.132781056,0.072647581,0.00192343,0.362039097,536,SI,10.1039/C7DT04838F,2019,2019/1/9,RSC,All Solvent Removed,FALSE,367.3,0.75798464,0.88,none,
267,2017[In][nan]2[ASR]1,c7fd00085e2_2_ASR_pacman,-,O=C(c1ccc(cc1)C(=O)NCC(=O)[O-])NCC(=O)[O-].[In].[OH] MOFid-v1.ERROR.cat0;c7fd00085e2_2_ASR_pacman,[In1_Type-1].[O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1][N][C][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.ERROR.cat0;c7fd00085e2_2_ASR_pacman,4.95019,4.49382,4.94851,1.62926,53.4002,638.884,392.132,0,0,0,358.741,0.4292,0.263433,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,In,No,N/A,PACMAN-DDEC6,12.42554364,0.815012817,0.023793413,0.908305316,0.027473188,0.971733499,0.032339917,0.001567207,0.349828157,66,SI,10.1039/C7FD00085E,2017,2017,RSC,All Solvent Removed,TRUE,306.9,0.49677458,0.5005,weak,
268,2017[Cu][hcb]2[ASR]2,c7nj00188f2_2_ASR_pacman,-,Cc1nccn1CCCn1ccnc1C.[Cu].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hcb.cat1;c7nj00188f2_2_ASR_pacman,[C2Cu1O4_Type-1].[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat1;c7nj00188f2_2_ASR_pacman,4.1714,3.40897,4.16731,1.14721,153.454,613.608,534.868,0,0,0,1246.92,0.4986,0.434618,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,8.99859375,0.979881969,0.049265224,1.086904711,0.081383058,1.146561474,0.07484383,0.001666795,0.487737778,192,SI,10.1039/C7NJ00188F,2017,2017,RSC,All Solvent Removed,FALSE,344.7,0.59887797,0.928226601,strong,
269,2017[Co][pcu]3[ASR]1,c7nj00188f2_3_ASR_pacman,-,Cc1nccn1CCCn1ccnc1C.[Co][Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.pcu.cat1;c7nj00188f2_3_ASR_pacman,[C4Co2O8_Type-1].[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;c7nj00188f2_3_ASR_pacman,5.14896,3.62698,5.05778,1.20211,398.589,1109.16,922.683,0,0,0,1801.83,0.5014,0.417101,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,10.00565923,0.931358688,0.03595087,1.024469166,0.063976546,1.095592583,0.067844475,0.001642339,0.442321514,260,SI,10.1039/C7NJ00188F,2017,2017,RSC,All Solvent Removed,FALSE,366.2,0.66430926,0.759655172,weak,
270,2017[Co][sql]2[ASR]3,c7nj00540g2_ASR_pacman,-,unknown,unknown,5.61438,4.77354,5.61438,1.06296,222.536,1335.3,1256.21,0,0,0,883.612,0.5302,0.498795,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,9.698183909,0.914148143,0.038507564,1.02651097,0.070409666,1.081587453,0.088525011,0.001674393,0.42137794,110,SI,10.1039/C7NJ00540G,2017,2017,RSC,All Solvent Removed,TRUE,390,0.8423482,0.652,weak,
271,2018[Cd][pcu]3[ASR]1,c7nj01509g2_ASR_pacman,-,unknown,[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.hxl.cat0;c7nj01509g2_ASR_pacman,5.02261,3.88863,5.02261,1.35951,297.981,1009.77,742.74,0,0,0,1484.35,0.503,0.369985,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,12.32656939,0.771649326,0.022985158,0.853992915,0.049144941,0.903928537,0.058558234,0.001322792,0.380213024,196,SI,10.1039/C7NJ01509G,2018,2018/11/7,RSC,All Solvent Removed,FALSE,383.4,0.9158026,0.765813955,strong,
272,2017[La][nan]2[ASR]1,c7nj01697b2_ASR_pacman,-,[La].[O]P(=O)(Cc1cc(CP(=O)([O])[O])c(cc1CP(=O)([O])[O])CP(=O)([O])[O])[O] MOFid-v1.ERROR.cat0;c7nj01697b2_ASR_pacman,[La1_Type-1].[OH0][P][=Branch1][C][=O][Branch2][Ring2][=Branch2][C][C][=C][C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][OH0][OH0][=C][Branch1][=C][C][=C][Ring1][O][C][P][=Branch1][C][=O][Branch1][C][OH0][OH0][C][P][=Branch1][C][=O][Branch1][C][OH0][OH0][OH0] MOFid-v2.ERROR.cat0;c7nj01697b2_ASR_pacman,6.01098,4.02105,6.01098,1.68325,166.822,892.909,530.468,7.96204,42.6165,25.3181,913.971,0.4892,0.290629,0,0,0,2,unnamed,unnamed,unstable,unnamed,1,3,-C 2y,12,La,No,N/A,PACMAN-DDEC6,16.909327,0.69572065,0.012534485,0.781124475,0.013673968,0.821149648,0.013641735,0.00125429,0.326996765,112,SI,10.1039/C7NJ01697B,2017,2017,RSC,All Solvent Removed,FALSE,359.3,0.7281445,0.67,none,
273,2018[Co][flu]3[ASR]1,c7nj02904g2_1_ASR_pacman,-,"[Co].[O-]C(=O)c1cc(CN2[N]C(=N[C]2c2ccncc2)c2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.unknown,flt.cat0;c7nj02904g2_1_ASR_pacman","[C4Co2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][N][NH0][C][=Branch1][=N][=N][CH0][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,flt.cat0;c7nj02904g2_1_ASR_pacman",4.22907,2.83701,4.01008,1.35477,0,0,0,47.8246,425.686,314.213,489.834,0.436,0.321826,0,0,0,3,flu,unnamed,flt,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,10.41573216,0.908763059,0.026070399,1.025678024,0.053474033,1.082710232,0.062069502,0.001739472,0.39690201,88,SI,10.1039/C7NJ02904G,2018,2018/11/2,RSC,All Solvent Removed,TRUE,365,0.77326286,0.84,weak,
274,2018[Mn][nan]3[ASR]1,c7nj02904g2_2_ASR_pacman,-,"[Mn].[O-]C(=O)c1cc(CN2[N]C(=N[C]2c2ccncc2)c2ccncc2)cc(c1)C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])Cn1nc(nc1c1ccncc1)c1ccncc1 MOFid-v1.ant,bey.cat0;c7nj02904g2_2_ASR_pacman","[C4Mn2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][N][NH0][C][=Branch1][=N][=N][CH0][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][N][N][=C][Branch1][=N][N][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ant,bey.cat0;c7nj02904g2_2_ASR_pacman",5.32496,3.69453,5.31953,1.07797,733.726,1310.55,1215.76,0,0,0,3026.6,0.5406,0.501499,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Mn,Yes,Mn,PACMAN-DDEC6,10.3249333,0.912053791,0.029165131,1.01343321,0.056876638,1.074137248,0.067774676,0.001620835,0.432582652,352,SI,10.1039/C7NJ02904G,2018,2018/11/2,RSC,All Solvent Removed,FALSE,427,0.9768088,0.57,weak,
275,2019[Zn][pts]3[ASR]1,c7nj04355d2_ASR_pacman,-,[O-]C(=O)c1cc(N2[N]C=N[CH]2)c(cc1N1[N]C=N[CH]1)C(=O)[O-].[Zn] MOFid-v1.pts.cat0;c7nj04355d2_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][N][NH0][C][=N][CH1][Ring1][Branch1][=C][Branch1][N][C][=C][Ring1][O][N][NH0][C][=N][CH1][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pts.cat0;c7nj04355d2_ASR_pacman,5.6478,4.32887,5.6478,0.978504,287.159,2326.87,2377.99,0,0,0,784.887,0.636,0.649972,0,0,0,3,pts,unnamed,pts,unnamed,1,2,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,12.53771862,0.831088864,0.023585157,0.917436578,0.037122078,0.990789449,0.048186777,0.001597006,0.354152915,58,SI,10.1039/C7NJ04355D,2019,2019/1/12,RSC,All Solvent Removed,FALSE,323.6,0.8290927,0.426875,weak,
276,2019[Cd][hcb]2[ASR]2,c7nj05125e2_4_ASR_pacman,-,Cl[Cd]Cl.c1cc(CN(Cc2cccc(c2)Cn2cncc2)Cc2cccc(c2)Cn2cncc2)cc(c1)Cn1cncc1 MOFid-v1.hcb.cat1;c7nj05125e2_4_ASR_pacman,[Cd1Cl2_Type-1].[C][=C][C][Branch2][Ring2][N][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring2][C][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.hcb.cat1;c7nj05125e2_4_ASR_pacman,5.68146,2.54273,5.68146,1.36333,0,0,0,231.911,334.748,245.537,2859.84,0.4128,0.302788,0,0,0,2,hcb,unnamed,hcb,unnamed,2,2,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,9.354987105,0.903344739,0.044390428,1.018292323,0.069333174,1.093709328,0.066540736,0.001903646,0.338839398,608,SI,10.1039/C7NJ05125E,2019,2019/3/7,RSC,All Solvent Removed,TRUE,326.4,0.8129902,0.65,weak,
277,2019[Mg][sql]2[ASR]1,c7qi00734e2_2_ASR_pacman,-,[Mg].[O-]C(=O)c1ccc(cc1)OCC(COc1ccc(cc1)C(=O)[O-])(COc1ccc(cc1)C(=O)[O-])COc1ccc(cc1)C(=O)[O-] MOFid-v1.kgd.cat1;c7qi00734e2_2_ASR_pacman,[C8Mg4O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat1;c7qi00734e2_2_ASR_pacman,5.47287,4.32297,4.85327,1.13852,368.683,477.918,419.771,278.899,361.532,317.545,3758.44,0.4872,0.427924,0,0,0,2,sql,unnamed,unnamed,unnamed,2,3,-P 2ac 2ab,61,Mg,Yes,Mg,PACMAN-DDEC6,9.311921972,0.975777276,0.039120674,1.104910476,0.070905746,1.170553356,0.082516561,0.001947761,0.402030756,568,SI,10.1039/C7QI00734E,2019,2019/2/9,RSC,All Solvent Removed,FALSE,397.7,0.35578942,0.43,strong,
278,2019[Zn][pcu]3[ASR]2,c7qi00765e2_1_ASR_pacman,-,O=N(=O)C1=N[CH]C=N1.[N]1C=NN=N1.[Zn] MOFid-v1.frl.cat0;c7qi00765e2_1_ASR_pacman,unknown,5.61495,4.15563,5.61495,1.46672,333.758,1082.57,738.087,0,0,0,1502.67,0.4874,0.332305,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-I 2 2c,72,Zn,No,N/A,PACMAN-DDEC6,14.03634969,0.778291917,0.016235883,0.881065803,0.02181311,0.939467467,0.03205494,0.001611756,0.302160637,194,SI,10.1039/C7QI00765E,2019,2019/1/8,RSC,All Solvent Removed,TRUE,369.3,0.7115322,0.863333333,weak,
279,2017[Y][nia]3[ASR]1,c7qm00164a2_ASR_pacman,-,unknown,unknown,7.04303,4.2161,7.03432,1.03683,403.438,1795.91,1732.11,0,0,0,1326.29,0.5904,0.569427,0,0,0,3,nia,unnamed,jjt,unnamed,1,2,P 3 -2c,159,Y,No,N/A,PACMAN-DDEC6,12.09177638,0.869986267,0.01715801,0.976636937,0.040162595,1.037865816,0.04498122,0.001678795,0.373917923,116,SI,10.1039/C7QM00164A,2017,2017,RSC,All Solvent Removed,TRUE,388.1,0.78367877,0.55,weak,
280,2017[Cd][kgd]2[ASR]3,c7ra05090a2_ASR_pacman,-,"[Cd].[O-]C(=O)c1ccc(cc1)Oc1cc(cc(c1)Oc1ccc(cc1)C(=O)[O-])Oc1ccc(cc1)C(=O)[O-] MOFid-v1.kgd,ERROR.cat1;c7ra05090a2_ASR_pacman","[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd,ERROR.cat1;c7ra05090a2_ASR_pacman",8.81733,7.87055,8.81145,0.989946,1647.46,1882.88,1902.01,0,0,0,5664.53,0.6474,0.653975,0,0,0,2,kgd,unnamed,kgd,unnamed,2,3,F 2 2 -1d,70,Cd,Yes,Cd,PACMAN-DDEC6,12.41941143,0.76426579,0.022728304,0.857087297,0.044880392,0.909444476,0.059312299,0.001451787,0.335473784,420,SI,10.1039/C7RA05090A,2017,2017,RSC,All Solvent Removed,FALSE,359.1,0.78924793,0.779411765,strong,
281,2017[Pr][kgd]2[ASR]1,c7ra06320b2_ASR_pacman,-,unknown,unknown,6.20249,5.40528,6.09893,1.04005,788.532,1977.65,1901.51,0,0,0,2422.63,0.6076,0.584205,0,0,0,2,kgd,unnamed,kgd,unnamed,2,3,C -2yc,9,Pr,Yes,Pr,PACMAN-DDEC6,12.00615673,0.792039898,0.025523234,0.881456824,0.052550101,0.933257692,0.057280981,0.001412178,0.37465586,208,SI,10.1039/C7RA06320B,2017,2017,RSC,All Solvent Removed,FALSE,417.2,0.9260808,0.92,none,
282,2017[Co][nan]2[ASR]1,c7ra07089f2_ASR_pacman,-,[Co].[O-]C(=O)c1cc(cc(c1)n1cnnc1)n1cnnc1.[OH] MOFid-v1.ERROR.cat1;c7ra07089f2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1].[OH1] MOFid-v2.ERROR.cat1;c7ra07089f2_ASR_pacman,4.4232,4.15363,4.39073,1.47031,71.4553,477.64,324.856,0,0,0,648.07,0.4332,0.294631,0,0,0,2,unstable,unnamed,mismatch,unnamed,2,3,-C 2c 2,63,Co,No,N/A,PACMAN-DDEC6,11.41906259,0.867666201,0.030194083,0.982573101,0.055095088,1.026423823,0.063497459,0.001587576,0.403236024,116,SI,10.1039/C7RA07089F,2017,2017,RSC,All Solvent Removed,TRUE,297.8,0.25581312,0.696212121,superstrong_high_loading,
283,2017[Cd][bey]2[ASR]1,c7ra08165k2_4_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].c1ncn(c1)c1cc(cc(c1)n1cncc1)n1cncc1 MOFid-v1.bey.cat0;c7ra08165k2_4_ASR_pacman,unknown,7.69675,5.41267,7.69675,1.0546,633.152,1802.2,1708.9,0,0,0,2071.4,0.5896,0.559076,0,0,0,2,bey,unnamed,bey,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,11.38364694,0.82403092,0.027878904,0.914456708,0.054796079,0.974402592,0.065846688,0.001503717,0.377995892,196,SI,10.1039/C7RA08165K,2017,2017,RSC,All Solvent Removed,TRUE,351.8,0.7254911,0.51,unknown,
284,2017[Cd][kgd]2[ASR]4,c7ra08188j2_3_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;c7ra08188j2_3_ASR_pacman,unknown,3.94811,3.22222,3.93583,1.65857,0,0,0,13.6124,143.806,86.7045,364.246,0.3848,0.232007,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.8181845,0.804472596,0.02511227,0.90017294,0.054382671,0.951883026,0.063155816,0.001474104,0.369573016,80,SI,10.1039/C7RA08188J,2017,2017,RSC,All Solvent Removed,FALSE,355.2,0.8456585,0.46,unknown,
285,2017[Zn][dia]3[ASR]8,c7ra08427g2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])Cn1nc(nc1c1ccncc1)c1ccncc1.[Zn] MOFid-v1.hcb,cpr.cat1;c7ra08427g2_ASR_pacman","[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][N][N][=C][Branch1][=N][N][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.hcb,cpr.cat1;c7ra08427g2_ASR_pacman",4.56185,3.67847,4.43809,1.24594,174.379,703.814,564.886,0,0,0,1207.1,0.4872,0.39103,0,0,0,3,dia,unnamed,tfv,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.56225045,0.883400769,0.030072611,0.996956002,0.059706507,1.049919851,0.070444255,0.001665191,0.393942086,176,SI,10.1039/C7RA08427G,2017,2017,RSC,All Solvent Removed,TRUE,348.8,0.8683183,0.79,weak,
286,2017[Cu][sql]2[ASR]3,c7ra10207k2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)c1ccc(s1)C(=O)[O-])c1ccc(cc1)c1ccc(s1)C(=O)[O-] MOFid-v1.sql.cat0;c7ra10207k2_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c7ra10207k2_ASR_pacman,6.142,4.96141,6.13182,1.17524,423.998,1096.39,932.908,0,0,0,1928.96,0.4988,0.424423,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.03613097,0.871757955,0.026610899,0.974298515,0.056652946,1.02759536,0.066345286,0.001558374,0.412453024,248,SI,10.1039/C7RA10207K,2017,2017/11/15,RSC,All Solvent Removed,FALSE,267,0.86281127,0.64,strong,
287,2018[Zn][sql]2[ASR]3,c7ra12874f2_3_ASR_pacman,-,[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.ERROR.cat0;c7ra12874f2_3_ASR_pacman,unknown,4.85029,3.71599,4.85029,1.29828,68.3928,552.586,425.629,0,0,0,528.987,0.4274,0.329204,0,0,0,2,sql,unnamed,sql,unnamed,3,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,8.959664444,0.977361271,0.053195043,1.081896061,0.092196111,1.130276466,0.106285007,0.001529152,0.527974751,108,SI,10.1039/C7RA12874F,2018,2018/2/16,RSC,All Solvent Removed,TRUE,309.1,0.6634777,0.71089881,weak,
288,2017[Co][nan]3[ASR]5,c7sc00449d2_2_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;c7sc00449d2_2_ASR_pacman,unknown,7.70477,5.78407,7.70477,1.38138,186.374,1404.4,1016.66,0,0,0,746.878,0.5628,0.407419,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,16.72686682,0.765445045,0.019276523,0.855435406,0.012991181,0.857243332,0.032091839,0.000917983,0.504747256,66,SI,10.1039/C7SC00449D,2017,2017,RSC,All Solvent Removed,FALSE,291.1,0.60882336,0.545376344,weak,
289,2017[Co][nan]3[ASR]6,c7sc00449d2_3_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;c7sc00449d2_3_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7sc00449d2_3_ASR_pacman,11.52622,10.85638,11.52562,1.17257,208.409,1572.45,1341.04,0,0,0,862.552,0.6508,0.555022,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.702261101,0.010017176,0.770437122,0.016231517,0.826148021,0.018220614,0.001238869,0.332677863,54,SI,10.1039/C7SC00449D,2017,2017,RSC,All Solvent Removed,TRUE,230.9,0.9372656,0.180285714,weak,
290,2017[Co][nan]3[ASR]7,c7sc00449d2_6_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;c7sc00449d2_6_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7sc00449d2_6_ASR_pacman,11.37157,10.81985,11.3699,1.17979,613.054,1551.34,1314.93,0,0,0,2553.64,0.6462,0.547726,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.705104787,0.010058742,0.77781245,0.01410639,0.830481437,0.016867229,0.001253767,0.332314614,162,SI,10.1039/C7SC00449D,2017,2017,RSC,All Solvent Removed,FALSE,245.5,0.9299389,0.180285714,weak,
291,2017[Co][nan]3[ASR]8,c7sc00449d2_7_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;c7sc00449d2_7_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7sc00449d2_7_ASR_pacman,11.48102,10.84497,11.48102,1.17528,205.167,1551.58,1320.18,0,0,0,850.246,0.643,0.547104,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.702206942,0.009884345,0.776145625,0.014073136,0.827704584,0.016979566,0.001254976,0.329443968,54,SI,10.1039/C7SC00449D,2017,2017,RSC,All Solvent Removed,FALSE,230.9,0.93694794,0.180285714,weak,
292,2017[Cd][met]3[ASR]1,c7sc03067c2_ASR_pacman,-,N1=CC=N[N]1.[CH]1C=NN=N1.[Cd].[N]1C=CN=N1 MOFid-v1.met.cat0;c7sc03067c2_ASR_pacman,[Cd1_Type-1].[N][=C][C][=N][NH0][Ring1][Branch1].[CH1][C][=N][N][=N][Ring1][Branch1].[NH0][C][=C][N][=N][Ring1][Branch1] MOFid-v2.met.cat0;c7sc03067c2_ASR_pacman,6.42627,4.13446,6.42627,1.52446,945.854,1455.81,954.964,0,0,0,3650.08,0.5618,0.368524,0,0,0,3,met,unnamed,met,unnamed,1,3,P 2ac 2ab 3,198,Cd,No,N/A,PACMAN-DDEC6,16.568384,0.602902698,0.027079356,0.654741927,0.036975088,0.752518855,0.049465509,0.001496162,0.146397945,360,SI,10.1039/C7SC03067C,2017,2017,RSC,All Solvent Removed,FALSE,306.3,0.743285,0.82,weak,
293,2017[Ni][nan]3[ASR]1,c7sc04192f2_ASR_pacman,-,"O=C(c1ccc(s1)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Ni][OH2][Ni] MOFid-v1.nbo,tfb.cat0;c7sc04192f2_ASR_pacman","[C4H2Ni2O9_Type-1].[O][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;c7sc04192f2_ASR_pacman",11.74076,5.45981,11.74076,0.798725,6650.49,2116.37,2649.69,0.354695,0.112874,0.141318,22336.1,0.7108,0.889918,0,0,0,3,unstable,unnamed,tfb,unnamed,2,3,-I 2b 2c 3,206,Ni,Yes,Ni,PACMAN-DDEC6,12.5957856,0.836969065,0.017640359,0.926644688,0.039602618,0.985642937,0.048429742,0.001486739,0.396060342,1200,SI,10.1039/C7SC04192F,2017,2017/11/15,RSC,All Solvent Removed,FALSE,371.7,0.8818451,0.715,strong,
294,2017[Zn][nan]3[ASR]6,c7sc04266c2_ASR_pacman,-,unknown,unknown,17.39177,16.57119,17.39177,0.768967,369.006,1420.54,1847.33,0,0,0,1967.98,0.7576,0.985218,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,14.31978,0.740030009,0.018673263,0.830172284,0.030066683,0.882023708,0.038272085,0.001419937,0.32043072,84,SI,10.1039/C7SC04266C,2017,2017/10/26,RSC,All Solvent Removed,FALSE,372.3,0.9503851,0.490643223,weak,
295,2018[Mn][bcu]3[ASR]1,c7sc05390h2_1_ASR_pacman,-,O=C1c2ccc(cc2C(=O)c2c1cc(cc2)C(=O)[O-])C(=O)[O-].[Mn].[O-]C(=O)c1ccc2c(c1)C(=O)c1c(C2=O)ccc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c7sc05390h2_1_ASR_pacman,[C14Mn7O28_Type-1].[O][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][Branch2][=O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c7sc05390h2_1_ASR_pacman,7.60082,6.12799,7.60082,0.922419,918.489,2087.54,2263.12,0,0,0,2717.35,0.6176,0.669544,0,0,0,3,bcu,unnamed,bcu,unnamed,1,3,-P 1,2,Mn,Yes,Mn,PACMAN-DDEC6,12.03976845,0.864059852,0.014969421,0.964135496,0.036061898,1.02203101,0.045198172,0.001579712,0.397176391,203,SI,10.1039/C7SC05390H,2018,2018/2/15,RSC,All Solvent Removed,FALSE,404.6,0.47460434,0.758461538,strong,
296,2018[Mn][bcu]3[ASR]2,c7sc05390h2_2_ASR_pacman,-,O=C1c2ccc(cc2C(=O)c2c1cc(cc2)C(=O)[O-])C(=O)[O-].[Mn].[O-]C(=O)c1ccc2c(c1)C(=O)c1c(C2=O)ccc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c7sc05390h2_2_ASR_pacman,[C14Mn7O28_Type-1].[O][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][Branch2][=O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c7sc05390h2_2_ASR_pacman,8.46431,6.42171,8.4452,0.884009,975.463,2124.72,2403.5,0,0,0,2972.23,0.6474,0.732346,0,0,0,3,bcu,unnamed,bcu,unnamed,1,3,-P 1,2,Mn,Yes,Mn,PACMAN-DDEC6,12.03976845,0.858162312,0.016147763,0.963488998,0.036918914,1.018970813,0.044611168,0.001608085,0.384044284,203,SI,10.1039/C7SC05390H,2018,2018/2/15,RSC,All Solvent Removed,FALSE,403.7,0.5218724,0.7,none,
297,2017[Zn][hcb]2[ASR]3,c7ta01070b2_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccccc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.hcb.cat0;c7ta01070b2_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][P][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;c7ta01070b2_ASR_pacman,10.48991,3.42602,10.4591,0.893598,1536.89,1633.86,1828.41,0,0,0,6006.97,0.6386,0.714639,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.1985515,0.826325398,0.028093424,0.927232445,0.05405151,0.981692796,0.067259231,0.001553674,0.367964321,452,SI,10.1039/C7TA01070B,2017,2017,RSC,All Solvent Removed,FALSE,421.4,0.6862246,0.38,strong,
298,2017[Co][pcu]3[ASR]2,c7ta01546a2_ASR_pacman,-,Cc1nccn1c1ncnc(c1)n1ccnc1C.[Co][Co].[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-] MOFid-v1.pcu.cat1;c7ta01546a2_ASR_pacman,[C4Co2O8_Type-1].[C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;c7ta01546a2_ASR_pacman,4.25065,2.91668,4.25065,1.36161,0,0,0,122.965,320.504,235.386,1655.11,0.4314,0.31683,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,10.34838882,0.908506536,0.030352703,1.01532826,0.064528345,1.07059153,0.076308096,0.00162085,0.430844629,304,SI,10.1039/C7TA01546A,2017,2017,RSC,All Solvent Removed,TRUE,385,0.8007305,0.818226601,weak,
299,2017[Co][tfz]3[ASR]2,c7ta02611k2_ASR_pacman,-,"[Co]12[OH]3[Co]4[OH]2[Co]2[OH]4[Co]4[OH]5[Co]3[OH]1[Co]5[OH]24.[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown,ERROR.cat0;c7ta02611k2_ASR_pacman","[C6Co6H6O18_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN,ERROR.cat0;c7ta02611k2_ASR_pacman",9.53481,8.88161,9.53034,0.75846,1388.7,1895.84,2499.59,0,0,0,5002.96,0.683,0.900509,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-P 6c 2,193,Co,No,N/A,PACMAN-DDEC6,10.58760209,0.876529273,0.035282345,0.95708618,0.061617357,1.024388899,0.070933104,0.001478596,0.435159426,316,SI,10.1039/C7TA02611K,2017,2017,RSC,All Solvent Removed,TRUE,304.6,0.8827287,0.78,weak,
300,2017[Cu][rtl]3[ASR]1,c7ta02760e2_1_ASR_pacman,-,"Cc1ncn(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.rtl,sql.cat0;c7ta02760e2_1_ASR_pacman","[C4Cu2O8_Type-1].[C][C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;c7ta02760e2_1_ASR_pacman",4.386,2.77373,4.38022,1.18538,0,0,0,103.852,602.231,508.05,915.343,0.5308,0.447789,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,11.39810815,0.857648984,0.025843765,0.949159886,0.054438404,1.007632529,0.063542976,0.001499835,0.413204727,108,SI,10.1039/C7TA02760E,2017,2017,RSC,All Solvent Removed,TRUE,305.7,0.7951859,0.5,weak,
301,2017[Cu][rtl]3[ASR]2,c7ta02760e2_2_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1cc(cc(c1)n1cncc1)C(=O)[O-] MOFid-v1.rtl,sql.cat0;c7ta02760e2_2_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;c7ta02760e2_2_ASR_pacman",4.3583,3.52183,4.33176,1.10472,264.048,1495.15,1353.42,0,0,0,1062.45,0.6016,0.544574,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,12.23843083,0.829857358,0.023001791,0.914932167,0.046524385,0.988935942,0.05735337,0.001590786,0.354466779,96,SI,10.1039/C7TA02760E,2017,2017,RSC,All Solvent Removed,TRUE,293.8,0.7197384,0.62,unknown,
302,0000[Cu][apo]3[ASR]1,c7ta02760e2_4_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)n1ccnc1C)C(=O)[O-] MOFid-v1.apo.cat0;c7ta02760e2_4_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][O-1] MOFid-v2.apo.cat0;c7ta02760e2_4_ASR_pacman,4.78705,3.66848,4.77757,1.10662,649.004,1756.73,1587.48,0,0,0,2167.13,0.5866,0.530085,0,0,0,3,apo,unnamed,apo,unnamed,1,3,-P 2n 2ab,60,Cu,No,N/A,PACMAN-DDEC6,11.39810815,0.864326142,0.02564371,0.927452466,0.050602657,1.015815171,0.062651003,0.00151489,0.405652994,216,SI,10.1039/C7TA02760E,unknown,unknown,RSC,All Solvent Removed,TRUE,390.1,0.672141,0.538461538,weak,
303,2018[Er][nan]3[ASR]1,c7ta03744a2_ASR_pacman,-,unknown,[Er1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][P][=Branch1][C][=O][Branch1][C][OH0][OH0] MOFid-v2.ERROR.cat0;c7ta03744a2_ASR_pacman,4.55268,2.94362,4.55268,1.96126,0,0,0,123.736,741.116,377.877,914.267,0.5476,0.279208,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Er,Yes,Er,PACMAN-DDEC6,21.43421091,0.53833733,0.013329579,0.591147552,0.021737295,0.614298532,0.025947036,0.000759612,0.31539693,92,SI,10.1039/C7TA03744A,2018,2018/11/8,RSC,All Solvent Removed,FALSE,435.9,0.31789994,0.7,none,
304,2017[CoFe][nan]2[ASR]1,c7ta03773b2_2_ASR_pacman,-,[Co].[Fe].[O-]C(=O)C1=CC=C[CH]1.[O-]C(=O)C1=C[CH]C=C1.[O-]C(=O)[C]1C=CC=C1.n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat1;c7ta03773b2_2_ASR_pacman,unknown,4.61119,3.38932,4.58689,1.35961,473.179,497.052,365.584,0,0,0,4175.34,0.4386,0.322592,0,0,0,2,mismatch,unnamed,mismatch,unnamed,4,3,P 2ac 2ab,19,"Co,Fe",Yes,Co,PACMAN-DDEC6,10.59025293,0.880964363,0.034913827,0.987159196,0.069339436,1.030344726,0.082235192,0.001493804,0.443324824,736,SI,10.1039/C7TA03773B,2017,2017,RSC,All Solvent Removed,FALSE,375.6,0.51763934,0.465,unknown,
305,2017[Co][nan]3[ASR]9,c7ta03917d2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccc(cc1)C(=O)[O-])C=C3)[N]2 MOFid-v1.ERROR.cat0;c7ta03917d2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][=Branch2][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Branch1][Ring1][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][S][NH0][Ring2][Ring2][N] MOFid-v2.ERROR.cat0;c7ta03917d2_ASR_pacman,5.76378,2.59733,5.76378,1.30886,0,0,0,68.8215,238.033,181.862,1164.6,0.4028,0.307748,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.61559943,0.91615707,0.039114543,1.072359069,0.053676077,1.133254212,0.075212323,0.002170971,0.28075012,237,SI,10.1039/C7TA03917D,2017,2017,RSC,All Solvent Removed,TRUE,555,0.8948114,0.69,none,
306,2017[Cu][sql]2[ASR]4,c7ta05598f2_ASR_pacman,-,[Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat1;c7ta05598f2_ASR_pacman,[Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c7ta05598f2_ASR_pacman,6.17614,3.45944,6.17614,0.793068,563.457,1789.63,2256.6,0,0,0,2027.6,0.644,0.812036,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.168630244,0.949896367,0.00343123,1.092327571,0.004350138,1.231361212,0.003355999,0.002814648,0.106068092,164,SI,10.1039/C7TA05598F,2017,2017,RSC,All Solvent Removed,FALSE,322,0.8744968,0.576666667,weak,
307,2018[InCu][nan]3[ASR]1,c7ta08288f2_ASR_pacman,-,[Cu].[In].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-] MOFid-v1.unknown.cat1;c7ta08288f2_ASR_pacman,[C4In1O8_Type-1].[Cu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat1;c7ta08288f2_ASR_pacman,4.60859,4.02814,4.60366,1.25332,991.675,1411.71,1126.38,0,0,0,3877.6,0.552,0.440431,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,I 4bw 2aw -1bw,142,"In,Cu",Yes,Cu,PACMAN-DDEC6,13.2547616,0.770585612,0.01868569,0.864337351,0.030264769,0.930294372,0.042136503,0.001597088,0.296091785,400,SI,10.1039/C7TA08288F,2018,2018/10/12,RSC,All Solvent Removed,TRUE,382.1,0.7474628,0.46,none,
308,2017[Sc][nan]3[ASR]1,c7ta09699b2_2_ASR_pacman,-,[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;c7ta09699b2_2_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c7ta09699b2_2_ASR_pacman,6.15436,5.5019,6.1489,0.885831,574.851,1877.93,2119.97,0,0,0,1910.11,0.624,0.704423,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Sc,No,N/A,PACMAN-DDEC6,11.03341816,0.911496545,0.025938515,1.010128195,0.046931975,1.092833491,0.062342622,0.001813369,0.370140099,148,SI,10.1039/C7TA09699B,2017,2017/12/18,RSC,All Solvent Removed,TRUE,437.3,0.46676618,0.38225,weak,
309,2019[Cd][fsc]3[ASR]1,c7tc05707e2_ASR_pacman,-,"[Cd].[O-]C(=O)c1ccc(cc1)OCC(COc1ccc(cc1)C(=O)[O-])(COc1ccc(cc1)C(=O)[O-])COCC(COc1ccc(cc1)C(=O)[O-])(COc1ccc(cc1)C(=O)[O-])COc1ccc(cc1)C(=O)[O-].c1ccc2c(c1)n(cn2)c1ccc(cc1)n1cnc2c1cccc2 MOFid-v1.sql,unknown.cat0;c7tc05707e2_ASR_pacman","[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][O][C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1] MOFid-v2.sql,UNKNOWN.cat0;c7tc05707e2_ASR_pacman",7.74783,5.36023,7.74751,1.11086,710.676,1470.57,1323.81,0,0,0,2749.79,0.569,0.512217,0,0,0,3,fsc,unnamed,fsc,unnamed,2,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,10.63452342,0.841242009,0.035166059,0.927764484,0.063427982,0.988677275,0.072737171,0.001474353,0.403204488,304,SI,10.1039/C7TC05707E,2019,2019/1/22,RSC,All Solvent Removed,TRUE,343.1,0.7057628,0.87,weak,
310,2019[Zr][bey]2[ASR]1,c8cc00507a2_1_ASR_pacman,-,"[O-]C(=O)C.[O-]C(=O)c1ccc(cc1)P(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.ERROR,unknown.cat0;c8cc00507a2_1_ASR_pacman",unknown,6.81859,3.42446,6.81859,1.47843,379.763,1055.25,713.765,4.18497,11.6288,7.86566,1786.44,0.4964,0.335762,2.87904,0.0008,0.000541115,2,bey,unnamed,bey,unnamed,1,3,-P 1,2,Zr,No,N/A,PACMAN-DDEC6,13.24014283,0.809177363,0.024384637,0.895187075,0.03934872,0.960500686,0.038224287,0.001513233,0.358656745,242,SI,10.1039/C8CC00507A,2019,2019/2/19,RSC,All Solvent Removed,FALSE,343.5,0.8795562,0.848,strong,
311,2019[Yb][nan]2[ASR]1,c8cc01294f2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Yb][Yb] MOFid-v1.kgd.cat0;c8cc01294f2_1_ASR_pacman,unknown,4.73732,3.96673,4.63776,1.32706,398.229,1008.85,760.21,0,0,0,1868.68,0.4734,0.356727,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Yb,No,N/A,PACMAN-DDEC6,11.10793972,0.791481158,0.033460498,0.895144765,0.054221853,0.948879491,0.067052419,0.001573983,0.327607642,284,SI,10.1039/C8CC01294F,2019,2019/3/26,RSC,All Solvent Removed,FALSE,481.5,0.8889427,0.68,weak,
312,2019[Yb][nan]2[ASR]2,c8cc01294f2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Yb][Yb] MOFid-v1.kgd.cat0;c8cc01294f2_2_ASR_pacman,unknown,4.69534,3.91556,4.66517,1.33415,407.052,1017.33,762.535,0,0,0,1898.95,0.4746,0.355733,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Yb,No,N/A,PACMAN-DDEC6,11.0092926,0.80251498,0.034118107,0.909357334,0.053650629,0.964930644,0.06708408,0.001624157,0.323812827,292,SI,10.1039/C8CC01294F,2019,2019/3/26,RSC,All Solvent Removed,FALSE,440.5,0.9334472,0.69,strong,
313,2019[In][nan]3[ASR]1,c8cc03219j2_ASR_pacman,-,unknown,[In1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.UNKNOWN.cat0;c8cc03219j2_ASR_pacman,14.85353,14.56405,14.85148,0.975636,432.239,1435.12,1470.96,0,0,0,2116.74,0.7028,0.720351,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2c 2,63,In,No,N/A,PACMAN-DDEC6,16.38513111,0.691639227,0.01873209,0.760420656,0.031687329,0.808828331,0.042686794,0.001171891,0.343467541,108,SI,10.1039/C8CC03219J,2019,2019/5/9,RSC,All Solvent Removed,TRUE,346.3,0.8479349,0.56,strong,
314,2019[Co][pcu]3[ASR]1,c8cc04723e2_ASR_pacman,-,O=C1C(=O)C(=C1Nc1cccc(c1)C(=O)[O-])Nc1cccc(c1)C(=O)[O-].[Co].n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;c8cc04723e2_ASR_pacman,[C4Co2O8_Type-2].[O][=C][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring2][=C][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;c8cc04723e2_ASR_pacman,6.44898,5.79069,6.44898,0.956026,664.503,1691.59,1769.4,0,0,0,2307.46,0.5874,0.614419,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.919279211,0.917557619,0.032763424,1.023113469,0.065977638,1.088662321,0.079733487,0.001711047,0.410911347,228,SI,10.1039/C8CC04723E,2019,2019/7/10,RSC,All Solvent Removed,FALSE,349.1,0.7802036,0.922622378,strong,
315,2019[Cu][pts]3[ASR]1,c8cc05404e2_2_ASR_pacman,-,"I[Cu]12[Cu]3[Cu]1[Cu]23(I)(I)I.N#CC1=C(C#N)[N]C=N1 MOFid-v1.pts,bex.cat0;c8cc05404e2_2_ASR_pacman","[Cu4I4_Type-1].[N][#C][C][=C][Branch1][Ring1][C][#N][NH0][C][=N][Ring1][#Branch1] MOFid-v2.pts,bex.cat0;c8cc05404e2_2_ASR_pacman",6.57032,4.77193,6.45987,2.49229,624.763,1333.64,535.108,0,0,0,2729.27,0.5826,0.233761,0,0,0,3,pts,unnamed,pts,unnamed,1,3,P 2 2ab -1ab,59,Cu,Yes,Cu,PACMAN-DDEC6,48.82722889,0.332412838,0.005382032,0.346273954,0.007452468,0.347586331,0.011760574,0.000151735,0.288983814,144,SI,10.1039/C8CC05404E,2019,2019/8/30,RSC,All Solvent Removed,FALSE,335.1,0.27593464,0.12,weak,
316,2019[Zn][sit]3[ASR]1,c8cc05990j2_2_ASR_pacman,-,[Zn]O[Zn].c1ncn(c1)c1ccc(cc1)N(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.sit.cat1;c8cc05990j2_2_ASR_pacman,[O1Zn2_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sit.cat1;c8cc05990j2_2_ASR_pacman,7.35718,3.96602,7.35718,1.02207,831.597,1237.78,1211.06,0,0,0,3770.38,0.5612,0.549082,0,0,0,3,sit,unnamed,sit,unnamed,2,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.14835823,0.903969656,0.055079515,1.024536227,0.086799169,1.101612469,0.094244142,0.001976428,0.318289605,452,SI,10.1039/C8CC05990J,2019,2019/9/22,RSC,All Solvent Removed,FALSE,364.8,0.69391185,0.89,none,
317,2019[Dy][sql]2[ASR]1,c8cc06058d2_2_ASR_pacman,-,[Dy].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)O.[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8cc06058d2_2_ASR_pacman,unknown,6.16695,4.19416,6.16695,1.12346,315.121,1577.07,1403.76,0,0,0,1164.52,0.5828,0.518756,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Dy,Yes,Dy,PACMAN-DDEC6,12.07015321,0.781753068,0.026598262,0.869091138,0.049348414,0.918184283,0.065181891,0.001364312,0.378833575,112,SI,10.1039/C8CC06058D,2019,2019/8/10,RSC,All Solvent Removed,FALSE,319.8,0.91658694,0.7305,none,
318,2020[Ag][pts]3[ASR]1,c8cc09364d2_2_ASR_pacman,-,[Ag].c1ncn(c1)c1cc(n2cncc2)c(cc1n1cncc1)n1cncc1 MOFid-v1.bex.cat0;c8cc09364d2_2_ASR_pacman,[Ag1_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][Branch1][Branch2][N][C][=N][C][=C][Ring1][Branch1][=C][Branch1][N][C][=C][Ring1][O][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.bex.cat0;c8cc09364d2_2_ASR_pacman,5.14616,3.58328,5.13576,1.21648,148.307,1206.56,991.843,0,0,0,643.84,0.5238,0.430587,0,0,0,3,pts,unnamed,pts,unnamed,1,3,-P 1,2,Ag,Yes,Ag,PACMAN-DDEC6,10.98111122,0.792068974,0.036596409,0.881375239,0.068990405,0.941769833,0.07898548,0.001497009,0.347785012,82,SI,10.1039/C8CC09364D,2020,2020/1/8,RSC,All Solvent Removed,FALSE,310,0.89978373,0.82,weak,
319,2020[Co][nan]3[ASR]1,c8cc09655d2_ASR_pacman,-,[Co].[O]P(=O)(c1ccc(cc1)C(c1ccc(cc1)P(=O)(O)[O])(c1ccc(cc1)P(=O)(O)[O])c1ccc(cc1)P(=O)(O)[O])O.[O]P(=O)(c1ccc(cc1)C(c1ccc(cc1)P(=O)([O])O)(c1ccc(cc1)P(=O)([O])O)c1ccc(cc1)P(=O)([O])O)O MOFid-v1.unknown.cat0;c8cc09655d2_ASR_pacman,[Co1_Type-1].[OH0][P][=Branch1][C][=O][Branch2][=Branch1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][OH0][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][OH0][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][OH0][O].[OH0][P][=Branch1][C][=O][Branch2][=Branch1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][OH0][O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][OH0][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][OH0][O][O] MOFid-v2.UNKNOWN.cat0;c8cc09655d2_ASR_pacman,5.67015,4.23977,5.67015,1.18335,732.765,1730.97,1462.78,0,0,0,2399.41,0.5668,0.478981,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,11.97111965,0.84144715,0.024935319,0.935145437,0.052636383,0.976507017,0.059020377,0.001350599,0.444990336,252,SI,10.1039/C8CC09655D,2020,2020/5/20,RSC,All Solvent Removed,FALSE,349.9,0.6657554,0.52,weak,
320,2020[Sc][ceq]3[ASR]1,c8cc10116g2_3_ASR_pacman,-,[O-]C(=O)c1cc(nc(c1)n1[n-]cc(c1)C(=O)[O-])n1[n-]cc(c1)C(=O)[O-].[Sc][O]([Sc])[Sc] MOFid-v1.ceq.cat0;c8cc10116g2_3_ASR_pacman,unknown,11.9339,9.85072,11.9312,0.70807,1100.76,1882.03,2657.97,0,0,0,4219.33,0.7214,1.01883,0,0,0,3,ceq,unnamed,ceq,unnamed,1,3,P -6 -2,189,Sc,Yes,Sc,PACMAN-DDEC6,12.59578509,0.861161498,0.019409742,0.946350537,0.034740708,1.039428255,0.044119572,0.001782668,0.325046445,198,SI,10.1039/C8CC10116G,2020,2020/2/22,RSC,All Solvent Removed,FALSE,341.3,0.43638474,0.5,superstrong_high_loading,
321,2020[Cu][dia]3[ASR]3,c8cc10269d2_ASR_pacman,-,unknown,[Cu1_Type-1].[O][=C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Ring1][=N][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.dia.cat0;c8cc10269d2_ASR_pacman,10.87974,10.56887,10.87974,0.821251,519.898,1421.66,1731.09,0,0,0,2343.39,0.6408,0.780273,0,0,0,3,dia,unnamed,dia,unnamed,6,3,P 4n -1n,86,Cu,No,N/A,PACMAN-DDEC6,10.16066247,0.901312347,0.030567812,1.022848416,0.059011642,1.079649421,0.066345404,0.001783371,0.377090306,178,SI,10.1039/C8CC10269D,2020,2020/1/12,RSC,All Solvent Removed,TRUE,297.2,0.32223344,0.93,weak,
322,2019[Ho][nan]3[ASR]1,c8ce00008e2_1_ASR_pacman,-,[La].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce00008e2_1_ASR_pacman,[C6La2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_1_ASR_pacman,5.92518,4.70219,5.92518,1.07981,1302.69,2341.91,2168.81,0,0,0,3503.26,0.6298,0.583249,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Ho,Yes,Ho,PACMAN-DDEC6,13.70133121,0.724970293,0.020980419,0.800360216,0.036761451,0.854428634,0.048901803,0.001294583,0.340148854,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,453,0.72784173,0.91,none,
323,2019[La][nan]3[ASR]1,c8ce00008e2_10_ASR_pacman,-,[Er].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce00008e2_10_ASR_pacman,[C6Er2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_10_ASR_pacman,6.36827,4.93975,6.36827,1.16272,1246.22,2270.04,1952.36,0,0,0,3446.52,0.6278,0.539943,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,La,Yes,La,PACMAN-DDEC6,14.56052909,0.677569183,0.019316541,0.737695483,0.037672321,0.793450466,0.04750926,0.001158813,0.330653888,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,476.9,0.8369567,0.71,none,
324,2019[Er][nan]3[ASR]1,c8ce00008e2_11_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Pr] MOFid-v1.unknown.cat0;c8ce00008e2_11_ASR_pacman,[C6O12Pr2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_11_ASR_pacman,6.03249,4.77547,6.02231,1.08763,1281.35,2309.99,2123.88,0,0,0,3494.61,0.63,0.579243,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Er,Yes,Er,PACMAN-DDEC6,13.76200333,0.720165247,0.020427024,0.785533794,0.038447963,0.841104175,0.049534716,0.001209389,0.35898149,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,437.7,0.7507888,0.87,none,
325,2019[Pr][nan]3[ASR]1,c8ce00008e2_12_ASR_pacman,-,"[Gd].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown,sql.cat0;c8ce00008e2_12_ASR_pacman","[C6Gd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,sql.cat0;c8ce00008e2_12_ASR_pacman",6.52949,4.89625,6.0606,1.11647,632.629,2260.15,2024.36,0,0,0,1761.73,0.6294,0.563739,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Pr,Yes,Pr,PACMAN-DDEC6,14.25722606,0.695320045,0.019146487,0.774355925,0.026190382,0.83613679,0.035511656,0.001408167,0.275745646,132,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,487,0.85689294,0.91,none,
326,2019[Gd][nan]3[ASR]1,c8ce00008e2_13_ASR_pacman,-,[Ho].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce00008e2_13_ASR_pacman,[C6Ho2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_13_ASR_pacman,6.37123,4.90916,6.37123,1.15112,1254.26,2272.92,1974.53,0,0,0,3501.89,0.6346,0.55129,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Gd,Yes,Gd,PACMAN-DDEC6,14.48996303,0.681792087,0.019884523,0.742379761,0.036871331,0.798231715,0.047411607,0.001164396,0.33326249,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,476.4,0.8297218,0.74,none,
327,2019[Eu][nan]3[ASR]3,c8ce00008e2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce00008e2_2_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_2_ASR_pacman,6.24436,4.87463,6.24436,1.11531,1272.03,2295.68,2058.32,0,0,0,3476.41,0.6274,0.562532,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,14.09704424,0.698382367,0.021435463,0.766873524,0.036624513,0.82246438,0.047619952,0.00124082,0.32828638,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,473.5,0.80079895,0.92,none,
328,2019[Sm][nan]3[ASR]2,c8ce00008e2_3_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Sm] MOFid-v1.unknown,sql.cat0;c8ce00008e2_3_ASR_pacman","[C6O12Sm2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,sql.cat0;c8ce00008e2_3_ASR_pacman",6.62817,4.99333,6.62817,1.08613,643.552,2269.93,2089.92,0,0,0,1799.73,0.6348,0.58446,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Sm,Yes,Sm,PACMAN-DDEC6,14.04843818,0.697866204,0.020180907,0.768492792,0.038667051,0.822944136,0.049193211,0.001250779,0.32532828,132,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,470.2,0.83332896,0.92,none,
329,2019[Ce][nan]3[ASR]1,c8ce00008e2_4_ASR_pacman,-,[Ce].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce00008e2_4_ASR_pacman,[C6Ce2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_4_ASR_pacman,6.00337,4.76533,6.00337,1.08396,1295.08,2330.94,2150.4,0,0,0,3504.76,0.6308,0.581942,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ce,Yes,Ce,PACMAN-DDEC6,13.73801394,0.722477071,0.020153509,0.789702664,0.037684563,0.848168639,0.048307221,0.001256916,0.346862305,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,465.8,0.74710083,0.83,none,
330,2019[Tb][nan]3[ASR]2,c8ce00008e2_5_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Tb] MOFid-v1.unknown.cat0;c8ce00008e2_5_ASR_pacman,[C6O12Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_5_ASR_pacman,5.97358,4.67804,5.97358,1.16947,1214.87,2265.1,1936.86,0,0,0,3260.97,0.608,0.519893,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Tb,Yes,Tb,PACMAN-DDEC6,14.30799424,0.690019281,0.018718565,0.770099106,0.026209552,0.834244138,0.034116934,0.001442249,0.260000507,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,467.8,0.77506393,0.92,none,
331,2019[Tb][nan]3[ASR]3,c8ce00008e2_6_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Tb] MOFid-v1.unknown.cat0;c8ce00008e2_6_ASR_pacman,[C6O12Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_6_ASR_pacman,5.81268,4.48764,5.81268,1.1567,1246.06,2297.86,1986.58,0,0,0,3342.55,0.6164,0.532897,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Tb,Yes,Tb,PACMAN-DDEC6,14.30799424,0.691830807,0.018232448,0.768149235,0.025097221,0.833236214,0.035043318,0.001414054,0.269486496,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,461.1,0.8062834,0.88,none,
332,2019[Nd][nan]3[ASR]1,c8ce00008e2_7_ASR_pacman,-,[Nd].[O-]C(=O)c1ccc(cc1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce00008e2_7_ASR_pacman,[C6Nd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_7_ASR_pacman,6.42297,4.95585,6.42249,1.09106,1275.04,2289.08,2098.04,0,0,0,3547.05,0.6368,0.583653,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Nd,Yes,Nd,PACMAN-DDEC6,13.86304424,0.713133012,0.021007405,0.779495506,0.037392817,0.837498623,0.048368406,0.001243656,0.341429408,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,441.2,0.75657284,0.86,none,
333,2019[Dy][nan]3[ASR]1,c8ce00008e2_8_ASR_pacman,-,unknown,[C6Dy2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_8_ASR_pacman,6.35964,4.91311,6.35964,1.14845,1251.88,2274.9,1980.85,0,0,0,3454.78,0.6278,0.546651,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Dy,Yes,Dy,PACMAN-DDEC6,14.41631697,0.685343933,0.01948747,0.749069748,0.036262263,0.803070744,0.047532259,0.001177268,0.333784302,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,476.9,0.8255036,0.83,none,
334,2019[La][nan]3[ASR]2,c8ce00008e2_9_ASR_pacman,-,unknown,[C6La2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce00008e2_9_ASR_pacman,5.81131,4.43098,5.81131,1.10281,1242.51,2281.3,2068.63,0,0,0,3353.97,0.6158,0.558393,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,La,Yes,La,PACMAN-DDEC6,13.70133121,0.729433142,0.019306383,0.817273975,0.026479432,0.880665054,0.03577011,0.001512319,0.279812366,264,SI,10.1039/C8CE00008E,2019,2019/3/2,RSC,All Solvent Removed,FALSE,452.3,0.75177133,0.91,none,
335,2019[Cu][rtl]3[ASR]1,c8ce00030a2_1_ASR_pacman,-,unknown,[C6Cu4H2N8O10_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;c8ce00030a2_1_ASR_pacman,6.40417,5.34406,6.38653,1.11521,498.183,2229.05,1998.77,0,0,0,1472.39,0.6588,0.590743,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,15.63516083,0.735714813,0.011914482,0.803986166,0.027021857,0.858102493,0.032056363,0.001223877,0.370910943,96,SI,10.1039/C8CE00030A,2019,2019/2/22,RSC,All Solvent Removed,FALSE,265.3,0.2997094,0.728226601,weak,
336,2019[Mn][fsc]3[ASR]1,c8ce00058a2_4_ASR_pacman,-,[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat0;c8ce00058a2_4_ASR_pacman,[C4Mn2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;c8ce00058a2_4_ASR_pacman,4.55427,3.42113,4.54771,1.29793,70.6687,644.861,496.837,0,0,0,479.335,0.4374,0.336997,0,0,0,3,fsc,unnamed,sqc27,unnamed,1,3,-P 1,2,Mn,No,N/A,PACMAN-DDEC6,10.19713488,0.921641828,0.030795248,1.028678296,0.066073951,1.079551385,0.075770265,0.001579096,0.457273713,84,SI,10.1039/C8CE00058A,2019,2019/2/12,RSC,All Solvent Removed,TRUE,349.9,0.90649784,0.565238095,strong,
337,2019[Cu][nan]3[ASR]1,c8ce00064f2_ASR_pacman,-,[Cu].[O-]C(=O)C.[O-]C(=O)c1ccc(cc1)n1cncc1.[OH] MOFid-v1.unknown.cat0;c8ce00064f2_ASR_pacman,unknown,5.63644,5.13832,5.63644,1.4695,111.544,688.27,468.372,0,0,0,748.738,0.462,0.314393,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,11.3823854,0.855555718,0.029402821,0.931404082,0.063266564,0.98163716,0.076855976,0.001260814,0.48158061,126,SI,10.1039/C8CE00064F,2019,2019/3/16,RSC,All Solvent Removed,TRUE,280.8,0.78952765,0.81,weak,
338,2019[Cd][dia]3[ASR]1,c8ce00213d2_1_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.dia.cat0;c8ce00213d2_1_ASR_pacman,[C4Cd1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;c8ce00213d2_1_ASR_pacman,5.64538,3.43129,5.64538,1.05613,582.233,1431.72,1355.63,0,0,0,2310.68,0.5682,0.538002,0,0,0,3,dia,unnamed,dia,unnamed,3,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,11.8644422,0.860514792,0.017563918,0.975067773,0.037276728,1.035592828,0.041764311,0.00175078,0.344285337,218,SI,10.1039/C8CE00213D,2019,2019/3/26,RSC,All Solvent Removed,TRUE,378.1,0.9082532,0.389411765,strong,
339,2019[Zr][csq]3[ASR]1,c8ce00455b2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.csq.cat0;c8ce00455b2_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq.cat0;c8ce00455b2_ASR_pacman,30.19427,28.66711,30.19427,0.457711,3439.55,1554.75,3396.8,0,0,0,18653.9,0.8432,1.84221,0,0,0,3,csq,unnamed,csq,unnamed,1,3,-P 6 2,191,Zr,Yes,Zr,PACMAN-DDEC6,12.54704049,0.761212342,0.031661049,0.839056974,0.052807481,0.898465212,0.058487321,0.001372529,0.352526464,486,SI,10.1039/C8CE00455B,2019,2019/5/4,RSC,All Solvent Removed,FALSE,468.1,0.94884896,0.94,none,
340,2019[Eu][nan]3[ASR]4,c8ce00476e2_1_ASR_pacman,-,unknown,[C12Eu6H4O28_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=O] MOFid-v2.ERROR.cat0;c8ce00476e2_1_ASR_pacman,6.21597,3.42309,6.2013,1.38038,745.964,902.33,653.68,0,0,0,4102.13,0.4962,0.359465,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,12.01441259,0.762219073,0.026143589,0.84715762,0.05373268,0.895406283,0.064819833,0.001331872,0.368772426,572,SI,10.1039/C8CE00476E,2019,2019/4/26,RSC,All Solvent Removed,FALSE,362.7,0.85888296,0.71,none,
341,2019[Tb][nan]3[ASR]4,c8ce00476e2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(cc(n1)c1ccc(cc1)C(=O)[O-])c1ccncc1.[Tb][OH]1[Tb][OH]2[Tb]1[OH]1[Tb]2[OH]([Tb]1)[Tb] MOFid-v1.ERROR.cat0;c8ce00476e2_2_ASR_pacman,unknown,6.30191,3.57459,6.27878,1.40117,769.305,933.23,666.038,0,0,0,3968.41,0.4814,0.343571,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Tb,Yes,Tb,PACMAN-DDEC6,12.1604549,0.752948481,0.025520511,0.83698094,0.053968439,0.882860321,0.064770432,0.001299118,0.36957181,572,SI,10.1039/C8CE00476E,2019,2019/4/26,RSC,All Solvent Removed,FALSE,383.8,0.750336,0.63,none,
342,2019[Cd][cem]2[ASR]1,c8ce00505b2_1_ASR_pacman,-,[Cd].[O-]C(=O)c1cccc(c1c1c(cccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].c1ccc(cn1)C1=NC(=[N]=C([N]1)c1cccnc1)c1cccnc1 MOFid-v1.unknown.cat0;c8ce00505b2_1_ASR_pacman,unknown,8.32557,5.01245,8.32557,1.21185,671.838,1419.73,1171.54,0,0,0,2604.57,0.5504,0.45418,0,0,0,2,cem,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,12.69653118,0.756313169,0.021274457,0.845457739,0.043430661,0.900930152,0.051135245,0.00144617,0.328074246,272,SI,10.1039/C8CE00505B,2019,2019/5/21,RSC,All Solvent Removed,FALSE,360,0.9600098,0.592,superstrong_high_loading,
343,2019[Cd][cem]2[ASR]2,c8ce00505b2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1cccc(c1c1c(cccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].c1ccc(cn1)C1=NC(=[N]=C([N]1)c1cccnc1)c1cccnc1 MOFid-v1.unknown.cat0;c8ce00505b2_2_ASR_pacman,unknown,7.34755,4.0707,7.34755,1.30533,528.614,1203.24,921.787,0,0,0,2302.95,0.5242,0.401584,0,0,0,2,cem,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,12.69653118,0.758451027,0.020698757,0.84583356,0.042988299,0.903792041,0.051305161,0.00145341,0.327331993,272,SI,10.1039/C8CE00505B,2019,2019/5/21,RSC,All Solvent Removed,FALSE,378.1,0.96152925,0.602,superstrong_high_loading,
344,2019[Cd][cru]2[ASR]1,c8ce00505b2_3_ASR_pacman,-,[Cd].[O-]C(=O)c1cccc(c1c1c(cccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].c1ccc(cn1)C1=NC(=[N]=C([N]1)c1cccnc1)c1cccnc1 MOFid-v1.unknown.cat0;c8ce00505b2_3_ASR_pacman,unknown,5.68584,4.20744,5.68438,1.18259,872.933,1800.15,1522.2,0,0,0,2754.36,0.568,0.480301,0,0,0,2,cru,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,12.69653118,0.756190186,0.021811499,0.841491389,0.042320035,0.900776901,0.051584818,0.001445867,0.326765991,272,SI,10.1039/C8CE00505B,2019,2019/5/21,RSC,All Solvent Removed,FALSE,350.5,0.96325564,0.592,superstrong_high_loading,
345,2019[Zn][nan]3[ASR]3,c8ce00564h2_ASR_pacman,-,unknown,[Zn1_Type-1].[N][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=N][C][=N][CH0][Ring1][Branch1][C][=N][N][=N][NH0][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;c8ce00564h2_ASR_pacman,4.74523,2.60819,4.74283,1.95175,0,0,0,71.8727,176.454,90.4081,1713.18,0.4206,0.215499,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 4c 2ab,135,Zn,Yes,Zn,PACMAN-DDEC6,17.09705371,0.677140707,0.011236367,0.749667138,0.011847822,0.81000483,0.014918615,0.001328641,0.280579792,280,SI,10.1039/C8CE00564H,2019,2019/5/11,RSC,All Solvent Removed,FALSE,395.2,0.9110666,0.54,weak,
346,2019[Zn][snz]3[ASR]1,c8ce00574e2_1_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)CNCc1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.ERROR,nbo.cat0;c8ce00574e2_1_ASR_pacman","[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR,nbo.cat0;c8ce00574e2_1_ASR_pacman",15.28978,13.75598,15.28978,0.693667,925.966,1848.96,2665.49,0,0,0,3608.79,0.7206,1.03883,0,0,0,3,snz,unnamed,snz,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,9.961677714,0.892912977,0.044559536,0.987953053,0.077356747,1.042082227,0.078782086,0.001491692,0.452223713,210,SI,10.1039/C8CE00574E,2019,2019/5/17,RSC,All Solvent Removed,TRUE,330.7,0.87678444,0.537661538,weak,
347,2019[Zn][dia]3[ASR]2,c8ce00673c2_ASR_pacman,-,unknown,"[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR,bex.cat1;c8ce00673c2_ASR_pacman",4.22949,3.16585,4.20483,1.37884,0,0,0,48.3474,435.641,315.948,463.23,0.4174,0.302719,0,0,0,3,dia,unnamed,tfa,unnamed,2,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,10.47152318,0.888122227,0.030140542,1.004130196,0.063615439,1.054233884,0.073347003,0.001661117,0.400771302,88,SI,10.1039/C8CE00673C,2019,2019/6/22,RSC,All Solvent Removed,FALSE,404.4,0.4778852,0.81,weak,
348,2019[Zn][pts]3[ASR]2,c8ce00694f2_1_ASR_pacman,-,"[O-]C(=O)c1cncc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.pts,tfi.cat0;c8ce00694f2_1_ASR_pacman","[C2O4Zn1_Type-1].[C3O6Zn1_Type-1].[C4O8Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.pts,tfi.cat0;c8ce00694f2_1_ASR_pacman",6.77542,5.74655,6.77542,0.904611,1162.04,2263.51,2502.19,0,0,0,3403.72,0.663,0.732912,0,0,0,3,pts,unnamed,tfi,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,12.48501929,0.837836007,0.018188108,0.952788509,0.031323399,1.000385567,0.039910183,0.001625496,0.361413233,224,SI,10.1039/C8CE00694F,2019,2019/7/24,RSC,All Solvent Removed,TRUE,347.8,0.55782217,0.773571429,weak,
349,2019[Cd][pts]3[ASR]1,c8ce00694f2_2_ASR_pacman,-,"[Cd].[O-]C(=O)c1cncc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.pts,tfi.cat0;c8ce00694f2_2_ASR_pacman","[C2Cd1O4_Type-1].[C3Cd1O6_Type-1].[C4Cd1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.pts,tfi.cat0;c8ce00694f2_2_ASR_pacman",7.05077,6.2187,6.92901,0.984578,1270.8,2374.77,2411.97,0,0,0,3602.48,0.6732,0.683745,0,0,0,3,pts,unnamed,tfi,unnamed,1,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,14.16469786,0.741449134,0.015027351,0.836329625,0.026802493,0.891472991,0.034976782,0.001500239,0.298000422,224,SI,10.1039/C8CE00694F,2019,2019/7/24,RSC,All Solvent Removed,TRUE,327.2,0.68355364,0.55,weak,
350,2019[Zn][fsc]3[ASR]1,c8ce00744f2_3_ASR_pacman,-,[O-]C(=O)CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CC(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.unknown.cat0;c8ce00744f2_3_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c8ce00744f2_3_ASR_pacman,5.50326,4.37361,5.49957,1.30104,160.606,1002.06,770.202,0,0,0,717.717,0.4478,0.344187,0,0,0,3,fsc,unnamed,sqc27,unnamed,1,2,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,10.29288393,0.915891742,0.02580481,1.041304221,0.038888533,1.112371974,0.050575314,0.001964802,0.335508503,122,SI,10.1039/C8CE00744F,2019,2019/6/21,RSC,All Solvent Removed,TRUE,291.4,0.27582872,0.710508812,weak,
351,2019[Cu][sql]2[ASR]2,c8ce00744f2_6_ASR_pacman,-,[Cu].[O-]C(=O)CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CC(=O)[O-].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.sql.cat1;c8ce00744f2_6_ASR_pacman,[C4Cu2O8_Type-2].[O-1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c8ce00744f2_6_ASR_pacman,4.92734,3.30383,4.84517,1.35179,0,0,0,83.3782,542.103,401.025,645.981,0.42,0.310698,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Cu,Yes,Cu,PACMAN-DDEC6,10.26281836,0.913722916,0.026805857,1.040088619,0.039063798,1.106539619,0.049270691,0.001928167,0.345258589,122,SI,10.1039/C8CE00744F,2019,2019/6/21,RSC,All Solvent Removed,TRUE,242.2,0.18757796,0.834282801,strong,
352,2019[Zr][scu]3[ASR]1,c8ce00779a2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1cc(C#Cc2ccc(cc2)C(=O)[O-])c(cc1C#Cc1ccc(cc1)C(=O)[O-])C#Cc1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.scu.cat1;c8ce00779a2_1_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][Branch2][Ring1][C][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][P][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu.cat1;c8ce00779a2_1_ASR_pacman,9.619,8.95222,9.619,0.888944,1536.99,2081.44,2341.47,0,0,0,4910.55,0.665,0.748079,4.43057,0.0006,0.000674958,3,scu,unnamed,scu,unnamed,2,3,-C 2c 2,63,Zr,Yes,Zr,PACMAN-DDEC6,13.1767616,0.798893772,0.023645758,0.862543816,0.03827721,0.929811451,0.053067739,0.001309177,0.405537805,300,SI,10.1039/C8CE00779A,2019,2019/6/20,RSC,All Solvent Removed,FALSE,415.8,0.81290364,0.96,unknown,
353,2019[Cd][nan]3[ASR]4,c8ce00877a2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccc(cc1C(=O)[O-])C(=O)[O-].c1ncn(c1)Cc1ccc(cc1)Cn1cncc1 MOFid-v1.ERROR.cat0;c8ce00877a2_2_ASR_pacman,[C5Cd2O10_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;c8ce00877a2_2_ASR_pacman,4.80079,3.30608,4.80079,1.50984,0,0,0,119.406,597.568,395.782,895.594,0.4482,0.296852,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.95291211,0.796234915,0.024481681,0.883296648,0.050340787,0.941186512,0.059511782,0.001449516,0.366242102,152,SI,10.1039/C8CE00877A,2019,2019/7/11,RSC,All Solvent Removed,FALSE,348.8,0.92737925,0.672,strong,
354,2019[Cu][kgd]2[ASR]1,c8ce01003j2_4_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1cncc(c1)Oc1ccc(c(c1)C(=O)[O-])C(=O)O MOFid-v1.kgd,sql.cat0;c8ce01003j2_4_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O] MOFid-v2.kgd,sql.cat0;c8ce01003j2_4_ASR_pacman",5.49534,3.34203,5.46995,1.23935,220.446,1127.68,909.895,0,0,0,1031.78,0.5278,0.425868,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,12.15846267,0.855520701,0.020275797,0.959643665,0.045196948,1.012148474,0.049995519,0.001566278,0.394240415,120,SI,10.1039/C8CE01003J,2019,2019/9/4,RSC,All Solvent Removed,FALSE,395.6,0.34790635,0.699983581,weak,
355,2019[Nd][flu]3[ASR]1,c8ce01015c2_22_ASR_pacman,-,unknown,unknown,7.19713,5.66467,7.19713,1.0797,255.521,1240.24,1148.69,12.4632,60.4934,56.0279,1150.86,0.5586,0.517366,0,0,0,3,flu,unnamed,flt,unnamed,1,3,-P 1,2,Nd,No,N/A,PACMAN-DDEC6,9.996923582,0.870087284,0.040320663,0.959918331,0.066580131,1.049333862,0.055758692,0.001792466,0.332416805,134,SI,10.1039/C8CE01015C,2019,2019/2/18,RSC,All Solvent Removed,FALSE,357.1,0.55453026,0.94,superstrong_high_loading,
356,2019[Co][hex]3[ASR]2,c8ce01118d2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].c1nc(cc(n1)n1cncc1)n1cncc1 MOFid-v1.hex.cat0;c8ce01118d2_ASR_pacman,[C6Co3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][=N][C][=Branch1][#C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.hex.cat0;c8ce01118d2_ASR_pacman,6.91333,5.90513,6.91333,0.838175,1564.68,2240.25,2672.77,0,0,0,4682.34,0.6704,0.799833,0,0,0,3,hex,unnamed,hex,unnamed,1,3,-P 2ac 2n,62,Co,Yes,Co,PACMAN-DDEC6,11.75140247,0.856783652,0.025124525,0.963605899,0.03517091,1.025788612,0.050148185,0.00169005,0.357208694,300,SI,10.1039/C8CE01118D,2019,2019/8/4,RSC,All Solvent Removed,FALSE,374.8,0.9182273,0.428571429,weak,
357,2020[Dy][nan]3[ASR]1,c8ce01242c2_1_ASR_pacman,-,[Dy].[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8ce01242c2_1_ASR_pacman,[Dy1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_1_ASR_pacman,3.73369,2.82471,3.73369,1.68514,0,0,0,27.8492,62.2105,36.9171,1800.49,0.4022,0.238675,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Dy,Yes,Dy,PACMAN-DDEC6,12.34478913,0.757160831,0.027232393,0.838868217,0.054633599,0.885678058,0.063763095,0.001285172,0.377425408,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,318.4,0.9140167,0.67,none,
358,2020[Eu][nan]3[ASR]1,c8ce01242c2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8ce01242c2_2_ASR_pacman,[Eu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_2_ASR_pacman,3.68928,2.98786,3.68625,1.65352,0,0,0,36.1475,80.7301,48.8232,1801.77,0.4024,0.24336,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Eu,Yes,Eu,PACMAN-DDEC6,12.11574565,0.773541086,0.02757824,0.854426005,0.05427888,0.907428132,0.064581228,0.00133887,0.376527077,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,345.6,0.9122597,0.71,none,
359,2020[Gd][nan]3[ASR]1,c8ce01242c2_3_ASR_pacman,-,[Gd].[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8ce01242c2_3_ASR_pacman,[Gd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_3_ASR_pacman,3.70895,3.01422,3.70895,1.66716,0,0,0,40.4977,90.3353,54.185,1770.8,0.395,0.236929,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Gd,Yes,Gd,PACMAN-DDEC6,12.2306587,0.766363837,0.027384495,0.850619484,0.054956813,0.899597585,0.063360204,0.001332337,0.372542182,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,343.2,0.9100851,0.72,none,
360,2020[Sm][nan]3[ASR]1,c8ce01242c2_4_ASR_pacman,-,[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-].[Sm] MOFid-v1.ERROR.cat0;c8ce01242c2_4_ASR_pacman,[Sm1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_4_ASR_pacman,3.72178,2.99213,3.72178,1.62431,0,0,0,32.2121,70.8741,43.6335,1891.62,0.4162,0.256233,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Sm,Yes,Sm,PACMAN-DDEC6,12.08087609,0.779899955,0.027556155,0.860615457,0.055810183,0.908978219,0.065336236,0.001290783,0.398057288,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,378,0.9025614,0.69,none,
361,2020[Yb][nan]3[ASR]1,c8ce01242c2_5_ASR_pacman,-,[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-].[Yb] MOFid-v1.ERROR.cat0;c8ce01242c2_5_ASR_pacman,[Yb1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_5_ASR_pacman,3.68514,2.8452,3.68514,1.75432,0,0,0,24.0346,54.8749,31.2798,1693.26,0.3866,0.22037,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Yb,Yes,Yb,PACMAN-DDEC6,12.57422391,0.741073307,0.026998721,0.818626411,0.054366552,0.864298638,0.06197626,0.001232253,0.376710792,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,320.2,0.9008635,0.59,none,
362,2020[Er][nan]3[ASR]1,c8ce01242c2_6_ASR_pacman,-,[Er].[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8ce01242c2_6_ASR_pacman,[Er1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_6_ASR_pacman,3.76328,3.01033,3.75796,1.68864,0,0,0,38.8883,86.3267,51.1221,1801.01,0.3998,0.236759,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Er,Yes,Er,PACMAN-DDEC6,12.44824565,0.756106237,0.026712954,0.838612734,0.053820134,0.885020255,0.062819158,0.00128914,0.37538068,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,302,0.9148395,0.6,none,
363,2020[Tb][nan]3[ASR]1,c8ce01242c2_7_ASR_pacman,-,[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-].[Tb] MOFid-v1.ERROR.cat0;c8ce01242c2_7_ASR_pacman,[Tb1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_7_ASR_pacman,3.74664,2.97877,3.69638,1.67209,0,0,0,33.1814,74.0135,44.2642,1823.75,0.4068,0.243289,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Tb,Yes,Tb,PACMAN-DDEC6,12.26707935,0.76346303,0.02787109,0.842595732,0.05537733,0.890571729,0.064497644,0.001271087,0.387329713,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,342.7,0.9105256,0.71,none,
364,2020[Ho][nan]3[ASR]1,c8ce01242c2_8_ASR_pacman,-,[Ho].[O-]C(=O)c1cc(NCc2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8ce01242c2_8_ASR_pacman,[Ho1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01242c2_8_ASR_pacman,3.73924,3.02928,3.73924,1.68858,0,0,0,42.8399,95.4842,56.5469,1788.36,0.3986,0.236056,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w,76,Ho,Yes,Ho,PACMAN-DDEC6,12.39762217,0.755795481,0.027573279,0.835249013,0.053552193,0.883238426,0.062747315,0.001274429,0.378710665,368,SI,10.1039/C8CE01242C,2020,2020/2/11,RSC,All Solvent Removed,FALSE,309.4,0.9144392,0.64,none,
365,2019[Co][hcb]2[ASR]1,c8ce01324a2_ASR_pacman,-,unknown,unknown,6.5487,6.36755,6.54198,0.961571,245.273,1459.97,1518.32,0,0,0,930.712,0.554,0.576141,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,9.17748217,0.925458823,0.047985317,1.017483756,0.089532799,1.071746306,0.095287808,0.001462875,0.492890102,106,SI,10.1039/C8CE01324A,2019,2019/10/2,RSC,All Solvent Removed,FALSE,337.1,0.897768,0.75,strong,
366,2019[Co][nan]3[ASR]4,c8ce01421c2_1_ASR_pacman,-,unknown,"[C6Co3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.UNKNOWN,pcu.cat1;c8ce01421c2_1_ASR_pacman",9.07824,5.11386,9.07824,1.03663,517.851,941.802,908.522,194.106,353.015,340.541,2999.99,0.5456,0.52632,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,9.696417542,0.919612661,0.03918957,1.05245112,0.058052465,1.113757108,0.07646428,0.001941444,0.349101399,354,SI,10.1039/C8CE01421C,2019,2019/10/22,RSC,All Solvent Removed,TRUE,400.8,0.91138744,0.858,weak,
367,2019[Sm][sqc]3[ASR]1,c8ce01430b2_1_ASR_pacman,-,[O-]C(=O)C=CC(=O)[O-].[Sm] MOFid-v1.ERROR.cat0;c8ce01430b2_1_ASR_pacman,[Sm2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01430b2_1_ASR_pacman,5.24348,4.37673,5.23973,1.59006,116.769,1739.23,1093.81,0,0,0,384.3,0.5724,0.359986,0,0,0,3,sqc703,unnamed,sqc1099,unnamed,1,3,-P 1,2,Sm,Yes,Sm,PACMAN-DDEC6,20.09027625,0.594600379,0.011266071,0.630896714,0.021769519,0.679246775,0.025602492,0.000846464,0.338652237,32,SI,10.1039/C8CE01430B,2019,2019/9/26,RSC,All Solvent Removed,FALSE,316.1,0.7266374,0.698888889,none,
368,2019[Tb][sqc]3[ASR]1,c8ce01430b2_7_ASR_pacman,-,[O-]C(=O)C=CC(=O)[O-].[Tb] MOFid-v1.ERROR.cat0;c8ce01430b2_7_ASR_pacman,[Tb1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01430b2_7_ASR_pacman,5.32073,4.35505,5.32073,1.63759,115.977,1732.9,1058.2,0,0,0,384.292,0.5742,0.350636,0,0,0,3,sqc703,unnamed,sqc1099,unnamed,1,3,-P 1,2,Tb,Yes,Tb,PACMAN-DDEC6,20.62561063,0.567795035,0.011728422,0.611070902,0.021244851,0.652332845,0.026278409,0.000845378,0.314517259,32,SI,10.1039/C8CE01430B,2019,2019/9/26,RSC,All Solvent Removed,FALSE,353,0.6947034,0.828888889,none,
369,2019[Cd][kgd]2[ASR]2,c8ce01524d2_ASR_pacman,-,"[Cd].[O-]C(=O)c1cc(OCc2ccncc2)cc(c1)C(=O)[O-] MOFid-v1.kgd,unknown.cat0;c8ce01524d2_ASR_pacman","[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1] MOFid-v2.kgd,UNKNOWN.cat0;c8ce01524d2_ASR_pacman",4.62065,3.00983,4.62065,1.52516,0,0,0,52.1473,624.23,409.289,380.769,0.4558,0.298854,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,12.78786533,0.760935667,0.021976855,0.848490213,0.049542155,0.889872431,0.05387523,0.001289368,0.381820762,60,SI,10.1039/C8CE01524D,2019,2019/12/27,RSC,All Solvent Removed,FALSE,396.8,0.9201709,0.469558824,strong,
370,2019[Gd][nan]3[ASR]2,c8ce01762j2_6_ASR_pacman,-,O=N(=O)c1cc(ccc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-].O[Gd] MOFid-v1.unknown.cat0;c8ce01762j2_6_ASR_pacman,unknown,5.85143,4.17377,5.84965,1.37849,625.736,1292.25,937.439,0,0,0,2720.36,0.5618,0.407547,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2n 2ab,60,Gd,Yes,Gd,PACMAN-DDEC6,15.22628424,0.702881729,0.016528275,0.781321437,0.034061281,0.823923011,0.034809529,0.001210413,0.345730904,264,SI,10.1039/C8CE01762J,2019,2019/11/21,RSC,All Solvent Removed,FALSE,387,0.7074788,0.62,none,
371,2019[Co][hxl]2[ASR]1,c8ce01808a2_2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;c8ce01808a2_2_ASR_pacman,[C6Co3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;c8ce01808a2_2_ASR_pacman,5.63295,4.71185,5.60435,0.895584,703.713,2114.55,2361.08,0,0,0,2099.28,0.6308,0.704344,0,0,0,2,hxl,unnamed,hxl,unnamed,2,3,P -2yc,7,Co,Yes,Co,PACMAN-DDEC6,11.07941167,0.863833383,0.029228494,0.983271284,0.045178471,1.033504182,0.065213842,0.001696708,0.36635515,162,SI,10.1039/C8CE01808A,2019,2019/12/12,RSC,All Solvent Removed,FALSE,360.1,0.659242,0.56625,strong,
372,2019[Pb][nan]2[ASR]1,c8ce01868e2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Pb] MOFid-v1.ERROR.cat0;c8ce01868e2_2_ASR_pacman,[C8O16Pb4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8ce01868e2_2_ASR_pacman,4.65844,3.66349,4.60566,1.93177,77.7884,466.041,241.25,8.88953,53.2584,27.5697,730.413,0.4376,0.226528,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Pb,Yes,Pb,PACMAN-DDEC6,16.18130067,0.582134612,0.017820378,0.656835328,0.036349142,0.6967839,0.041951983,0.001146493,0.243978774,120,SI,10.1039/C8CE01868E,2019,2019/11/21,RSC,All Solvent Removed,TRUE,369.7,0.83409476,0.569411765,weak,
373,2019[Ce][scu]3[ASR]1,c8ce01868e2_3_ASR_pacman,-,[Ce].[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)O)c(nc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.scu.cat0;c8ce01868e2_3_ASR_pacman,[C8Ce2H2O16_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu.cat0;c8ce01868e2_3_ASR_pacman,4.76524,3.42014,4.45473,1.44395,40.4437,252.064,174.566,42.3136,263.719,182.637,709.509,0.4422,0.306243,0,0,0,3,scu,unnamed,scu,unnamed,1,3,-P 1,2,Ce,Yes,Ce,PACMAN-DDEC6,11.62669967,0.809401778,0.024930548,0.905715,0.051278981,0.956343009,0.061112069,0.001469412,0.376192285,120,SI,10.1039/C8CE01868E,2019,2019/11/21,RSC,All Solvent Removed,FALSE,320.9,0.9260974,0.86,superstrong_high_loading,
374,2019[La][scu]3[ASR]1,c8ce01868e2_5_ASR_pacman,-,[La].[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)O)c(nc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.scu.cat0;c8ce01868e2_5_ASR_pacman,[C8H2La2O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu.cat0;c8ce01868e2_5_ASR_pacman,4.77475,3.38214,4.77475,1.445,38.2176,238.777,165.244,40.5896,253.597,175.5,706.164,0.4412,0.305329,0,0,0,3,scu,unnamed,scu,unnamed,1,3,-P 1,2,La,Yes,La,PACMAN-DDEC6,11.60652417,0.81188201,0.02530328,0.908194078,0.051466898,0.957431743,0.061124514,0.001455497,0.383078547,120,SI,10.1039/C8CE01868E,2019,2019/11/21,RSC,All Solvent Removed,FALSE,321,0.9167644,0.81,superstrong_high_loading,
375,2019[Eu][bnn]3[ASR]1,c8ce01875h2_1_ASR_pacman,-,O=C1c2cc(ccc2-c2c1cc(cc2)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Eu] MOFid-v1.kgd.cat0;c8ce01875h2_1_ASR_pacman,[C8Eu2O16_Type-1].[O][=C][C][=C][C][=Branch2][Ring2][Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;c8ce01875h2_1_ASR_pacman,5.55831,3.99162,5.52732,1.33728,424.831,1303.11,974.446,0,0,0,1682.88,0.5162,0.386008,0,0,0,3,bnn,unnamed,unnamed,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,12.86988588,0.757397874,0.017048844,0.863159655,0.0305921,0.911435963,0.042740499,0.001540381,0.304864521,204,SI,10.1039/C8CE01875H,2019,2019/11/27,RSC,All Solvent Removed,FALSE,383.6,0.8277502,0.82,none,
376,2019[Tb][bnn]3[ASR]1,c8ce01875h2_2_ASR_pacman,-,O=C1c2cc(ccc2-c2c1cc(cc2)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Tb] MOFid-v1.kgd.cat0;c8ce01875h2_2_ASR_pacman,[C8O16Tb2_Type-1].[O][=C][C][=C][C][=Branch2][Ring2][Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;c8ce01875h2_2_ASR_pacman,5.37255,3.53538,5.28365,1.38303,402.694,1264.06,913.979,0,0,0,1569.28,0.4926,0.356174,0,0,0,3,bnn,unnamed,unnamed,unnamed,1,3,-P 1,2,Tb,Yes,Tb,PACMAN-DDEC6,13.00638294,0.747974652,0.016974203,0.853510523,0.030717546,0.903181266,0.042857931,0.001552066,0.291665663,204,SI,10.1039/C8CE01875H,2019,2019/11/27,RSC,All Solvent Removed,FALSE,367.3,0.81493515,0.77,none,
377,2019[Dy][bnn]3[ASR]1,c8ce01875h2_3_ASR_pacman,-,unknown,[C8Dy2O16_Type-1].[O][=C][C][=C][C][=Branch2][Ring2][Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;c8ce01875h2_3_ASR_pacman,5.35684,3.53187,5.11398,1.39151,407.246,1279.29,919.355,0,0,0,1596.78,0.5016,0.360473,0,0,0,3,bnn,unnamed,unnamed,unnamed,1,3,-P 1,2,Dy,Yes,Dy,PACMAN-DDEC6,13.07647412,0.7451461,0.016720467,0.84901869,0.030479004,0.898876823,0.042410501,0.001537307,0.292956342,204,SI,10.1039/C8CE01875H,2019,2019/11/27,RSC,All Solvent Removed,FALSE,385.1,0.8856449,0.7,none,
378,2019[Gd][bnn]3[ASR]1,c8ce01875h2_4_ASR_pacman,-,O=C1c2cc(ccc2-c2c1cc(cc2)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Gd] MOFid-v1.kgd.cat0;c8ce01875h2_4_ASR_pacman,[C8Gd2O16_Type-1].[O][=C][C][=C][C][=Branch2][Ring2][Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;c8ce01875h2_4_ASR_pacman,5.37591,3.59599,5.37482,1.37105,410.251,1279.86,933.487,0,0,0,1588.61,0.4956,0.361474,0,0,0,3,bnn,unnamed,unnamed,unnamed,1,3,-P 1,2,Gd,Yes,Gd,PACMAN-DDEC6,12.97353294,0.751401529,0.016876694,0.856027895,0.03123822,0.904542469,0.043664108,0.001531409,0.301330676,204,SI,10.1039/C8CE01875H,2019,2019/11/27,RSC,All Solvent Removed,FALSE,372.4,0.8058342,0.78,none,
379,2019[Cd][sql]2[ASR]2,c8ce01925h2_ASR_pacman,-,unknown,[C4Cd2O8_Type-2].[O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c8ce01925h2_ASR_pacman,4.76059,3.60611,4.76025,1.42845,73.1722,529.073,370.382,0,0,0,594.979,0.4302,0.301166,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,10.81555127,0.848365643,0.030569478,0.942724376,0.064930684,0.99717688,0.074278919,0.001488112,0.408582971,110,SI,10.1039/C8CE01925H,2019,2019/12/3,RSC,All Solvent Removed,FALSE,363.1,0.8516562,0.747104278,weak,
380,2019[Co][crs]3[ASR]1,c8ce01942h2_ASR_pacman,-,NC1=NC(=[N]=C([N]1)N)c1ccncc1.NC1=[N]=C(N)N=C([N]1)c1ccncc1.[Co][Co].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.crs.cat2;c8ce01942h2_ASR_pacman,unknown,9.82648,4.70794,9.8113,0.984461,2413.43,1456.77,1479.77,152.592,92.1063,93.5601,9854.04,0.5948,0.604189,0,0,0,3,crs,unnamed,crs,unnamed,3,3,F 2 -2d,43,Co,No,N/A,PACMAN-DDEC6,10.49328654,0.897651073,0.029975689,1.00008201,0.055927149,1.060309862,0.07360741,0.001626588,0.416708552,936,SI,10.1039/C8CE01942H,2019,2019/12/17,RSC,All Solvent Removed,TRUE,399,0.9408227,0.868226601,unknown,
381,2020[Co][nan]3[ASR]2,c8ce02151a2_1_ASR_pacman,-,[Co][OH]1[Co][OH2][Co]21[OH2][Co][OH]2[Co].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2Cc1ccc(cc1)Cn1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce02151a2_1_ASR_pacman,[C8Co5H6O20_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce02151a2_1_ASR_pacman,5.35519,4.50996,5.35519,1.18156,659.869,1484.13,1256.08,0,0,0,2247.98,0.5056,0.42791,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,10.76065588,0.883377123,0.027449538,0.999281594,0.040522778,1.053250227,0.057362371,0.001698731,0.384080444,294,SI,10.1039/C8CE02151A,2020,2020/2/5,RSC,All Solvent Removed,FALSE,337,0.8901393,0.67,superstrong_high_loading,
382,2020[Co][nan]2[ASR]1,c8ce02151a2_2_ASR_pacman,-,C(Cc1ccncc1)Cc1ccncc1.[Co].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2Cc1ccc(cc1)Cn1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ce02151a2_2_ASR_pacman,[C4Co2O8_Type-2].[C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ce02151a2_2_ASR_pacman,5.31366,3.51306,5.22613,1.18543,225.604,717.098,604.925,0,0,0,1471.73,0.4678,0.394624,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,P 2yb,4,Co,No,N/A,PACMAN-DDEC6,8.912272302,0.967198291,0.048779723,1.064507021,0.087534004,1.120472231,0.092095949,0.001532739,0.514267056,252,SI,10.1039/C8CE02151A,2020,2020/2/5,RSC,All Solvent Removed,FALSE,325.3,0.37951702,0.843076923,strong,
383,2020[Co][fsc]3[ASR]2,c8ce02151a2_3_ASR_pacman,-,unknown,[C4Co2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c8ce02151a2_3_ASR_pacman,6.02273,3.21078,5.26405,1.17078,0,0,0,237.895,765.952,654.224,1478.39,0.476,0.406566,0,0,0,3,fsc,unnamed,sqc27,unnamed,2,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,9.124109583,0.952235451,0.045030212,1.056423181,0.083360747,1.109137665,0.090371039,0.001569022,0.490107678,240,SI,10.1039/C8CE02151A,2020,2020/2/5,RSC,All Solvent Removed,TRUE,325.1,0.42508608,0.863076923,strong,
384,2019[Er][hcb]2[ASR]1,c8dt00143j2_1_ASR_pacman,-,Cl[C]1C(=O)C(=O)[C](C(=O)C1=O)Cl.[Er] MOFid-v1.hcb.cat0;c8dt00143j2_1_ASR_pacman,[Er1_Type-1].[Cl][CH0][C][=Branch1][C][=O][C][=Branch1][C][=O][CH0][Branch1][=Branch2][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][Cl] MOFid-v2.hcb.cat0;c8dt00143j2_1_ASR_pacman,5.28005,3.47451,5.28005,1.69558,101.907,1089.12,642.333,0,0,0,506.391,0.5412,0.319184,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 1,2,Er,No,N/A,PACMAN-DDEC6,25.14266842,0.558343613,0.008639579,0.5937454,0.01036709,0.638719544,0.013449024,0.000803759,0.315620425,38,SI,10.1039/C8DT00143J,2019,2019/4/16,RSC,All Solvent Removed,FALSE,312.6,0.9581826,0.47,none,
385,2019[Er][hcb]2[ASR]2,c8dt00143j2_4_ASR_pacman,-,Cl[C]1C(=O)C(=O)[C](C(=O)C1=O)Cl.[Er] MOFid-v1.hcb.cat1;c8dt00143j2_4_ASR_pacman,[Er1_Type-1].[Cl][CH0][C][=Branch1][C][=O][C][=Branch1][C][=O][CH0][Branch1][=Branch2][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][Cl] MOFid-v2.hcb.cat1;c8dt00143j2_4_ASR_pacman,5.63408,3.90895,5.6322,1.34705,433.513,1840.4,1366.24,0,0,0,1496.71,0.6354,0.471696,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Er,Yes,Er,PACMAN-DDEC6,25.14266842,0.561838165,0.011242433,0.591270372,0.009682342,0.636044051,0.014352678,0.000742059,0.336663595,76,SI,10.1039/C8DT00143J,2019,2019/4/16,RSC,All Solvent Removed,FALSE,303.4,0.9480673,0.56,none,
386,2019[Er][hcb]2[ASR]3,c8dt00143j2_6_ASR_pacman,-,Cl[C]1C(=O)C(=O)[C](C(=O)C1=O)Cl.[Er] MOFid-v1.hcb.cat0;c8dt00143j2_6_ASR_pacman,[Er1_Type-1].[Cl][CH0][C][=Branch1][C][=O][C][=Branch1][C][=O][CH0][Branch1][=Branch2][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][Cl] MOFid-v2.hcb.cat0;c8dt00143j2_6_ASR_pacman,5.26289,4.14433,5.26289,1.29893,275.924,2259.07,1739.18,0,0,0,786.585,0.644,0.495793,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 1,2,Er,Yes,Er,PACMAN-DDEC6,25.14266842,0.571049143,0.013250186,0.601180565,0.01179938,0.647420348,0.016496642,0.000763712,0.339250806,38,SI,10.1039/C8DT00143J,2019,2019/4/16,RSC,All Solvent Removed,FALSE,315.6,0.95266414,0.57,none,
387,2019[Ni][hcb]2[ASR]1,c8dt00206a2_1_ASR_pacman,-,unknown,unknown,7.26622,6.52759,7.07921,0.939898,221.769,1249.74,1329.65,0,0,0,1012.54,0.5706,0.607087,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,C 2y,5,Ni,Yes,Ni,PACMAN-DDEC6,8.967784643,0.924225683,0.049014304,1.025435034,0.091900004,1.086202821,0.101724688,0.001619771,0.445034531,112,SI,10.1039/C8DT00206A,2019,2019/1/31,RSC,All Solvent Removed,FALSE,340.9,0.4496784,0.74,weak,
388,2019[Cd][kgd]2[ASR]3,c8dt00206a2_2_ASR_pacman,-,unknown,unknown,6.85714,3.82432,6.85714,0.973127,273.038,1600.98,1645.19,0,0,0,986.766,0.5786,0.594578,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-R 3,148,Cd,No,N/A,PACMAN-DDEC6,9.003748468,0.901606958,0.051920394,0.989406311,0.098100099,1.052973863,0.096233185,0.001513669,0.451544873,111,SI,10.1039/C8DT00206A,2019,2019/1/31,RSC,All Solvent Removed,TRUE,388.8,0.8613046,0.81,weak,
389,2019[Co][nan]2[ASR]1,c8dt00296g2_ASR_pacman,-,[Co][OH2][Co].[O-]C(=O)c1cc(c2ccc(cc2)C(=O)[O-])c(cc1C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.unknown.cat0;c8dt00296g2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][#C][C][=Branch1][C][=O][O-1][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c8dt00296g2_ASR_pacman,5.35697,2.97763,5.35234,1.2779,0,0,0,113.404,692.288,541.74,782.686,0.4778,0.373896,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,10.86741741,0.878647138,0.029983578,0.980353964,0.058017985,1.033287379,0.068823618,0.001546402,0.422855314,116,SI,10.1039/C8DT00296G,2019,2019/2/7,RSC,All Solvent Removed,FALSE,322.9,0.17415193,0.541648352,strong,
390,2019[Zn][bcg]3[ASR]1,c8dt00352a2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.bcg.cat0;c8dt00352a2_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.bcg.cat0;c8dt00352a2_ASR_pacman,7.20343,5.1239,7.20151,0.967943,608.995,2081.72,2150.66,0,0,0,1885.16,0.6444,0.665741,0,0,0,3,bcg,unnamed,bcg,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,12.72537075,0.815477227,0.021306967,0.914163483,0.040236462,0.966428979,0.054488769,0.001509518,0.370358763,134,SI,10.1039/C8DT00352A,2019,2019/5/4,RSC,All Solvent Removed,FALSE,392.5,0.8233336,0.639642857,weak,
391,2019[Cd][nan]3[ASR]5,c8dt00439k2_2_ASR_pacman,-,unknown,[C6Cd3O12_Type-1].[O][=C][Branch2][Ring2][Ring2][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1][N][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8dt00439k2_2_ASR_pacman,5.26305,3.46561,5.0192,1.60118,296.83,654.2,408.573,0,0,0,2137.98,0.4712,0.294283,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,13.50338222,0.772421539,0.016604517,0.860369264,0.02241453,0.922703354,0.02433526,0.001502818,0.325845034,324,SI,10.1039/C8DT00439K,2019,2019/3/12,RSC,All Solvent Removed,FALSE,285.8,0.1255858,0.759411765,none,
392,2019[Cd][nan]2[ASR]1,c8dt00909k2_ASR_pacman,-,unknown,[C4Cd2O8_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;c8dt00909k2_ASR_pacman,5.31114,4.55393,5.30322,1.17917,454.508,1191.67,1010.61,0,0,0,1956.6,0.513,0.435053,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2yc,13,Cd,No,N/A,PACMAN-DDEC6,10.41669169,0.863514703,0.035782118,0.955227574,0.07050326,1.009938472,0.080953503,0.001464238,0.430410391,260,SI,10.1039/C8DT00909K,2019,2019/4/9,RSC,All Solvent Removed,TRUE,278.8,0.5795232,0.859545455,none,
393,0000[Zn][nan]3[ASR]3,c8dt00939b2_1_ASR_pacman,-,[O-]C(=O)c1cc(NC2=NC(=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn].[Zn][O]([Zn])[Zn] MOFid-v1.unknown.cat0;c8dt00939b2_1_ASR_pacman,unknown,9.69734,4.09287,5.83715,0.886402,5705.54,2480,2797.83,0,0,0,15331.3,0.6664,0.751804,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 4d 2 3,210,Zn,Yes,Zn,PACMAN-DDEC6,12.84555448,0.821669091,0.018039605,0.937679266,0.030138026,0.987297217,0.038995265,0.001656281,0.335850082,956,SI,10.1039/C8DT00939B,unknown,unknown,RSC,All Solvent Removed,TRUE,412.7,0.5470132,0.69,unknown,
394,2019[Zn][nan]3[ASR]4,c8dt00939b2_2_ASR_pacman,-,[O-]C(=O)c1cc(NC2=NC(=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn].[Zn][O]([Zn])[Zn] MOFid-v1.unknown.cat0;c8dt00939b2_2_ASR_pacman,unknown,9.65699,4.07308,5.76892,0.887986,5695.72,2480.16,2793.01,0,0,0,15414.2,0.6712,0.755867,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 4d 2 3,210,Zn,Yes,Zn,PACMAN-DDEC6,12.84555448,0.821357613,0.017413806,0.938241043,0.030473008,0.989479121,0.039126944,0.001681215,0.32793398,956,SI,10.1039/C8DT00939B,2019,2019/5/14,RSC,All Solvent Removed,TRUE,412.3,0.53652805,0.69,unknown,
395,2019[Cu][nan]3[ASR]2,c8dt01017j2_1_ASR_pacman,-,"Cc1cc(cc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.unknown,mfj.cat0;c8dt01017j2_1_ASR_pacman","[C4Cu2O8_Type-1].[C][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,mfj.cat0;c8dt01017j2_1_ASR_pacman",11.30481,6.66246,11.30481,0.711262,1817.09,2387.04,3356.06,0,0,0,5595.05,0.735,1.03337,0,0,0,3,unnamed,unnamed,mfj,unnamed,1,3,C 2c -2,36,Cu,Yes,Cu,PACMAN-DDEC6,12.07619067,0.82071753,0.022926438,0.903764113,0.049950272,0.957740353,0.055355559,0.001370228,0.41449412,270,SI,10.1039/C8DT01017J,2019,2019/6/5,RSC,All Solvent Removed,FALSE,308.2,0.93550104,0.367,weak,
396,2019[Mn][srs]3[ASR]1,c8dt01103f2_2_ASR_pacman,-,[Mn].[O-]C(=O)c1cc(cc(c1)c1cc(nc(c1)c1ccccn1)c1ccccn1)C(=O)[O-] MOFid-v1.srs.cat1;c8dt01103f2_2_ASR_pacman,[C2Mn1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.srs.cat1;c8dt01103f2_2_ASR_pacman,5.4427,4.33077,5.44236,1.08115,911.128,1646.7,1523.1,0,0,0,2910.39,0.526,0.486518,0,0,0,3,srs,unnamed,srs,unnamed,2,3,P 4abw 2nw,92,Mn,No,N/A,PACMAN-DDEC6,10.23420602,0.906446004,0.027972053,1.007535768,0.058423363,1.076675661,0.072908495,0.001702297,0.401082012,352,SI,10.1039/C8DT01103F,2019,2019/4/26,RSC,All Solvent Removed,TRUE,417.7,0.80066574,0.66,weak,
397,2019[Mn][bpq]3[ASR]1,c8dt01185k2_ASR_pacman,-,unknown,[Mn2_Type-1].[N][=C][CH0][Branch1][Branch1][C][=N][Ring1][Branch1][C][=C][NH0][N][=C][Ring1][Branch1].[OH1] MOFid-v2.bpq.cat0;c8dt01185k2_ASR_pacman,5.79654,5.54886,5.79654,1.18954,83.9522,1473.5,1238.72,0,0,0,318.032,0.5582,0.469257,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-C 2y,12,Mn,No,N/A,PACMAN-DDEC6,12.00400853,0.80807237,0.034699621,0.897705115,0.052225763,0.984598402,0.049812716,0.00176526,0.278950848,34,SI,10.1039/C8DT01185K,2019,2019/6/8,RSC,All Solvent Removed,TRUE,304.2,0.642044,0.45,weak,
398,2019[Zn][tfz]3[ASR]1,c8dt01299g2_10_ASR_pacman,-,[O-]C(=O)c1cc(ccc1c1ccc(c(c1)N(=O)=O)C(=O)[O-])C(=O)[O-].[Zn][OH]1[Zn][OH]([Zn]1)[Zn].n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;c8dt01299g2_10_ASR_pacman,unknown,6.88202,3.80287,6.88202,1.27922,352.056,1072.51,838.412,0,0,0,1645.21,0.5012,0.391801,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,11.70669074,0.837990721,0.024372404,0.946906301,0.050415951,0.991697635,0.059369415,0.001537069,0.38755735,216,SI,10.1039/C8DT01299G,2019,2019/4/30,RSC,All Solvent Removed,FALSE,320.4,0.52883023,0.746605985,strong,
399,2019[Ni][nan]3[ASR]4,c8dt01299g2_11_ASR_pacman,-,[Ni][OH2][Ni].[O-]C(=O)c1cc(ccc1c1ccc(c(c1)N(=O)=O)C(=O)[O-])C(=O)[O-].[OH2][Ni].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;c8dt01299g2_11_ASR_pacman,unknown,5.84904,4.05574,5.84904,1.24538,314.707,937.351,752.663,0,0,0,1653.19,0.4924,0.395382,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Ni,Yes,Ni,PACMAN-DDEC6,10.57975328,0.900747093,0.025379666,1.008956521,0.060542822,1.059616587,0.068352075,0.001588695,0.433730171,238,SI,10.1039/C8DT01299G,2019,2019/4/30,RSC,All Solvent Removed,FALSE,273.1,0.5972835,0.857285304,strong,
400,2019[In][sql]2[ASR]1,c8dt01405a2_1_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat1;c8dt01405a2_1_ASR_pacman,[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;c8dt01405a2_1_ASR_pacman,6.45976,4.16361,6.45976,1.05675,760.023,2073.31,1961.97,0,0,0,2243.44,0.612,0.579134,0,0,0,2,sql,unnamed,sql,unnamed,2,3,C 2 2 -1bc,68,In,No,N/A,PACMAN-DDEC6,12.67842783,0.804337339,0.023734857,0.904175064,0.044486845,0.949872931,0.054802938,0.001455356,0.376753872,184,SI,10.1039/C8DT01405A,2019,2019/6/18,RSC,All Solvent Removed,TRUE,378.8,0.8344578,0.829411765,none,
401,2019[In][mcm]2[ASR]1,c8dt01405a2_4_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.mcm.cat1;c8dt01405a2_4_ASR_pacman,unknown,7.94208,4.72487,7.9272,1.13415,1310.07,1383.88,1220.19,0,0,0,5320.26,0.562,0.495526,0,0,0,2,mcm,unnamed,mcm,unnamed,8,3,P 2 2ab,18,In,No,N/A,PACMAN-DDEC6,11.97344148,0.807467356,0.02483027,0.905258626,0.054760338,0.943092992,0.063410283,0.001356256,0.410583268,540,SI,10.1039/C8DT01405A,2019,2019/6/18,RSC,All Solvent Removed,TRUE,328.7,0.8662492,0.679411765,weak,
402,2019[Cd][nan]3[ASR]6,c8dt01694a2_ASR_pacman,-,unknown,unknown,6.70349,4.78212,6.69739,1.4561,592.457,1301.85,894.067,0,0,0,2531.2,0.5562,0.381979,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,15.83563619,0.697737225,0.010788663,0.769725272,0.022117268,0.823314054,0.026194391,0.001255768,0.324073285,252,SI,10.1039/C8DT01694A,2019,2019/7/2,RSC,All Solvent Removed,FALSE,294.4,0.706892,0.5895,unknown,
403,2019[Cd][ths]3[ASR]1,c8dt01728j2_ASR_pacman,-,[Cd]I.[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C1=C[CH]N(C=C1)Cc1ccc(cc1)CN1[CH]C=C(C=C1)c1ccncc1 MOFid-v1.ths.cat0;c8dt01728j2_ASR_pacman,[C2Cd1I1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][CH1][N][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][CH1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ths.cat0;c8dt01728j2_ASR_pacman,6.25875,4.356,5.64144,1.39764,314.223,1080.91,773.382,0,0,0,1497.11,0.515,0.368477,0,0,0,3,ths,unnamed,ths,unnamed,11,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,13.297585,0.685674186,0.023179687,0.778158483,0.037838069,0.826340263,0.050105927,0.001406661,0.271059705,184,SI,10.1039/C8DT01728J,2019,2019/6/5,RSC,All Solvent Removed,TRUE,359.9,0.4499684,0.829411765,weak,
404,2019[Zn][nan]3[ASR]5,c8dt01923a2_ASR_pacman,-,O=N(=O)c1cc(cc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O-]C=O.[Zn].[Zn][Zn] MOFid-v1.unknown.cat0;c8dt01923a2_ASR_pacman,unknown,9.76418,6.94382,9.71131,0.796242,2111.63,2107.37,2646.64,0,0,0,7242.64,0.7228,0.907764,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,13.05600609,0.821756809,0.015117918,0.912699242,0.034106883,0.964850207,0.042899947,0.001430934,0.398941862,368,SI,10.1039/C8DT01923A,2019,2019/6/20,RSC,All Solvent Removed,FALSE,368.1,0.6099918,0.75,strong,
405,2019[Eu][nan]2[ASR]1,c8dt02202j2_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(CN2C=CC=C([CH]2)[O])cc(c1)C(=O)[O-].[O-]C(=O)c1cc(CN2[CH]C=CC(=C2)[O])cc(c1)C(=O)[O-].[O-]C=O MOFid-v1.unknown.cat0;c8dt02202j2_ASR_pacman,[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][N][C][=C][C][=C][Branch1][Ring2][CH1][Ring1][=Branch1][OH0][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][N][CH1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][OH0][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][=Branch1][C][=O][O-1].[O-1][C][=O] MOFid-v2.UNKNOWN.cat0;c8dt02202j2_ASR_pacman,3.18745,2.54225,3.18736,2.04542,0,0,0,0,0,0,486.235,0.3198,0.15635,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Eu,No,N/A,PACMAN-DDEC6,13.77077647,0.729917719,0.022739657,0.801758144,0.041350859,0.847054951,0.046040903,0.001171372,0.382929958,136,SI,10.1039/C8DT02202J,2019,2019/8/15,RSC,All Solvent Removed,FALSE,331.6,0.36750567,0.76,strong,
406,2019[Pr][nan]3[ASR]2,c8dt02429d2_1_ASR_pacman,-,[O-]C(=O)c1cncc(c1)C(=O)[O-].[Pr] MOFid-v1.tsy.cat0;c8dt02429d2_1_ASR_pacman,[Pr2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.tsy.cat0;c8dt02429d2_1_ASR_pacman,4.97189,3.79936,4.61458,1.59835,188.29,1166.08,729.551,0,0,0,807.039,0.4998,0.312697,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Pr,Yes,Pr,PACMAN-DDEC6,16.53456085,0.657893306,0.011189703,0.723161016,0.02950924,0.763245838,0.03236654,0.001053525,0.34603286,94,SI,10.1039/C8DT02429D,2019,2019/8/16,RSC,All Solvent Removed,FALSE,390.9,0.2662809,0.7405,none,
407,2019[Eu][sql]2[ASR]1,c8dt02429d2_5_ASR_pacman,-,unknown,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;c8dt02429d2_5_ASR_pacman,5.33905,3.63207,5.33384,1.63918,389.819,1203.65,734.305,0,0,0,1638.1,0.5058,0.30857,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,17.00504383,0.633893556,0.012537974,0.705659248,0.02631851,0.744049217,0.030269373,0.001101557,0.308989198,188,SI,10.1039/C8DT02429D,2019,2019/8/16,RSC,All Solvent Removed,FALSE,357.1,0.55244046,0.74962963,none,
408,2019[Cu][ssa]3[ASR]1,c8dt02686f2_ASR_pacman,-,"Nc1nc(N)c(cc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.ssa,sty.cat0;c8dt02686f2_ASR_pacman","[C4Cu2O8_Type-1].[N][C][=N][C][Branch1][C][N][=C][Branch2][Ring1][O][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ssa,sty.cat0;c8dt02686f2_ASR_pacman",10.56906,5.22934,9.73766,0.792792,1659.07,2355.63,2971.31,0,0,0,5049.83,0.717,0.904399,0,0,0,3,ssa,unnamed,sty,unnamed,1,3,-P 6c 2c,194,Cu,Yes,Cu,PACMAN-DDEC6,12.45376311,0.808145785,0.024737828,0.895710358,0.042040971,0.966109675,0.057225814,0.001579639,0.337114992,270,SI,10.1039/C8DT02686F,2019,2019/8/15,RSC,All Solvent Removed,FALSE,286,0.90738034,0.585,weak,
409,2019[Cd][tfz]3[ASR]1,c8dt02813c2_3_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)Sc1ccncc1 MOFid-v1.ERROR.cat0;c8dt02813c2_3_ASR_pacman,[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8dt02813c2_3_ASR_pacman,6.0594,4.09029,6.05531,1.18064,294.027,1319.32,1117.45,0,0,0,1191.87,0.5348,0.452973,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,11.23786979,0.811506106,0.031545177,0.920765744,0.05026221,0.983526713,0.068047761,0.001720206,0.303194059,141,SI,10.1039/C8DT02813C,2019,2019/9/11,RSC,All Solvent Removed,TRUE,310.4,0.8780072,0.6625,none,
410,2019[Cd][tfz]3[ASR]2,c8dt02813c2_4_ASR_pacman,-,"[Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)SSc1ccncc1 MOFid-v1.unknown,sql.cat0;c8dt02813c2_4_ASR_pacman","[C6Cd3O12_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,sql.cat0;c8dt02813c2_4_ASR_pacman",6.26064,4.91879,6.26064,0.939663,641.552,2201.98,2343.38,0,0,0,1850.08,0.635,0.675775,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,11.52915832,0.800722885,0.031098168,0.891600861,0.057664936,0.94785537,0.072828283,0.001471325,0.36509601,143,SI,10.1039/C8DT02813C,2019,2019/9/11,RSC,All Solvent Removed,TRUE,355.4,0.5183102,0.88,none,
411,2019[Co][lcv]3[ASR]1,c8dt02841a2_ASR_pacman,-,FC(C1=C(c2ccc(cc2)C2=C(N=N[C]2C(F)(F)F)C(F)(F)F)C(=N[N]1)C(F)(F)F)(F)F.FC(C1=NN=C([C]1c1ccc(cc1)C1=C([N]N=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F.[Co].[OH] MOFid-v1.unknown.cat1;c8dt02841a2_ASR_pacman,[Co1_Type-1].[F][C][Branch2][Branch1][=Branch2][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch1][=C][N][=N][CH0][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][=Branch1][=N][NH0][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][C][F][F].[F][C][Branch2][Branch1][=Branch1][C][=N][N][=C][Branch2][Ring2][#Branch1][CH0][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch1][=C][NH0][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][Branch1][C][F][F].[OH1] MOFid-v2.UNKNOWN.cat1;c8dt02841a2_ASR_pacman,3.40112,2.79036,3.38339,1.63923,0,0,0,0.69514,2.71409,1.65571,1130.53,0.4414,0.269272,0,0,0,3,lcv,unnamed,unnamed,unnamed,2,3,I 4bw 2aw -1bw,142,Co,No,N/A,PACMAN-DDEC6,15.04980163,0.784975602,0.012313916,0.877938155,0.019831273,0.938799587,0.019992122,0.00153824,0.328853834,168,SI,10.1039/C8DT02841A,2019,2019/8/23,RSC,All Solvent Removed,TRUE,319.6,0.5381284,0.75,weak,
412,2019[Cd][ins]3[ASR]1,c8dt02858c2_1_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)[O-])N1[N]C=N[CH]1.c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.ins.cat0;c8dt02858c2_1_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][NH0][C][=N][CH1][Ring1][Branch1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ins.cat0;c8dt02858c2_1_ASR_pacman,9.03531,8.71363,9.03531,0.89021,681.339,1694.73,1903.74,0,0,0,2643.78,0.6576,0.738702,0,0,0,3,ins,unnamed,ins,unnamed,2,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,10.99622939,0.824062641,0.030219041,0.915709491,0.05560735,0.978603893,0.06793737,0.001545413,0.365230959,196,SI,10.1039/C8DT02858C,2019,2019/9/5,RSC,All Solvent Removed,TRUE,339.7,0.82933354,0.66,weak,
413,2019[Cd][ins]3[ASR]2,c8dt02858c2_2_ASR_pacman,-,Cc1nccn1c1ccc(cc1)n1ccnc1C.[Cd].[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)[O-])N1[N]C=N[CH]1 MOFid-v1.ins.cat0;c8dt02858c2_2_ASR_pacman,[C2Cd1O4_Type-1].[C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][NH0][C][=N][CH1][Ring1][Branch1] MOFid-v2.ins.cat0;c8dt02858c2_2_ASR_pacman,9.07712,6.4111,9.07296,0.774713,943.264,1990.02,2568.72,0,0,0,3300.91,0.6964,0.898913,0,0,0,3,ins,unnamed,ins,unnamed,2,3,-P 2yc,13,Cd,No,N/A,PACMAN-DDEC6,10.63157346,0.836248088,0.036120798,0.926796423,0.064906371,0.994065544,0.073196931,0.001578175,0.366675588,208,SI,10.1039/C8DT02858C,2019,2019/9/5,RSC,All Solvent Removed,TRUE,342.5,0.8410716,0.55,weak,
414,2019[Cd][nan]3[ASR]7,c8dt03215g2_1_ASR_pacman,-,C(Oc1cc2Cc3cc(OCCn4cncc4)c(cc3Cc3c(Cc2cc1OCCn1cncc1)cc(OCCn1cncc1)c(c3)OCCn1cncc1)OCCn1cncc1)Cn1cncc1.[Cd].[O-]C(=O)c1cccc(c1)C(=O)[O-] MOFid-v1.unknown.cat0;c8dt03215g2_1_ASR_pacman,[C2Cd1O4_Type-1].[C][Branch2][#Branch1][S][O][C][=C][C][C][C][=C][C][Branch1][O][O][C][C][N][C][=N][C][=C][Ring1][Branch1][=C][Branch2][Branch1][=C][C][=C][Ring1][=C][C][C][=C][Branch2][Ring1][Branch1][C][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=C][Branch1][O][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][Branch1][=C][Ring2][Ring1][#Branch2][O][C][C][N][C][=N][C][=C][Ring1][Branch1][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8dt03215g2_1_ASR_pacman,7.76646,4.38395,7.73061,1.06139,1170.98,1062.77,1001.3,438.621,398.089,375.065,6313.41,0.573,0.53986,0,0,0,3,unnamed,unnamed,unnamed,unnamed,4,3,P -6c -2c,190,Cd,No,N/A,PACMAN-DDEC6,10.11855828,0.878574616,0.037612625,0.971038894,0.068392079,1.032713595,0.080942201,0.00154139,0.421289268,696,SI,10.1039/C8DT03215G,2019,2019/11/1,RSC,All Solvent Removed,TRUE,424.2,0.7867805,0.89,unknown,
415,2019[Cd][nan]3[ASR]8,c8dt03215g2_3_ASR_pacman,-,C(Oc1cc2Cc3cc(OCCn4cncc4)c(cc3Cc3c(Cc2cc1OCCn1cncc1)cc(OCCn1cncc1)c(c3)OCCn1cncc1)OCCn1cncc1)Cn1cncc1.[Cd].[O-]C(=O)c1cccc(c1)C(=O)[O-] MOFid-v1.unknown.cat0;c8dt03215g2_3_ASR_pacman,[C2Cd1O4_Type-1].[C][Branch2][#Branch1][S][O][C][=C][C][C][C][=C][C][Branch1][O][O][C][C][N][C][=N][C][=C][Ring1][Branch1][=C][Branch2][Branch1][=C][C][=C][Ring1][=C][C][C][=C][Branch2][Ring1][Branch1][C][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=C][Branch1][O][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][Branch1][=C][Ring2][Ring1][#Branch2][O][C][C][N][C][=N][C][=C][Ring1][Branch1][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8dt03215g2_3_ASR_pacman,7.75652,4.77709,7.63592,1.04806,1138.11,1019.97,973.197,541.495,485.288,463.033,6565.49,0.5884,0.561416,0,0,0,3,unnamed,unnamed,unnamed,unnamed,4,3,P -6c -2c,190,Cd,No,N/A,PACMAN-DDEC6,10.11855828,0.877842905,0.040404522,0.961833396,0.070383,1.026377653,0.082694996,0.001485347,0.435479701,696,SI,10.1039/C8DT03215G,2019,2019/11/1,RSC,All Solvent Removed,FALSE,322.4,0.72821665,0.97,weak,
416,2019[Zn][pcu]3[ASR]3,c8dt03551b2_1_ASR_pacman,-,unknown,[C4O8Zn2_Type-1].[O][=C][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;c8dt03551b2_1_ASR_pacman,5.74581,3.91778,5.74581,1.10163,705.211,1500.75,1362.3,0,0,0,2606.1,0.5546,0.503435,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.53151162,0.891862956,0.031331648,1.01992138,0.043534948,1.078911807,0.060429754,0.001870489,0.342227728,296,SI,10.1039/C8DT03551B,2019,2019/10/1,RSC,All Solvent Removed,TRUE,449,0.734867,0.639473068,weak,
417,2019[Co][pcu]3[ASR]2,c8dt03551b2_2_ASR_pacman,-,O=Cc1ccc(cc1OCc1ccncc1)OCc1ccncc1.[Co][Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.pcu.cat1;c8dt03551b2_2_ASR_pacman,[C4Co2O8_Type-1].[O][=C][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;c8dt03551b2_2_ASR_pacman,5.67777,3.97572,5.67106,1.08616,706.128,1506.56,1387.05,0,0,0,2602.24,0.5552,0.511159,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,10.35727365,0.91323149,0.030448264,1.038456092,0.044510213,1.098112315,0.06106389,0.001848808,0.369517077,296,SI,10.1039/C8DT03551B,2019,2019/10/1,RSC,All Solvent Removed,TRUE,444.1,0.56905144,0.768226601,weak,
418,2020[Cd][sql]2[ASR]2,c8dt03811b2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(n1)c1ccc(cc1)C(=O)[O-])c1ccccc1.c1cc(nc(c1)n1cncc1)n1cncc1 MOFid-v1.sql.cat0;c8dt03811b2_2_ASR_pacman,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][=C][C][=Branch1][#C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sql.cat0;c8dt03811b2_2_ASR_pacman,4.73171,2.7922,4.69008,1.23174,0,0,0,146.624,758.408,615.723,942.686,0.4876,0.395864,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,10.09893746,0.860834508,0.03970767,0.962767208,0.074576709,1.020854329,0.086239155,0.001600198,0.38808264,142,SI,10.1039/C8DT03811B,2020,2020/1/3,RSC,All Solvent Removed,FALSE,425.9,0.9322956,0.65,weak,
419,2020[Co][sql]2[ASR]2,c8dt03811b2_4_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)c1cc(cc(n1)c1ccc(cc1)C(=O)[O-])c1ccccc1.c1cc(nc(c1)n1cncc1)n1cncc1 MOFid-v1.sql.cat0;c8dt03811b2_4_ASR_pacman,[C4Co2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][=C][C][=Branch1][#C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sql.cat0;c8dt03811b2_4_ASR_pacman,4.4792,2.75315,4.44811,1.18114,0,0,0,126.943,680.381,576.036,853.026,0.4572,0.387082,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,9.345728944,0.930804974,0.043016006,1.041802019,0.081234373,1.102221993,0.093414607,0.00171417,0.424983427,142,SI,10.1039/C8DT03811B,2020,2020/1/3,RSC,All Solvent Removed,FALSE,412.7,0.92531705,0.7,weak,
420,2019[Co][nan]3[ASR]5,c8dt04054k2_ASR_pacman,-,[Co][OH]1[Co][OH]([Co]1)[Co].[O-]C(=O)c1ccncc1 MOFid-v1.ERROR.cat0;c8dt04054k2_ASR_pacman,unknown,6.50079,4.27513,6.45342,1.1763,817.609,1541.52,1310.48,0,0,0,2924.58,0.5514,0.468757,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,11.74123475,0.853499037,0.02929605,0.938712704,0.056740842,0.985936704,0.06797948,0.001324377,0.462517648,320,SI,10.1039/C8DT04054K,2019,2019/11/21,RSC,All Solvent Removed,TRUE,306.6,0.93441975,0.607538462,weak,
421,2019[Cd][nan]2[ASR]2,c8dt04180f2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;c8dt04180f2_ASR_pacman,unknown,5.71543,3.55888,5.62291,1.26251,272.065,637.528,504.97,0,0,0,1923.79,0.4508,0.357067,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,9.656339286,0.899924183,0.037011792,1.007945934,0.076891867,1.065236253,0.090937256,0.001653121,0.412443212,336,SI,10.1039/C8DT04180F,2019,2019/11/22,RSC,All Solvent Removed,TRUE,296,0.5431953,0.683008812,weak,
422,2019[V][bpq]3[ASR]1,c8dt04214d2_1_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)Br)C(=O)[O-].[O].[V] MOFid-v1.rna.cat0;c8dt04214d2_1_ASR_pacman,[V2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;c8dt04214d2_1_ASR_pacman,3.74263,3.52093,3.74263,1.82841,11.6233,206.456,112.915,0,0,0,234.429,0.4164,0.227738,0,0,0,3,bpq,unnamed,rna,unnamed,1,2,C -2yc,9,V,No,N/A,PACMAN-DDEC6,17.21955111,0.678889989,0.006626867,0.755096656,0.007941711,0.831633597,0.005105306,0.001527436,0.220604117,36,SI,10.1039/C8DT04214D,2019,2019/12/7,RSC,All Solvent Removed,TRUE,405.8,0.107286006,0.13,weak,
423,2019[V][bpq]3[ASR]2,c8dt04214d2_2_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)C(F)(F)F)C(=O)[O-].[O].[V] MOFid-v1.rna.cat0;c8dt04214d2_2_ASR_pacman,[V2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;c8dt04214d2_2_ASR_pacman,6.81587,4.8163,6.59242,1.2417,200.29,1252.04,1008.32,0,0,0,886.24,0.554,0.446162,0,0,0,3,bpq,unnamed,rna,unnamed,1,2,P 1,1,V,No,N/A,PACMAN-DDEC6,14.24065855,0.828165108,0.004761032,0.921387522,0.008537571,1.01260525,0.004083976,0.001844401,0.275178798,84,SI,10.1039/C8DT04214D,2019,2019/12/7,RSC,All Solvent Removed,TRUE,360.1,0.8841741,0.1525,weak,
424,2019[V][bpq]3[ASR]3,c8dt04214d2_3_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)C(F)(F)F)C(=O)[O-].[O].[V] MOFid-v1.rna.cat0;c8dt04214d2_3_ASR_pacman,[V2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;c8dt04214d2_3_ASR_pacman,3.34574,2.72553,3.32076,1.75338,0,0,0,0,0,0,214.68,0.379,0.216154,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,C -2yc,9,V,No,N/A,PACMAN-DDEC6,14.24065855,0.80873708,0.007520587,0.91210721,0.008362825,1.002204886,0.006343617,0.001934678,0.230545739,42,SI,10.1039/C8DT04214D,2019,2019/12/7,RSC,All Solvent Removed,TRUE,325.1,0.94049776,0.18,weak,
425,2019[V][bpq]3[ASR]4,c8dt04214d2_4_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)Br)C(=O)[O-].[O].[V] MOFid-v1.rna.cat0;c8dt04214d2_4_ASR_pacman,[V2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;c8dt04214d2_4_ASR_pacman,7.16507,5.97028,7.12671,1.39001,208.837,1410.01,1014.38,0,0,0,821.42,0.5546,0.398989,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,P 1,1,V,No,N/A,PACMAN-DDEC6,17.21955111,0.678568195,0.006168937,0.758077148,0.00769701,0.831423307,0.005292085,0.001528551,0.221029991,72,SI,10.1039/C8DT04214D,2019,2019/12/7,RSC,All Solvent Removed,TRUE,415.9,0.13309625,0.1425,weak,
426,2019[Zn][pts]3[ASR]3,c8dt04252g2_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)ccc(n2)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c8dt04252g2_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8dt04252g2_ASR_pacman,4.96882,3.23985,4.96869,1.54267,0,0,0,156.806,649.055,420.734,1086.68,0.4498,0.291572,0,0,0,3,pts-x,unnamed,unnamed,unnamed,1,3,I 4bw -1bw,88,Zn,No,N/A,PACMAN-DDEC6,12.75189545,0.800987283,0.020556279,0.903636762,0.040154764,0.950834614,0.048331682,0.001498473,0.360687226,176,SI,10.1039/C8DT04252G,2019,2019/12/27,RSC,All Solvent Removed,TRUE,396.4,0.848441,0.779096307,weak,
427,2020[Cd][kgd]2[ASR]1,c8dt04558e2_ASR_pacman,-,O=C1O[Cd]234O[C](O2)c2ccc(-c5ccc(-n6c7ccc(-c8ccc1cc8)cc7c1cc(-c7ccc([C](O3)O4)cc7)ccc61)cc5)cc2.[OH2][Cd][OH2] MOFid-v1.kgd.cat0;c8dt04558e2_ASR_pacman,unknown,8.63493,7.5169,8.63493,0.777562,666.234,1981.42,2548.25,0,0,0,2318.71,0.6896,0.886875,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,10.85830152,0.82297577,0.036342293,0.9312502,0.055358473,0.985756112,0.062662107,0.001627803,0.343596164,145,SI,10.1039/C8DT04558E,2020,2020/1/21,RSC,All Solvent Removed,FALSE,351.6,0.45026064,0.74,strong,
428,2020[Cu][nan]2[ASR]1,c8dt04904a2_1_ASR_pacman,-,I[Cu]([Cu][Cu][Cu](I)I)I.[Cu][Cu](I)I.c1ccc(cn1)C#Cc1cc(C#Cc2cccnc2)cc(c1)C#Cc1cccnc1 MOFid-v1.hbt.cat1;c8dt04904a2_1_ASR_pacman,[Cu2I2_Type-1].[Cu4I4_Type-1].[C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][#C][C][=C][C][Branch1][O][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] MOFid-v2.hbt.cat1;c8dt04904a2_1_ASR_pacman,5.36632,4.23886,5.30805,1.62361,1071.9,859.252,529.223,0,0,0,5848.21,0.4688,0.28874,0,0,0,2,unstable,unnamed,unstable,unnamed,4,3,-P 2ac 2ab,61,Cu,Yes,Cu,PACMAN-DDEC6,15.55773551,0.638784391,0.019178016,0.687461922,0.039924934,0.73408156,0.047195269,0.000952972,0.353235863,784,SI,10.1039/C8DT04904A,2020,2020/2/28,RSC,All Solvent Removed,FALSE,322.9,0.40160048,0.24,weak,
429,2020[Cu][hbt]2[ASR]1,c8dt04904a2_4_ASR_pacman,-,I[Cu][Cu]I.[Cu][Cu](I)I.c1ccc(cn1)C#Cc1cc(C#Cc2cccnc2)cc(c1)C#Cc1cccnc1 MOFid-v1.hbt.cat1;c8dt04904a2_4_ASR_pacman,[Cu2I2_Type-1].[C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][#C][C][=C][C][Branch1][O][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] MOFid-v2.hbt.cat1;c8dt04904a2_4_ASR_pacman,4.80042,4.04778,4.55664,1.47054,513.167,851.526,579.055,0,0,0,3022.86,0.5016,0.341099,0,0,0,2,hbt,unnamed,hbt,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,13.89799594,0.692936071,0.022771841,0.768358192,0.041576778,0.822157421,0.046597351,0.001292213,0.308875838,384,SI,10.1039/C8DT04904A,2020,2020/2/28,RSC,All Solvent Removed,TRUE,318,0.38601398,0.41,weak,
430,2020[Cu][nan]2[ASR]2,c8dt04904a2_5_ASR_pacman,-,I[Cu]([Cu][Cu][Cu](I)I)I.[Cu][Cu](I)I.c1ccc(cn1)C#Cc1cc(C#Cc2cccnc2)cc(c1)C#Cc1cccnc1 MOFid-v1.hbt.cat1;c8dt04904a2_5_ASR_pacman,[Cu2I2_Type-1].[Cu4I4_Type-1].[C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][#C][C][=C][C][Branch1][O][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] MOFid-v2.hbt.cat1;c8dt04904a2_5_ASR_pacman,5.33884,4.22932,5.28829,1.62361,1064.84,853.589,525.735,0,0,0,5858.19,0.4696,0.289232,0,0,0,2,unstable,unnamed,unstable,unnamed,4,3,-P 2ac 2ab,61,Cu,Yes,Cu,PACMAN-DDEC6,15.55773551,0.637894636,0.019245147,0.686904271,0.040127496,0.735386249,0.047605846,0.000974916,0.345507738,784,SI,10.1039/C8DT04904A,2020,2020/2/28,RSC,All Solvent Removed,TRUE,322.8,0.39849192,0.24,weak,
431,2019[Zn][hcb]2[ASR]2,c8nj01359d2_1_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)[O-])N1[N]C=N[CH]1.[Zn] MOFid-v1.hcb,ERROR.cat1;c8nj01359d2_1_ASR_pacman",unknown,5.8685,3.23791,5.84844,1.26621,0,0,0,134.945,362.843,286.559,1738.32,0.4674,0.369134,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2yc,13,Zn,No,N/A,PACMAN-DDEC6,9.846691944,0.939857866,0.031602528,1.060035738,0.063829552,1.120695297,0.075596488,0.001808374,0.407265295,288,SI,10.1039/C8NJ01359D,2019,2019/4/26,RSC,All Solvent Removed,FALSE,297,0.94784486,0.696809524,strong,
432,2019[Zn][pcu]3[ASR]4,c8nj02407c2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)CNc1ccc(cc1)NCc1ccncc1 MOFid-v1.pcu.cat0;c8nj02407c2_1_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat0;c8nj02407c2_1_ASR_pacman,6.88365,6.42016,6.88365,1.17237,279.408,1056.52,901.179,0,0,0,1321.25,0.4996,0.426144,0,0,0,3,pcu,unnamed,pcu,unnamed,3,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.724405833,0.930024894,0.038999085,1.032099844,0.075537895,1.08622004,0.085014974,0.001561951,0.469431918,192,SI,10.1039/C8NJ02407C,2019,2019/7/23,RSC,All Solvent Removed,TRUE,345.4,0.712395,0.639071429,weak,
433,2019[Zn][pcu]3[ASR]5,c8nj02407c2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)CNc1cccc2c1cccc2NCc1ccncc1 MOFid-v1.pcu.cat0;c8nj02407c2_2_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat0;c8nj02407c2_2_ASR_pacman,6.75137,6.49633,6.75137,1.17359,264.854,951.5,810.762,0,0,0,1372.84,0.4932,0.42025,0,0,0,3,pcu,unnamed,pcu,unnamed,3,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,9.643153333,0.925968274,0.040223491,1.028444429,0.076431807,1.083560329,0.086541217,0.001575921,0.461085488,204,SI,10.1039/C8NJ02407C,2019,2019/7/23,RSC,All Solvent Removed,TRUE,337.5,0.7196278,0.636571429,weak,
434,2019[Zn][ant]3[ASR]1,c8nj04151b2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)c1ccc(s1)C(=O)[O-])c1ccc(cc1)c1ccc(s1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.ant.cat1;c8nj04151b2_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ant.cat1;c8nj04151b2_ASR_pacman,13.71134,11.05968,13.63062,0.575121,3465.22,2214.79,3850.99,0,0,0,12153.7,0.7768,1.35067,0,0,0,3,ant,unnamed,ant,unnamed,2,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,11.98814407,0.799064147,0.031526521,0.876138048,0.049151195,0.944191047,0.060742485,0.001451269,0.36518693,452,SI,10.1039/C8NJ04151B,2019,2019/10/12,RSC,All Solvent Removed,FALSE,320.8,0.78004324,0.62,weak,
435,2019[Cu][gra]3[ASR]1,c8nj04853c2_1_ASR_pacman,-,[Cu].[O]S(=O)(=O)[O].n1ccc(cc1)c1nnc(s1)c1ccncc1 MOFid-v1.dia.cat0;c8nj04853c2_1_ASR_pacman,[Cu1_Type-1].[OH0][S][=Branch1][C][=O][=Branch1][C][=O][OH0].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.dia.cat0;c8nj04853c2_1_ASR_pacman,4.13577,3.75215,4.12059,1.57483,99.482,589.819,374.53,0,0,0,701.985,0.4162,0.264283,0,0,0,3,gra,unnamed,gra,unnamed,1,3,P 2ac 2ab,19,Cu,Yes,Cu,PACMAN-DDEC6,12.89975226,0.824252303,0.018197119,0.937675464,0.035695722,0.977846555,0.046151325,0.001535943,0.375678228,124,SI,10.1039/C8NJ04853C,2019,2019/11/14,RSC,All Solvent Removed,FALSE,360,0.48356122,0.78,none,
436,2019[Eu][nan]3[ASR]5,c8nj04956d2_ASR_pacman,-,[Eu][OH]1[Eu][OH]2[Eu]1[OH]1[Eu]2[OH]([Eu]1)[Eu].[O-]C(=O)c1ccc(cc1)c1cc(cc(n1)c1ccc(cc1)C(=O)[O-])c1ccncc1.[O-]C=O MOFid-v1.ERROR.cat0;c8nj04956d2_ASR_pacman,[C12Eu6H4O28_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=O] MOFid-v2.ERROR.cat0;c8nj04956d2_ASR_pacman,6.21597,3.42309,6.2013,1.38038,745.335,901.569,653.128,0,0,0,4102.13,0.4962,0.359465,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,12.01441259,0.762219069,0.026143597,0.84715762,0.053732684,0.895406279,0.064819825,0.001331872,0.368772421,572,SI,10.1039/C8NJ04956D,2019,2019/11/7,RSC,All Solvent Removed,FALSE,362.7,0.85888296,0.71,none,
437,2019[Cd][tfz]3[ASR]3,c8nj05276j2_ASR_pacman,-,unknown,[C8Cd3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.tfz-d.cat0;c8nj05276j2_ASR_pacman,10.88667,9.06105,10.88653,0.720926,2176.87,1890.18,2621.87,0,0,0,8589.19,0.7458,1.0345,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,2,-C 2bc 2,64,Cd,No,N/A,PACMAN-DDEC6,12.62620323,0.751613662,0.028593953,0.836610996,0.047579052,0.889605501,0.057827295,0.001379918,0.34297195,396,SI,10.1039/C8NJ05276J,2019,2019/12/13,RSC,All Solvent Removed,TRUE,348.4,0.8064163,0.82,unknown,
438,2019[Zn][lvt]3[ASR]1,c8nj05508d2_1_ASR_pacman,-,C(Cc1ccncc1)Cc1ccncc1.CCOc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.lvt.cat0;c8nj05508d2_1_ASR_pacman,[C2O4Zn1_Type-1].[C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[C][C][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.lvt.cat0;c8nj05508d2_1_ASR_pacman,4.96581,3.72779,4.96581,0.977105,1664.58,1297.46,1327.86,0,0,0,7192.25,0.5606,0.573736,0,0,0,3,lvt,unnamed,lvt,unnamed,1,2,F 2 -2d,43,Zn,Yes,Zn,PACMAN-DDEC6,8.902097736,0.977720551,0.053047222,1.086837418,0.089892369,1.120197283,0.095408548,0.001424767,0.562916518,848,SI,10.1039/C8NJ05508D,2019,2019/12/6,RSC,All Solvent Removed,FALSE,347.4,0.89988756,0.673879549,strong,
439,2020[Eu][nan]3[ASR]2,c8nj05701j2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc(o1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8nj05701j2_2_ASR_pacman,[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8nj05701j2_2_ASR_pacman,5.86311,4.43195,5.84537,1.49411,558.71,1640.37,1097.89,0,0,0,1912.81,0.5616,0.375876,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,18.68681073,0.605360706,0.010503119,0.666221471,0.020581939,0.710807902,0.024064155,0.001054472,0.291731505,164,SI,10.1039/C8NJ05701J,2020,2020/1/3,RSC,All Solvent Removed,FALSE,347.9,0.9351301,0.678,none,
440,2020[Pr][nan]3[ASR]1,c8nj05701j2_3_ASR_pacman,-,[O-]C(=O)c1ccc(o1)C(=O)[O-].[Pr] MOFid-v1.ERROR.cat0;c8nj05701j2_3_ASR_pacman,[Pr2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8nj05701j2_3_ASR_pacman,5.86694,4.44854,5.79091,1.45065,549.149,1611.92,1111.17,0,0,0,1938.47,0.569,0.392238,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Pr,Yes,Pr,PACMAN-DDEC6,18.14747659,0.631262276,0.010238144,0.691637681,0.020306213,0.737602405,0.023520322,0.001063401,0.314643671,164,SI,10.1039/C8NJ05701J,2020,2020/1/3,RSC,All Solvent Removed,FALSE,360,0.9373069,0.688,none,
441,2020[Ce][nan]3[ASR]1,c8nj05701j2_4_ASR_pacman,-,[Ce].[O-]C(=O)c1ccc(o1)C(=O)[O-] MOFid-v1.ERROR.cat0;c8nj05701j2_4_ASR_pacman,[Ce2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8nj05701j2_4_ASR_pacman,5.96486,4.52282,5.9502,1.41157,575.865,1648.32,1167.72,0,0,0,1989.99,0.5696,0.403522,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Ce,Yes,Ce,PACMAN-DDEC6,18.10885951,0.635060764,0.01001593,0.697166956,0.019273258,0.746719042,0.023128919,0.001116583,0.30217828,164,SI,10.1039/C8NJ05701J,2020,2020/1/3,RSC,All Solvent Removed,FALSE,353.7,0.9017972,0.69,none,
442,2020[Nd][nan]3[ASR]1,c8nj05701j2_5_ASR_pacman,-,unknown,[Nd2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8nj05701j2_5_ASR_pacman,5.58354,4.31725,5.56917,1.52568,458.219,1337.81,876.863,0,0,0,1809.16,0.5282,0.346207,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Nd,Yes,Nd,PACMAN-DDEC6,16.73927234,0.664946664,0.017233034,0.731870612,0.026248016,0.770767194,0.03549717,0.001058205,0.352156302,188,SI,10.1039/C8NJ05701J,2020,2020/1/3,RSC,All Solvent Removed,FALSE,313.4,0.8077737,0.63962963,none,
443,2020[Fe][nan]3[ASR]1,c8nj05782f2_ASR_pacman,-,Cc1[nH][n-]c(c1c1c(C)[n-][nH]c1C)C.[Fe][OH][Fe].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8nj05782f2_ASR_pacman,unknown,9.27312,7.76131,9.27312,0.929682,609.576,1800.24,1936.4,0,0,0,2174.54,0.6422,0.690774,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Fe,Yes,Fe,PACMAN-DDEC6,12.47205,0.869615181,0.018620938,0.945843322,0.042875253,1.002691889,0.046018942,0.001330767,0.473614985,152,SI,10.1039/C8NJ05782F,2020,2020/2/15,RSC,All Solvent Removed,FALSE,352.2,0.9245436,0.744107143,superstrong_high_loading,
444,2019[In][kgd]2[ASR]1,c8nr04992k2_ASR_pacman,-,unknown,unknown,8.30046,4.48716,8.20229,0.915941,908.412,1933.62,2111.08,0,0,0,2864.82,0.6098,0.665764,0,0,0,2,kgd,unnamed,hcb,unnamed,2,3,-C 2yc,15,In,Yes,In,PACMAN-DDEC6,10.62020295,0.836969078,0.032272504,0.937627126,0.061661632,0.990295978,0.075349981,0.001533269,0.384986581,244,SI,10.1039/C8NR04992K,2019,2019/11/2,RSC,All Solvent Removed,FALSE,376.8,0.6947948,0.6,weak,
445,2019[Co][apo]3[ASR]1,c8qi00240a2_1_ASR_pacman,-,[Co][Co].[O-]C(=O)c1cc(cc(c1)n1ccnc1C)C(=O)[O-] MOFid-v1.apo.cat0;c8qi00240a2_1_ASR_pacman,[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][O-1] MOFid-v2.apo.cat0;c8qi00240a2_1_ASR_pacman,4.97073,3.79815,4.88109,1.05942,740.468,1948.03,1838.76,0,0,0,2263.94,0.5956,0.562192,0,0,0,3,apo,unnamed,apo,unnamed,1,3,-P 2n 2ab,60,Co,No,N/A,PACMAN-DDEC6,11.22726352,0.876656928,0.024976453,0.956123575,0.050749449,1.035377718,0.066670436,0.001587208,0.400529976,216,SI,10.1039/C8QI00240A,2019,2019/4/23,RSC,All Solvent Removed,TRUE,365.2,0.7890835,0.558461538,weak,
446,2019[Co][rtl]3[ASR]1,c8qi00240a2_2_ASR_pacman,-,"Cc1ncn(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co][Co] MOFid-v1.rtl,sql.cat0;c8qi00240a2_2_ASR_pacman","[C4Co2O8_Type-1].[C][C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;c8qi00240a2_2_ASR_pacman",4.45932,2.75223,4.45652,1.15956,0,0,0,111.732,643.455,554.915,965.111,0.5558,0.479321,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,11.22726352,0.880680121,0.026897477,0.96594602,0.057686894,1.031922203,0.066878314,0.001512421,0.430168824,108,SI,10.1039/C8QI00240A,2019,2019/4/23,RSC,All Solvent Removed,TRUE,329.8,0.83001864,0.62,weak,
447,2019[Zn][mog]3[ASR]1,c8qi00684a2_1_ASR_pacman,-,unknown,unknown,4.73706,3.80127,4.73096,1.12986,403.524,885.154,783.422,1.70882,3.74841,3.3176,2410.69,0.5288,0.468025,0,0,0,3,mog,unnamed,moc,unnamed,2,3,-I 2b 2c,73,Zn,No,N/A,PACMAN-DDEC6,9.456535122,0.923255396,0.044639378,1.055637296,0.071316812,1.161616162,0.06760695,0.002383608,0.212573602,328,SI,10.1039/C8QI00684A,2019,2019/8/29,RSC,All Solvent Removed,FALSE,423.8,0.6869297,0.797281106,weak,
448,2019[Zn][mog]3[ASR]2,c8qi00684a2_2_ASR_pacman,-,unknown,unknown,5.05505,4.1455,5.05505,1.17803,692.97,792.439,672.684,0,0,0,4507.05,0.5154,0.437512,0,0,0,3,mog,unnamed,moc,unnamed,2,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.456535122,0.951517874,0.040794163,1.07235402,0.065839859,1.168789966,0.061434287,0.002172721,0.303768296,656,SI,10.1039/C8QI00684A,2019,2019/8/29,RSC,All Solvent Removed,FALSE,409.1,0.644132,0.787281106,weak,
449,2019[Zn][mog]3[ASR]3,c8qi00684a2_3_ASR_pacman,-,C[C]1N=NC(=C1c1ccc(cc1)C(=O)[O-])C.[O-]C(=O)c1ccc(cc1)c1c(C)[n-][nH]c1C.[Zn] MOFid-v1.pcu.cat1;c8qi00684a2_3_ASR_pacman,unknown,4.554,3.89796,4.49806,1.20302,307.763,718.815,597.508,0,0,0,2151.9,0.5026,0.417781,0,0,0,3,mog,unnamed,moc,unnamed,2,2,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.456535122,0.948698126,0.042531783,1.068529993,0.069806862,1.169939689,0.064834965,0.002212416,0.2880438,328,SI,10.1039/C8QI00684A,2019,2019/8/29,RSC,All Solvent Removed,TRUE,413.1,0.6530862,0.787281106,weak,
450,2019[Zn][mog]3[ASR]4,c8qi00684a2_5_ASR_pacman,-,C[C]1N=NC(=C1c1ccc(cc1)C(=O)[O-])C.[O-]C(=O)c1ccc(cc1)c1c(C)[n-][nH]c1C.[Zn] MOFid-v1.pcu.cat1;c8qi00684a2_5_ASR_pacman,unknown,4.62934,3.86669,4.61383,1.21861,598.491,707.98,580.971,0,0,0,4148.98,0.4908,0.402752,0,0,0,3,mog,unnamed,moc,unnamed,2,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.456535122,0.947752462,0.042352715,1.066310259,0.067308898,1.167733006,0.064663305,0.002199805,0.290666675,656,SI,10.1039/C8QI00684A,2019,2019/8/29,RSC,All Solvent Removed,FALSE,403.6,0.5887277,0.787281106,weak,
451,2019[Cu][nbo]3[ASR]1,c8qi00946e2_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1=CS[C]2[C]1SC=C2c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])[C]1[CH]S[C]2[C]1S[CH][C]2c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1csc2c1scc2c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,fof.cat0;c8qi00946e2_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][S][CH0][CH0][Ring1][Branch1][S][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][CH0][CH1][S][CH0][CH0][Ring1][Branch1][S][CH1][CH0][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][S][C][=C][Ring1][Branch1][S][C][=C][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,fof.cat0;c8qi00946e2_ASR_pacman",10.89818,6.83827,10.89818,0.754762,1823.73,2335.61,3094.5,0,0,0,5697,0.7296,0.966663,0,0,0,3,nbo,unnamed,fof,unnamed,1,2,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,14.08371714,0.777720883,0.013541355,0.857770731,0.029112605,0.920151991,0.036689456,0.001424311,0.353372322,252,SI,10.1039/C8QI00946E,2019,2019/9/26,RSC,All Solvent Removed,FALSE,301.6,0.79679847,0.655,weak,
452,2019[Cu][sql]2[ASR]3,c8qi01031e2_ASR_pacman,-,[Cu].[O-]C(=O)c1cc(CN2[CH]C=C(C=C2)c2ccncc2)cc(c1)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat1;c8qi01031e2_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][N][CH1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c8qi01031e2_ASR_pacman,5.99609,3.11493,5.98424,1.00861,0,0,0,417.622,1146.64,1136.85,2018.47,0.5542,0.549468,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,9.373685424,0.930222795,0.045150916,1.044633267,0.067552496,1.108042972,0.07545711,0.001778202,0.405262385,236,SI,10.1039/C8QI01031E,2019,2019/11/13,RSC,All Solvent Removed,FALSE,270.9,0.84555715,0.854708333,weak,
453,2019[Co][nan]3[ASR]6,c8qi01055b2_4_ASR_pacman,-,unknown,[C4Co2O8_Type-2].[O][=C][Branch2][Ring2][#Branch2][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c8qi01055b2_4_ASR_pacman,5.35568,4.08168,5.35568,0.994093,779.773,1450.32,1458.93,0,0,0,2899.05,0.5392,0.542404,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.14395608,0.955421762,0.042174225,1.070453667,0.08029794,1.127835956,0.096090905,0.001724142,0.447787455,352,SI,10.1039/C8QI01055B,2019,2019/11/9,RSC,All Solvent Removed,TRUE,408,0.9138192,0.95,strong,
454,2020[Al][fmz]3[ASR]1,c8qi01396a2_ASR_pacman,-,[Al][O]([Al])[Al].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fmz.cat0;c8qi01396a2_ASR_pacman,[Al3C6O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fmz.cat0;c8qi01396a2_ASR_pacman,14.37984,5.64079,14.3344,0.526238,3509.78,2273,4319.34,0,0,0,11963.8,0.7748,1.47234,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Al,Yes,Al,PACMAN-DDEC6,10.1945112,0.915040623,0.039900455,1.042645708,0.051595327,1.120230827,0.068236253,0.002051902,0.307806674,480,SI,10.1039/C8QI01396A,2020,2020/2/19,RSC,All Solvent Removed,FALSE,418.5,0.48530447,0.44,weak,
455,2020[Cu][lil]3[ASR]1,c8qi01404c2_ASR_pacman,-,Nc1c(cc(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Cu].[Cu][Cu] MOFid-v1.lil.cat0;c8qi01404c2_ASR_pacman,[C2Cu1O4_Type-1].[C4Cu2O8_Type-1].[N][C][=C][Branch2][Ring2][Branch2][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lil.cat0;c8qi01404c2_ASR_pacman,12.06834,10.9241,12.06767,0.611163,2273.15,1916.27,3135.45,0,0,0,8994.05,0.7582,1.24058,0,0,0,3,lil,unnamed,lil,unnamed,2,3,-C 2bc 2,64,Cu,Yes,Cu,PACMAN-DDEC6,10.59685515,0.861763185,0.033999721,0.958807745,0.062898775,1.012794537,0.071936095,0.001510314,0.415845425,412,SI,10.1039/C8QI01404C,2020,2020/3/12,RSC,All Solvent Removed,FALSE,342.9,0.3631057,0.345,superstrong_high_loading,
456,2019[Cu][mrc]3[ASR]1,c8qm00029h2_ASR_pacman,-,unknown,[C4Cu2O8_Type-1].[Cu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][OH0] MOFid-v2.mrc.cat0;c8qm00029h2_ASR_pacman,6.44914,4.98557,6.44588,1.08887,821.487,1689.68,1551.77,0,0,0,2924.85,0.6016,0.552498,0,0,0,3,mrc,unnamed,mrc,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,13.06565515,0.796684306,0.022194238,0.886370826,0.033302979,0.948230019,0.049984694,0.001515457,0.346685053,244,SI,10.1039/C8QM00029H,2019,2019/3/28,RSC,All Solvent Removed,FALSE,308.4,0.547417,0.62,weak,
457,2019[In][bpq]3[ASR]2,c8ra08522f2_ASR_pacman,-,unknown,[In1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;c8ra08522f2_ASR_pacman,6.7048,6.22727,6.70073,1.41086,469.631,1525.62,1081.34,0,0,0,1782.33,0.579,0.410387,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-C 2bc 2,64,In,No,N/A,PACMAN-DDEC6,16.346558,0.696884283,0.017645349,0.775643428,0.030049838,0.823124567,0.030410596,0.001262403,0.323376432,160,SI,10.1039/C8RA08522F,2019,2019/1/15,RSC,All Solvent Removed,FALSE,351.9,0.8215488,0.592038462,strong,
458,2018[Zn][bcu]3[ASR]1,c8sc00021b2_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1NC1=NC(=[N]=C([N]1)Nc1cc(ccc1C(=O)[O-])C(=O)[O-])Nc1cccc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.bcu-f,unknown.cat0;c8sc00021b2_ASR_pacman",unknown,16.8948,8.02784,16.8948,0.676953,1323.62,1926.6,2845.98,0,0,0,5228.28,0.761,1.12416,0,0,0,3,bcu-f,unnamed,unnamed,unnamed,1,3,I 4,79,Zn,Yes,Zn,PACMAN-DDEC6,12.28378281,0.820074691,0.018438838,0.912271747,0.037176141,0.978671619,0.050907033,0.001585969,0.34858344,228,SI,10.1039/C8SC00021B,2018,2018/2/21,RSC,All Solvent Removed,FALSE,353.9,0.7443563,0.82,weak,
459,2018[CuZr][she]3[ASR]1,c8sc04435j2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Cu]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)C(=O)[O-])cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.she.cat0;c8sc04435j2_ASR_pacman,unknown,25.91648,14.4538,25.91648,0.455109,4417,1553.81,3414.14,0,0,0,24106,0.848,1.86329,0,0,0,3,she,unnamed,sqc13549,unnamed,1,3,-I 4 2 3,229,"Cu,Zr",Yes,"Cu,Zr",PACMAN-DDEC6,13.76499958,0.713079022,0.028536803,0.794163809,0.042944162,0.856571112,0.05011935,0.001434921,0.285715667,566,SI,10.1039/C8SC04435J,2018,2018/11/21,RSC,All Solvent Removed,FALSE,403.9,0.90507734,0.84,none,
460,2019[Cu][pcu]3[ASR]1,c8ta01412d2_8_ASR_pacman,-,C(Cn1cnnn1)Cn1cnnn1.[Cu] MOFid-v1.pcu.cat1;c8ta01412d2_8_ASR_pacman,[Cu1_Type-1].[C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][N][C][=N][N][=N][Ring1][Branch1] MOFid-v2.pcu.cat1;c8ta01412d2_8_ASR_pacman,4.90578,3.35404,4.62625,1.26602,373.471,589.209,465.404,0,0,0,2962.62,0.4674,0.36919,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-I 2 2c,72,Cu,No,N/A,PACMAN-DDEC6,9.438404063,0.959151421,0.039516011,1.092997713,0.045605934,1.169362391,0.033648642,0.00210211,0.33809878,512,SI,10.1039/C8TA01412D,2019,2019/3/8,RSC,All Solvent Removed,FALSE,304.6,0.13584748,0.775,weak,
461,2019[Zn][utp]3[ASR]1,c8ta02857e2_ASR_pacman,-,[Zn].c1ncn(c1)c1ccc(cc1)N(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.utp.cat1;c8ta02857e2_ASR_pacman,[Zn1_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.utp.cat1;c8ta02857e2_ASR_pacman,8.48692,7.9488,8.43055,0.885577,1099.53,1440.32,1626.42,0,0,0,4800.22,0.6288,0.710045,0,0,0,3,utp,unnamed,utp,unnamed,2,3,-P 2a 2bc,52,Zn,Yes,Zn,PACMAN-DDEC6,9.087188214,0.899321927,0.053217647,0.9872164,0.098492222,1.053797256,0.100838483,0.001544753,0.439448211,448,SI,10.1039/C8TA02857E,2019,2019/4/25,RSC,All Solvent Removed,FALSE,341.3,0.53150743,0.62,weak,
462,2019[Cu][nan]3[ASR]3,c8ta04498h2_ASR_pacman,-,O=C1N([C]2C(=NN=C2C)C)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)[C]1C(=NN=C1C)C.[Cu]1[OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH][Cu][OH]1 MOFid-v1.unknown.cat0;c8ta04498h2_ASR_pacman,[C60Cu12H84N24O12_Type-1].[O][=C][N][Branch1][N][CH0][C][=Branch1][#Branch1][=N][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Ring1][=C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][CH0][C][=Branch1][#Branch1][=N][N][=C][Ring1][Branch1][C][C] MOFid-v2.UNKNOWN.cat0;c8ta04498h2_ASR_pacman,9.0116,6.2013,7.1862,1.11923,708.171,1296.63,1158.51,4.70852,8.62112,7.70272,3141.52,0.5752,0.513925,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 3,143,Cu,Yes,Cu,PACMAN-DDEC6,10.95586286,0.88734902,0.0244185,0.984632891,0.059452861,1.044097188,0.06401241,0.001567482,0.42340778,336,SI,10.1039/C8TA04498H,2019,2019/9/20,RSC,All Solvent Removed,TRUE,354,0.9352185,0.85,weak,
463,2019[Cu][nan]3[ASR]4,c8ta06923a2_1_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c8ta06923a2_1_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ta06923a2_1_ASR_pacman,10.48635,6.7463,10.48635,0.846448,1134.51,2015.01,2380.54,72.7568,129.223,152.665,3902.94,0.6932,0.818952,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4ab 2ab,90,Cu,Yes,Cu,PACMAN-DDEC6,12.812475,0.811173536,0.015160943,0.903754575,0.033768749,0.96708264,0.039622418,0.001559091,0.348321719,224,SI,10.1039/C8TA06923A,2019,2019/10/2,RSC,All Solvent Removed,FALSE,262,0.9383313,0.735,weak,
464,2019[Cu][lvt]3[ASR]1,c8ta06923a2_2_ASR_pacman,-,unknown,"[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.lvt,lil.cat0;c8ta06923a2_2_ASR_pacman",7.32024,5.03082,7.32024,0.831356,709.039,2473.74,2975.55,0,0,0,1941.61,0.6774,0.814813,0,0,0,3,lvt,unnamed,lil,unnamed,1,3,-I 2b 2,74,Cu,Yes,Cu,PACMAN-DDEC6,12.812475,0.810117098,0.015456524,0.900184045,0.03291649,0.972839388,0.043092061,0.001627223,0.32485216,112,SI,10.1039/C8TA06923A,2019,2019/10/2,RSC,All Solvent Removed,FALSE,251.4,0.9354981,0.655,weak,
465,2020[Co][nan]3[ASR]3,c8ta09080g2_ASR_pacman,-,[Co].[Co][O]([Co])[Co].[O-]C(=O)c1ccc(cn1)C(=O)[O-].n1ccc(cc1)c1cc(nc(c1)c1ccncc1)c1ccncc1 MOFid-v1.unknown.cat0;c8ta09080g2_ASR_pacman,[C2Co1O4_Type-2].[C6Co3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c8ta09080g2_ASR_pacman,10.68617,9.69952,10.6848,0.964058,821.474,1040.72,1079.53,218.608,276.955,287.28,4742.29,0.6008,0.623199,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 6c,176,Co,No,N/A,PACMAN-DDEC6,10.85911171,0.895575166,0.025173922,1.00656026,0.058255466,1.052694456,0.068028629,0.001571193,0.435025784,422,SI,10.1039/C8TA09080G,2020,2020/1/23,RSC,All Solvent Removed,TRUE,363.5,0.928869,0.816212121,weak,
466,2020[Sc][nan]3[ASR]1,c8ta10610j2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Sc]O[Sc] MOFid-v1.unknown.cat0;c8ta10610j2_2_ASR_pacman,[Sc2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8ta10610j2_2_ASR_pacman,6.81679,4.02175,6.80919,0.953061,399.408,1730.37,1815.6,0,0,0,1365.54,0.5916,0.620737,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Sc,Yes,Sc,PACMAN-DDEC6,10.85884039,0.893494606,0.0297695,1.014106915,0.04506282,1.078496946,0.059370299,0.001850023,0.347857965,122,SI,10.1039/C8TA10610J,2020,2020/1/24,RSC,All Solvent Removed,FALSE,464.7,0.92483485,0.55,none,
467,2020[Co][rob]3[ASR]1,c8ta10631b2_ASR_pacman,-,O=C(c1ccncc1)NN=Cc1ccncc1.[Co].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.rob.cat0;c8ta10631b2_ASR_pacman,[C4Co2O8_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.rob.cat0;c8ta10631b2_ASR_pacman,6.08907,3.5319,6.07808,1.18713,232.099,766.227,645.442,0,0,0,1398.84,0.4618,0.389004,0,0,0,3,rob,unnamed,rob,unnamed,2,3,-P 2yc,13,Co,No,N/A,PACMAN-DDEC6,9.843227545,0.931893818,0.035525391,1.065364049,0.056625643,1.117199265,0.07741653,0.001853054,0.389583313,220,SI,10.1039/C8TA10631B,2020,2020/1/7,RSC,All Solvent Removed,TRUE,415.8,0.83000576,0.989545455,weak,
468,2020[Co][nan]2[ASR]2,c8ta12092g2_ASR_pacman,-,[Co].n1n[nH]c(n1)c1ccc(cc1)C1=C2C=CC(=C(c3ccc(cc3)c3[nH]nnn3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccc(cc1)c1[nH]nnn1)[N]4)c1ccc(cc1)c1[nH]nnn1)C=C3)[N]2 MOFid-v1.ERROR.cat0;c8ta12092g2_ASR_pacman,[Co1_Type-1].[N][=N][NH1][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][#Branch1][#C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][NH1][N][=N][N][=Ring1][Branch1][C][=N][C][=Branch2][Branch1][#C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][O][=C][N][=C][Ring2][Ring1][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][NH1][N][=N][N][=Ring1][Branch1][NH0][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][NH1][N][=N][N][=Ring1][Branch1][C][=C][Ring2][Ring2][#Branch1][NH0][Ring2][Branch1][Branch2] MOFid-v2.ERROR.cat0;c8ta12092g2_ASR_pacman,5.24103,3.51737,4.99848,1.1714,261.828,978.474,835.304,0,0,0,1337.4,0.4998,0.42667,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.729929021,0.895242562,0.029995237,1.014697682,0.062693663,1.088556666,0.073809396,0.001933141,0.322899611,194,SI,10.1039/C8TA12092G,2020,2020/1/29,RSC,All Solvent Removed,TRUE,476.3,0.90098464,0.6,weak,
469,2019[In][nan]3[ASR]2,c8tc01571f2_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c8tc01571f2_ASR_pacman,[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8tc01571f2_ASR_pacman,6.66333,6.44658,6.66333,1.04616,934.495,1598.31,1527.79,0,0,0,3449.59,0.59,0.563967,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,In,No,N/A,PACMAN-DDEC6,11.29905718,0.825743388,0.028993644,0.929096426,0.053477689,0.980712605,0.069081143,0.001549692,0.369458548,326,SI,10.1039/C8TC01571F,2019,2019/5/22,RSC,All Solvent Removed,TRUE,377.6,0.90869707,0.61,strong,
470,2019[Zn][bbf]3[ASR]1,c8tc02425a2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].n1ncn[nH]1 MOFid-v1.bbf,unknown.cat0;c8tc02425a2_ASR_pacman","[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=N][C][=N][NH1][Ring1][Branch1] MOFid-v2.bbf,UNKNOWN.cat0;c8tc02425a2_ASR_pacman",5.73229,4.20006,5.69836,0.920894,524.809,2437.14,2646.49,0,0,0,1459.99,0.678,0.736241,0,0,0,3,bbf,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.98001739,0.803239889,0.023218094,0.897788895,0.039437543,0.959363996,0.051423123,0.001561241,0.340363219,92,SI,10.1039/C8TC02425A,2019,2019/7/16,RSC,All Solvent Removed,TRUE,338.5,0.38478848,0.508571429,strong,
471,2019[Zr][scu]3[ASR]2,c8tc03036g4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c(c1)c1cc(cc(c1[nH]2)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.scu.cat0;c8tc03036g4_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu.cat0;c8tc03036g4_ASR_pacman,13.93085,11.69175,13.93085,0.603775,2201.27,2039.15,3377.34,0,0,0,8487.07,0.7862,1.30214,2.15901,0.0002,0.000331249,3,scu,unnamed,scu,unnamed,1,3,-I 2 2,71,Zr,Yes,Zr,PACMAN-DDEC6,12.7437174,0.755616843,0.032407915,0.841196248,0.046182779,0.909035236,0.055250456,0.001534184,0.298318403,308,SI,10.1039/C8TC03036G,2019,2019/9/10,RSC,All Solvent Removed,FALSE,373.2,0.9271315,0.96,none,
472,2019[Co][nan]3[ASR]7,c8tc03356k2_2_ASR_pacman,-,NC1=NN=C([N]1)N.NC1=[N]=C(N=N1)N.[Co].[O-]C(=O)c1cc(nc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ERROR.cat0;c8tc03356k2_2_ASR_pacman,unknown,6.62081,2.52169,6.61251,1.4611,0,0,0,227.794,908.397,621.723,1257.33,0.5014,0.343167,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,13.29182861,0.812434418,0.025509196,0.918619997,0.037982774,0.964841102,0.046622612,0.001524067,0.365208449,166,SI,10.1039/C8TC03356K,2019,2019/10/11,RSC,All Solvent Removed,FALSE,369.6,0.82354,0.63952381,weak,
473,2019[Co][nan]3[ASR]8,c8tc03356k2_3_ASR_pacman,-,NC1=NN=C([N]1)N.NC1=[N]=C(N=N1)N.[Co].[O-]C(=O)c1cc(nc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ERROR.cat0;c8tc03356k2_3_ASR_pacman,unknown,6.69036,2.58208,6.69013,1.44077,0,0,0,246.296,968.512,672.22,1279.65,0.5032,0.349259,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,13.29182861,0.803796203,0.024650559,0.918404149,0.040070612,0.960182414,0.045483871,0.001563862,0.346775853,166,SI,10.1039/C8TC03356K,2019,2019/10/11,RSC,All Solvent Removed,TRUE,365.9,0.8246611,0.63952381,weak,
474,2020[Zn][nan]3[ASR]7,c8tc05956j3_ASR_pacman,-,[O-]C(=O)c1cc(Oc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c8tc05956j3_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c8tc05956j3_ASR_pacman,5.01483,2.84606,4.98407,1.36643,0,0,0,410.995,960.144,702.666,2270.41,0.5304,0.388164,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ac 2ab,61,Zn,Yes,Zn,PACMAN-DDEC6,13.54718277,0.794042468,0.017357744,0.887335203,0.032376946,0.944492856,0.037750862,0.001504504,0.348713819,260,SI,10.1039/C8TC05956J,2020,2020/1/28,RSC,All Solvent Removed,TRUE,346.8,0.7872956,0.72,weak,
475,2020[Cd][nan]3[ASR]2,c9an01204d2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)O)[C]1N[N]C(=N1)c1cc(cc(c1)C(=O)O)C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])[C]1N[N]C(=N1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c9an01204d2_ASR_pacman,[C11Cd4H3O22_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][CH0][N][NH0][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][CH0][N][NH0][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9an01204d2_ASR_pacman,5.10831,3.00785,5.09305,1.56842,0,0,0,475.086,686.774,437.875,3331.54,0.4816,0.30706,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2c -2n,33,Cd,Yes,Cd,PACMAN-DDEC6,14.08160517,0.739259375,0.013925303,0.83260702,0.032013685,0.890265086,0.035231387,0.001510057,0.292190504,464,SI,10.1039/C9AN01204D,2020,2020/8/24,RSC,All Solvent Removed,FALSE,400.2,0.78442746,0.62,unknown,
476,2020[Zr][hex]3[ASR]1,c9cc00802k2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.ERROR.cat0;c9cc00802k2_ASR_pacman,[C12O32Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9cc00802k2_ASR_pacman,8.89938,5.56526,8.89938,1.10193,974.326,1947.44,1767.29,0,0,0,3162.97,0.6322,0.573719,2.00125,0.0004,0.000362999,3,hex,unnamed,hex,unnamed,1,3,-P 6c 2c,194,Zr,No,N/A,PACMAN-DDEC6,15.09117236,0.751367884,0.008086619,0.823004623,0.007767481,0.902077074,0.015352624,0.001507092,0.298001031,220,SI,10.1039/C9CC00802K,2020,2020/4/25,RSC,All Solvent Removed,TRUE,327.6,0.8459042,0.92,weak,
477,2020[Zn][nan]3[ASR]8,c9cc02405k2_1_ASR_pacman,-,NC1=C2[N]C=[N]=C2[N]C=N1.NC1=NC=[N]=C2C1=NC=N2.[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Zn]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)C(=O)[O-])cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn]O[Zn].[Zn][Zn] MOFid-v1.unknown.cat0;c9cc02405k2_1_ASR_pacman,unknown,16.87479,10.45402,16.67621,0.511629,4053.66,1925.67,3763.79,0,0,0,16735.3,0.795,1.55386,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,11.1437622,0.830096295,0.032865187,0.922333364,0.053935833,0.985186822,0.064937012,0.001550905,0.369721984,582,SI,10.1039/C9CC02405K,2020,2020/4/30,RSC,All Solvent Removed,FALSE,366.1,0.72167695,0.663076923,unknown,
478,2020[Zn][nan]3[ASR]9,c9cc02439e2_1_ASR_pacman,-,CCOc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c9cc02439e2_1_ASR_pacman,[Zn1_Type-1].[C][C][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9cc02439e2_1_ASR_pacman,6.98194,5.60229,6.98194,1.36836,338.852,850.605,621.625,0,0,0,1931.28,0.4848,0.354294,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,11.39781333,0.869866342,0.031893228,0.963426305,0.056066364,1.006943159,0.063758984,0.001370768,0.46697641,288,SI,10.1039/C9CC02439E,2020,2020/5/3,RSC,All Solvent Removed,FALSE,393.3,0.92485416,0.61,weak,
479,2020[Zn][nan]3[ASR]10,c9cc02439e2_2_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1CCCC1.[Zn] MOFid-v1.unknown.cat0;c9cc02439e2_2_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][C][C][C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;c9cc02439e2_2_ASR_pacman,7.25206,5.23684,7.25206,1.49695,112.23,564.684,377.224,0,0,0,856.205,0.4308,0.287785,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""",166,Zn,Yes,Zn,PACMAN-DDEC6,10.2965531,0.892389502,0.045274684,0.978906595,0.064659831,1.034376845,0.07139503,0.001419873,0.471601949,174,SI,10.1039/C9CC02439E,2020,2020/5/3,RSC,All Solvent Removed,TRUE,347.6,0.8231964,0.51,weak,
480,2020[Ni][dia]3[ASR]1,c9cc02819f2_5_ASR_pacman,-,unknown,unknown,8.26266,7.05303,8.26266,0.805392,768.182,1756.69,2181.16,0,0,0,2740.94,0.6268,0.778254,0,0,0,3,dia,unnamed,ths,unnamed,1,3,-C 2yc,15,Ni,No,N/A,PACMAN-DDEC6,8.033729394,1.100784793,0.059672207,1.216868569,0.091993296,1.33055948,0.081421188,0.002297747,0.411859544,264,SI,10.1039/C9CC02819F,2020,2020/5/24,RSC,All Solvent Removed,TRUE,320.5,0.3473547,0.77,strong,
481,2020[Zn][nan]3[ASR]11,c9cc04446a2_1_ASR_pacman,-,[O-]C(=O)C1=CC2=NN=NC2=C[CH]1.[O-]C(=O)C1=C[C]2C(=NN=N2)C=C1.[O-]C(=O)c1ccc2c(c1)[N]N=N2.[O].[Zn] MOFid-v1.unknown.cat0;c9cc04446a2_1_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][CH0][C][=Branch1][=Branch1][=N][N][=N][Ring1][Branch1][C][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH0][N][=N][Ring1][=Branch1].[OH0] MOFid-v2.UNKNOWN.cat0;c9cc04446a2_1_ASR_pacman,4.03404,3.63636,4.03404,1.85988,40.969,416.846,224.126,0,0,0,422.225,0.4296,0.230983,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,15.72497257,0.719499261,0.010673695,0.809353459,0.020518449,0.850804258,0.026630405,0.00131305,0.333651501,70,SI,10.1039/C9CC04446A,2020,2020/8/14,RSC,All Solvent Removed,FALSE,501.4,0.9630712,0.668241135,strong,
482,2020[Zn][nan]3[ASR]12,c9cc04446a2_3_ASR_pacman,-,[O-]C(=O)[C]1C=CC2=NN=NC2=C1.[O-]C(=O)c1ccc2c(c1)[N]N=N2.[OH].[Zn] MOFid-v1.unknown.cat0;c9cc04446a2_3_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][CH0][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH0][N][=N][Ring1][=Branch1].[OH1] MOFid-v2.UNKNOWN.cat0;c9cc04446a2_3_ASR_pacman,4.72948,4.20723,4.72948,1.7212,86.6843,813.243,472.486,0,0,0,484.988,0.455,0.26435,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,14.9294573,0.731354334,0.01616826,0.825281988,0.024774856,0.873770757,0.032278204,0.001424164,0.31167821,74,SI,10.1039/C9CC04446A,2020,2020/8/14,RSC,All Solvent Removed,FALSE,490.9,0.93776053,0.618241135,weak,
483,2020[Zn][nan]3[ASR]13,c9cc04446a2_4_ASR_pacman,-,[O-]C(=O)C1=C[C]2C(=NN=N2)C=C1.[O-]C(=O)[C]1C=CC2=NN=NC2=C1.[O-]C(=O)c1ccc2=N[N]N=c2c1.[OH].[Zn] MOFid-v1.unknown.cat0;c9cc04446a2_4_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][CH0][C][=Branch1][=Branch1][=N][N][=N][Ring1][Branch1][C][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][CH0][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][C][=C][C][=N][NH0][N][=C][Ring1][Branch1][C][=Ring1][=Branch2].[OH1] MOFid-v2.UNKNOWN.cat0;c9cc04446a2_4_ASR_pacman,6.82151,5.80512,6.80153,1.46035,349.473,1390.88,952.428,0,0,0,1361.84,0.542,0.371145,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,14.9294573,0.731828861,0.016749812,0.833883242,0.027459858,0.875423466,0.032197405,0.001435946,0.311130737,148,SI,10.1039/C9CC04446A,2020,2020/8/14,RSC,All Solvent Removed,FALSE,486.5,0.91067713,0.598241135,weak,
484,2020[Zn][nan]3[ASR]14,c9cc04446a2_5_ASR_pacman,-,[O-]C(=O)C1=CC2=NN=N[C]2C=C1.[O-]C(=O)C1=CC=C2C(=NN=N2)[CH]1.[OH].[Zn] MOFid-v1.unknown.cat0;c9cc04446a2_5_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][CH0][Ring1][Branch1][C][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][=Branch1][=N][N][=N][Ring1][Branch1][CH1][Ring1][=Branch2].[OH1] MOFid-v2.UNKNOWN.cat0;c9cc04446a2_5_ASR_pacman,4.80099,4.24264,4.79674,1.75109,89.0374,849.823,485.312,0,0,0,491.169,0.4688,0.267719,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,14.9294573,0.723149203,0.016674366,0.823281341,0.029502276,0.861298361,0.034158591,0.001381492,0.31905425,74,SI,10.1039/C9CC04446A,2020,2020/8/14,RSC,All Solvent Removed,TRUE,494.7,0.9331262,0.618241135,weak,
485,2020[Zn][nan]3[ASR]15,c9cc04446a2_6_ASR_pacman,-,[O-]C(=O)C1=CC2=NN=N[C]2C=C1.[O-]C(=O)C1=CC=C2C(=NN=N2)[CH]1.[O-]C(=O)C1=C[CH]C2=NN=NC2=C1.[OH].[Zn] MOFid-v1.unknown.cat0;c9cc04446a2_6_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][CH0][Ring1][Branch1][C][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][=Branch1][=N][N][=N][Ring1][Branch1][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][CH1][C][=N][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2].[OH1] MOFid-v2.UNKNOWN.cat0;c9cc04446a2_6_ASR_pacman,6.95277,5.98087,6.95277,1.43309,355.143,1387.05,967.879,0,0,0,1417.95,0.5538,0.386439,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,14.9294573,0.730108164,0.015838567,0.832422621,0.025976585,0.874565336,0.032152147,0.001444572,0.306765271,148,SI,10.1039/C9CC04446A,2020,2020/8/14,RSC,All Solvent Removed,FALSE,484.4,0.90887725,0.608241135,weak,
486,2020[Fe][pts]3[ASR]1,c9cc04999a2_3_ASR_pacman,-,Cl[Fe][O]([Fe]Cl)([Fe]Cl)([Fe]Cl)([Fe]Cl)[Fe]Cl.[Fe].[O]CC(c1ccncc1)(C[O])C[O] MOFid-v1.pts.cat1;c9cc04999a2_3_ASR_pacman,[Cl6Fe6O1_Type-1].[Fe1_Type-1].[OH0][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][Ring1][C][OH0][C][OH0] MOFid-v2.pts.cat1;c9cc04999a2_3_ASR_pacman,6.95143,4.41404,6.94893,1.20742,1192.34,1617.05,1339.27,0,0,0,4201.43,0.5698,0.471916,1.4747,0.0002,0.000165643,3,pts,unnamed,pts,unnamed,2,3,C 2 2 -1bc,68,Fe,Yes,Fe,PACMAN-DDEC6,12.6448566,0.814391303,0.032556388,0.876669328,0.056672909,0.918643274,0.066441524,0.00104252,0.505019402,424,SI,10.1039/C9CC04999A,2020,2020/8/9,RSC,All Solvent Removed,FALSE,295.2,0.9352145,0.7,strong,
487,2020[U][hcb]2[ASR]2,c9cc05455c2_1_ASR_pacman,-,[O-]C(=O)C(=O)[O-].[U] MOFid-v1.ERROR.cat0;c9cc05455c2_1_ASR_pacman,[U1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9cc05455c2_1_ASR_pacman,5.53669,4.08743,5.53669,1.58284,509.088,3278.34,2071.17,0,0,0,1126.46,0.7254,0.458289,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 2ybc,14,U,Yes,U,PACMAN-DDEC6,37.005741,0.387309013,0.015067293,0.407164432,0.014894698,0.426160475,0.019417199,0.000388515,0.270897857,40,SI,10.1039/C9CC05455C,2020,2020/8/31,RSC,All Solvent Removed,FALSE,481.7,0.90706486,0.5705,none,
488,2020[U][hcb]2[ASR]3,c9cc05455c2_2_ASR_pacman,-,[O-]C(=O)C(=O)[O-].[U] MOFid-v1.ERROR.cat0;c9cc05455c2_2_ASR_pacman,[U1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9cc05455c2_2_ASR_pacman,5.5795,4.2018,5.5795,1.5717,505.72,3233.73,2057.47,0,0,0,1137.89,0.7276,0.462937,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 2ybc,14,U,Yes,U,PACMAN-DDEC6,37.005741,0.386229733,0.014699582,0.408777517,0.014113766,0.428811556,0.019243574,0.000425818,0.258903224,40,SI,10.1039/C9CC05455C,2020,2020/8/31,RSC,All Solvent Removed,FALSE,483,0.9065769,0.5705,none,
489,2020[Zn][bey]2[ASR]1,c9cc05498g2_ASR_pacman,-,[O-]C(=O)C1=CC(=CN([CH]1)Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.bey.cat0;c9cc05498g2_ASR_pacman,[C3O6Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#C][=C][N][Branch1][Ring2][CH1][Ring1][=Branch1][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.bey.cat0;c9cc05498g2_ASR_pacman,5.33318,4.51857,5.33318,1.2193,116.531,857.82,703.536,0,0,0,660.753,0.4864,0.398918,0,0,0,2,bey,unnamed,bey,unnamed,1,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,10.84189609,0.906339256,0.026046957,1.024786886,0.057264027,1.067439512,0.063807489,0.001611003,0.435670991,92,SI,10.1039/C9CC05498G,2020,2020/8/10,RSC,All Solvent Removed,FALSE,357.4,0.8667458,0.765857143,strong,
490,2020[Zn][tfz]3[ASR]1,c9cc06739f2_1_ASR_pacman,-,O=C1N(c2ccncc2)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)c1ccncc1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.tfz-d.cat1;c9cc06739f2_1_ASR_pacman,[C6O12Zn3_Type-1].[O][=C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Ring1][=N][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.tfz-d.cat1;c9cc06739f2_1_ASR_pacman,9.51234,6.58632,9.51234,0.872302,4105.33,1812.4,2077.73,0,0,0,14474.2,0.639,0.732544,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,2,3,P 2 2 -1ab,50,Zn,Yes,Zn,PACMAN-DDEC6,10.40087608,0.877731826,0.031469112,1.004707547,0.04650445,1.063159221,0.06525384,0.001854274,0.332870319,1144,SI,10.1039/C9CC06739F,2020,2020/9/27,RSC,All Solvent Removed,TRUE,363.4,0.6110895,0.8492,weak,
491,2020[Zn][tfz]3[ASR]2,c9cc06739f2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.tfz-d.cat1;c9cc06739f2_2_ASR_pacman,[C6O12Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.tfz-d.cat1;c9cc06739f2_2_ASR_pacman,9.12982,7.14176,9.12087,0.95221,2482.17,1424.25,1495.73,0,0,0,10481.1,0.6014,0.631583,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,2,3,P 2 2 -1ab,50,Zn,Yes,Zn,PACMAN-DDEC6,10.15585366,0.881614327,0.037403501,0.987083283,0.069848667,1.037301497,0.080602386,0.001556872,0.42376128,984,SI,10.1039/C9CC06739F,2020,2020/9/27,RSC,All Solvent Removed,TRUE,358.7,0.8054358,0.773076923,strong,
492,2020[Zn][qtz]3[ASR]1,c9cc06849j2_1_ASR_pacman,-,[O-]C(=O)c1ccncc1N.[Zn] MOFid-v1.qtz.cat0;c9cc06849j2_1_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N] MOFid-v2.qtz.cat0;c9cc06849j2_1_ASR_pacman,7.5175,7.32289,7.5175,1.28441,134.513,1021.17,795.046,0,0,0,671.005,0.5094,0.396602,0,0,0,3,qtz,unnamed,qtz,unnamed,2,3,P 62,171,Zn,No,N/A,PACMAN-DDEC6,10.95523226,0.89324951,0.037002144,1.018787087,0.069435006,1.049055358,0.075708706,0.001558058,0.441710185,93,SI,10.1039/C9CC06849J,2020,2020/10/9,RSC,All Solvent Removed,TRUE,352.3,0.8929114,0.572846582,weak,
493,2020[Zn][dia]3[ASR]1,c9cc06849j2_2_ASR_pacman,-,[O-]C(=O)c1ccncc1N.[Zn] MOFid-v1.dia.cat0;c9cc06849j2_2_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N] MOFid-v2.dia.cat0;c9cc06849j2_2_ASR_pacman,5.15766,4.14913,5.13354,1.04759,384.673,1786.39,1705.23,0,0,0,1287.28,0.5978,0.570641,0,0,0,3,dia,unnamed,dia,unnamed,2,3,P 2 2ab,18,Zn,No,N/A,PACMAN-DDEC6,10.95523226,0.874898216,0.034004363,0.998406953,0.062439953,1.040462333,0.073562362,0.001655641,0.391781424,124,SI,10.1039/C9CC06849J,2020,2020/10/9,RSC,All Solvent Removed,TRUE,342.5,0.8142303,0.483418011,strong,
494,2021[Ag][nan]3[ASR]1,c9cc08402a2_ASR_pacman,-,CC([S])(C)C.[Ag][Ag][Ag][Ag][Ag][Ag].[O-]C(=O)c1c(F)c(F)c(c(c1F)F)C(=O)[O-] MOFid-v1.ERROR.cat0;c9cc08402a2_ASR_pacman,unknown,9.76235,8.74983,9.75824,1.38549,505.467,1700.56,1227.41,0,0,0,1826.81,0.6146,0.443598,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 2b 2c,24,Ag,Yes,Ag,PACMAN-DDEC6,15.89747504,0.633375319,0.027984003,0.672373391,0.060119527,0.688870782,0.061954803,0.000554955,0.470639039,156,SI,10.1039/C9CC08402A,2021,2021/1/10,RSC,All Solvent Removed,TRUE,318.9,0.9707938,0.74,none,
495,2020[CuSb][sql]2[ASR]1,c9cc08443f2_3_ASR_pacman,-,I[Cu][Cu]I.[O]CC(c1ccncc1)(C[O])C[O].[Sb] MOFid-v1.ERROR.cat0;c9cc08443f2_3_ASR_pacman,[Cu2I2_Type-1].[Sb1_Type-1].[OH0][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][Ring1][C][OH0][C][OH0] MOFid-v2.ERROR.cat0;c9cc08443f2_3_ASR_pacman,9.81656,8.96763,9.81656,1.25967,258.576,1458.22,1157.62,0,0,0,1094.08,0.617,0.489811,0,0,0,2,sql,unnamed,sql,unnamed,1,2,-C 2y,12,"Cu,Sb",Yes,Cu,PACMAN-DDEC6,13.72595245,0.675954525,0.030540628,0.733759811,0.059748972,0.782102514,0.06689461,0.00106148,0.359087654,98,SI,10.1039/C9CC08443F,2020,2020/11/22,RSC,All Solvent Removed,TRUE,128.6,0.9339752,0.751574468,weak,
496,2021[NiW][hcb]2[ASR]1,c9cc09008h2_1_ASR_pacman,-,O1[W]23O[W]45O[W]61O[W]17O[W]8(O3)O[W]3(O2)O[W]2(O5)O[W]5(O4)O[W](O6)(O1)[O]1[Ni]46[O]7[Ni]7[O]8[Ni]8([O]3[Ni]3[O]2[Ni]2([O]5[Ni]1[O]62)[O]83)[O]47.[O-]C(=O)c1cc(cc(c1)S([O])([O])[O])C(=O)[O-] MOFid-v1.hcb.cat1;c9cc09008h2_1_ASR_pacman,unknown,14.763,10.54169,14.71059,1.68701,4101.46,1695.05,1004.77,0,0,0,16468.2,0.6806,0.403435,0,0,0,2,hcb,unnamed,hcb,unnamed,2,2,-C 2y,12,"Ni,W",Yes,W,PACMAN-DDEC6,26.15155227,0.467791439,0.012133595,0.517478669,0.018103532,0.536432176,0.015647845,0.000686407,0.266991517,940,SI,10.1039/C9CC09008H,2021,2021/1/22,RSC,All Solvent Removed,FALSE,309.9,0.70454943,0.86,none,
497,2021[Pb][llj]2[ASR]1,c9cc09664g2_1_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)n1cncc1)C(=O)[O-].[Pb] MOFid-v1.fes.cat0;c9cc09664g2_1_ASR_pacman,[C4O8Pb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fes.cat0;c9cc09664g2_1_ASR_pacman,3.58998,2.74204,3.58821,2.29138,0,0,0,5.15728,40.6771,17.7523,493.197,0.389,0.169767,0,0,0,2,llj,unnamed,llj,unnamed,1,2,-P 1,2,Pb,Yes,Pb,PACMAN-DDEC6,18.22401417,0.549164676,0.015300038,0.616721247,0.031133945,0.647114397,0.036588379,0.000979497,0.261509413,96,SI,10.1039/C9CC09664G,2021,2021/2/3,RSC,All Solvent Removed,FALSE,341.5,0.8846769,0.386666667,strong,
498,2021[ZnPb][llj]3[ASR]1,c9cc09664g2_2_ASR_pacman,-,"[O-]C(=O)c1ccc(c(c1)n1cncc1)C(=O)[O-].[Pb].[Zn] MOFid-v1.ant,bey.cat0;c9cc09664g2_2_ASR_pacman","[C8O16Pb2Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ant,bey.cat0;c9cc09664g2_2_ASR_pacman",4.69165,3.22734,4.56152,1.64147,0,0,0,154.3,1040.51,633.89,741.76,0.5002,0.304727,0,0,0,3,llj,unnamed,llj,unnamed,1,2,-P 1,2,"Zn,Pb",Yes,"Zn,Pb",PACMAN-DDEC6,15.26943083,0.652108169,0.017770112,0.723180135,0.032977096,0.773489869,0.042482499,0.001213817,0.291423442,96,SI,10.1039/C9CC09664G,2021,2021/2/3,RSC,All Solvent Removed,FALSE,405.3,0.9146662,0.485708061,strong,
499,2020[Zn][bbf]3[ASR]1,c9ce00005d2_ASR_pacman,-,unknown,"[C2O4Zn1_Type-1].[C][Branch1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][C][N][C][=N][C][=C][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Branch1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O-1] MOFid-v2.bbf,UNKNOWN.cat0;c9ce00005d2_ASR_pacman",4.53308,3.49171,4.42212,1.25677,158.708,618.094,491.811,0,0,0,1155.98,0.4502,0.35822,0,0,0,3,bbf,unnamed,unnamed,unnamed,3,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,8.996688519,0.972791064,0.048035019,1.090936718,0.081068738,1.133603658,0.092650362,0.001608126,0.502933067,216,SI,10.1039/C9CE00005D,2020,2020/2/18,RSC,All Solvent Removed,FALSE,330.4,0.94774413,0.3155,strong,
500,2020[Zn][sql]2[ASR]1,c9ce00073a2_6_ASR_pacman,-,unknown,unknown,8.04199,6.84939,8.03136,1.34828,710.809,1250.35,927.367,0.107785,0.189599,0.140623,3216.5,0.5658,0.419645,1.13697,0.0002,0.000148337,2,sql,unnamed,sql,unnamed,4,3,P 2yb,4,Zn,Yes,Zn,PACMAN-DDEC6,15.18322278,0.777471653,0.008715428,0.869101916,0.018976178,0.942703656,0.018582346,0.00165232,0.284780396,304,SI,10.1039/C9CE00073A,2020,2020/2/22,RSC,All Solvent Removed,FALSE,253.4,0.17629042,0.7892,unknown,
501,2020[Zn][nan]3[ASR]16,c9ce00098d2_1_ASR_pacman,-,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;c9ce00098d2_1_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9ce00098d2_1_ASR_pacman,11.72528,10.94185,11.72528,1.2148,210.843,1582.61,1302.77,0,0,0,895.803,0.6724,0.553505,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,18.04766,0.673729754,0.007859666,0.754863028,0.014324072,0.800922165,0.016650857,0.001271924,0.297998211,54,SI,10.1039/C9CE00098D,2020,2020/2/14,RSC,All Solvent Removed,FALSE,379.5,0.9391357,0.309904762,weak,
502,2020[Mg][nan]3[ASR]1,c9ce00098d2_2_ASR_pacman,-,[Mg].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;c9ce00098d2_2_ASR_pacman,[Mg3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9ce00098d2_2_ASR_pacman,11.69438,10.88135,11.69438,0.912549,206.831,1561.05,1710.65,0,0,0,868.9,0.6558,0.718646,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Mg,Yes,Mg,PACMAN-DDEC6,13.48377111,0.817637359,0.026645493,0.977136721,0.020384855,1.050929772,0.028360091,0.002332924,0.132044506,54,SI,10.1039/C9CE00098D,2020,2020/2/14,RSC,All Solvent Removed,FALSE,428.3,0.6947347,0.2,strong,
503,2020[Cd][hcb]2[ASR]1,c9ce00113a1_ASR_pacman,-,CCC(Oc1cc(c(cc1c1ccncc1)OC(CC)C)c1ccncc1)C.[Cd] MOFid-v1.hcb.cat0;c9ce00113a1_ASR_pacman,unknown,4.68036,2.65083,4.68036,1.25706,0,0,0,75.0934,354.778,282.227,966.031,0.4564,0.363068,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,P 1,1,Cd,No,N/A,PACMAN-DDEC6,8.614599785,1.013616155,0.050840422,1.132486717,0.073020641,1.239249662,0.062104127,0.002256335,0.33873357,186,SI,10.1039/C9CE00113A,2020,2020/3/4,RSC,All Solvent Removed,FALSE,341.2,0.7346257,0.75,unknown,
504,2020[Co][hxl]2[ASR]1,c9ce00129h2_2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;c9ce00129h2_2_ASR_pacman,unknown,4.52917,3.15863,4.06442,1.33738,0,0,0,133.157,555.388,415.281,1087.53,0.4536,0.339171,0,0,0,2,hxl,unnamed,hxl,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,10.84795848,0.890952858,0.029002257,1.012036238,0.042519785,1.075001022,0.055707228,0.001840482,0.348494801,178,SI,10.1039/C9CE00129H,2020,2020/3/12,RSC,All Solvent Removed,FALSE,328.6,0.70480967,0.61047619,weak,
505,2020[Zn][nan]3[ASR]17,c9ce00227h2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)C1=C[N]N=C1.n1ccc(cc1)[C]1C=NN=C1 MOFid-v1.pcu.cat1;c9ce00227h2_1_ASR_pacman,[C8H4N4O4Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][NH0][N][=C][Ring1][Branch1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][C][=N][N][=C][Ring1][Branch1] MOFid-v2.pcu.cat1;c9ce00227h2_1_ASR_pacman,6.35126,3.89746,6.30302,1.1595,750.148,1122.68,968.24,0,0,0,3721.76,0.557,0.480379,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ab 2ac,56,Zn,Yes,Zn,PACMAN-DDEC6,11.21503154,0.847200513,0.028929737,0.953911905,0.059684072,0.994539115,0.072929911,0.001473386,0.416198735,416,SI,10.1039/C9CE00227H,2020,2020/2/27,RSC,All Solvent Removed,TRUE,400.9,0.92316806,0.86,weak,
506,2020[Co][nan]2[ASR]3,c9ce00371a2_2_ASR_pacman,-,[Co][OH2][Co].[O-]C(=O)c1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;c9ce00371a2_2_ASR_pacman,[C8Co4H4O18_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9ce00371a2_2_ASR_pacman,6.81117,3.35123,4.82683,1.10096,171.521,353.352,320.949,365.56,753.095,684.035,2454.23,0.5056,0.459236,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,9.247958046,0.959623755,0.040435785,1.077106362,0.061403062,1.154541781,0.061421831,0.00194918,0.38154421,348,SI,10.1039/C9CE00371A,2020,2020/4/17,RSC,All Solvent Removed,FALSE,326.3,0.6104683,0.5,strong,
507,2020[Cu][sql]2[ASR]3,c9ce00371a2_3_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1cccc(c1)CN(Cc1cccc(c1)C(=O)[O-])Cc1ccc(cc1)CN(Cc1cccc(c1)C(=O)[O-])Cc1cccc(c1)C(=O)[O-] MOFid-v1.sql,mcm.cat0;c9ce00371a2_3_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql,mcm.cat0;c9ce00371a2_3_ASR_pacman",5.89219,4.68009,5.88995,1.07871,317.898,1297.52,1202.84,0,0,0,1344.59,0.5488,0.508755,0,0,0,2,sql,unnamed,mcm,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.473603333,0.939806951,0.038490223,1.065250393,0.053252828,1.140555098,0.058241527,0.002007481,0.345918965,168,SI,10.1039/C9CE00371A,2020,2020/4/17,RSC,All Solvent Removed,FALSE,273.8,0.8366796,0.66,weak,
508,2020[Cu][sql]2[ASR]4,c9ce00371a2_4_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-] MOFid-v1.sql,bex.cat1;c9ce00371a2_4_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql,bex.cat1;c9ce00371a2_4_ASR_pacman",7.91934,5.67788,7.91934,0.791477,1444.48,2162.91,2732.75,0,0,0,4450.48,0.6664,0.841971,0,0,0,2,sql,unnamed,bex,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.473603333,0.92873732,0.040616706,1.033527558,0.060900569,1.113976062,0.060334876,0.001852387,0.37707805,336,SI,10.1039/C9CE00371A,2020,2020/4/17,RSC,All Solvent Removed,FALSE,264.8,0.81285644,0.68,weak,
509,2020[Cd][nan]3[ASR]3,c9ce00371a2_5_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c9ce00371a2_5_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9ce00371a2_5_ASR_pacman,8.1647,6.44559,8.1647,1.18247,600.833,1197.1,1012.37,0,0,0,2770.53,0.552,0.466818,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,10.63705571,0.839441059,0.034644087,0.94431173,0.051910609,1.010803566,0.050951314,0.001713625,0.331750013,336,SI,10.1039/C9CE00371A,2020,2020/4/17,RSC,All Solvent Removed,FALSE,293.1,0.79374635,0.51,weak,
510,2020[Co][nan]3[ASR]4,c9ce00418a4_1_ASR_pacman,-,[Co][Co].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].n1ccc(cc1)CN1CCN(CC1)Cc1ccncc1 MOFid-v1.unknown.cat0;c9ce00418a4_1_ASR_pacman,[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c9ce00418a4_1_ASR_pacman,5.72885,3.8313,5.70465,1.09146,1421.66,1299.78,1190.87,0.0189376,0.0173141,0.0158632,5755.39,0.5262,0.482106,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.360873229,0.952615871,0.042502679,1.053772849,0.076037741,1.105028729,0.086849116,0.001524129,0.503694147,768,SI,10.1039/C9CE00418A,2020,2020/5/8,RSC,All Solvent Removed,TRUE,377.5,0.954149,0.626571429,weak,
511,2020[Cu][bcs]3[ASR]1,c9ce00421a2_4_ASR_pacman,-,O=CC1=CN=N[CH]1.O=CC1=C[N]N=C1.O=C[C]1C=NN=C1.[Cu][O]([Cu])[Cu] MOFid-v1.bcs.cat0;c9ce00421a2_4_ASR_pacman,[C9Cu3H6N6O1_Type-1].[O][=C][C][=C][N][=N][CH1][Ring1][Branch1].[O][=C][C][=C][NH0][N][=C][Ring1][Branch1].[O][=C][CH0][C][=N][N][=C][Ring1][Branch1] MOFid-v2.bcs.cat0;c9ce00421a2_4_ASR_pacman,6.81528,6.08875,6.79376,0.965779,3329.12,2460.25,2547.43,0,0,0,9415.31,0.6958,0.720454,0,0,0,3,bcs,unnamed,bcs,unnamed,1,3,I -4bd 2c 3,220,Cu,Yes,Cu,PACMAN-DDEC6,14.46693118,0.730840734,0.025012678,0.789449322,0.043618749,0.85240268,0.054658345,0.001215619,0.365430765,544,SI,10.1039/C9CE00421A,2020,2020/4/12,RSC,All Solvent Removed,FALSE,384.5,0.6067231,0.63,strong,
512,2020[Zn][pcu]3[ASR]2,c9ce00825j2_4_ASR_pacman,-,unknown,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;c9ce00825j2_4_ASR_pacman,9.17583,8.64048,9.17583,1.0131,417.999,1091.82,1077.71,0,0,0,2114.07,0.5522,0.545061,0,0,0,3,pcu,unnamed,pcu,unnamed,4,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,9.123688438,0.953060187,0.043371664,1.05303348,0.085664815,1.119569555,0.097941857,0.001665094,0.459104953,256,SI,10.1039/C9CE00825J,2020,2020/7/25,RSC,All Solvent Removed,TRUE,373.8,0.53267074,0.738,weak,
513,2020[Cd][sql]2[ASR]3,c9ce00988d2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)O)N1[CH]N=C[N]1.[O-]C(=O)c1ccc(cc1)C(n1cncn1)c1ccc(cc1)C(=O)O MOFid-v1.sql.cat1;c9ce00988d2_2_ASR_pacman,unknown,5.31056,4.33584,5.28858,1.06706,388.179,1170.66,1097.09,0,0,0,1778.65,0.5364,0.502691,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,9.428111504,0.932128581,0.038264822,1.046566684,0.0749161,1.107001167,0.0913718,0.001748726,0.416511432,226,SI,10.1039/C9CE00988D,2020,2020/8/9,RSC,All Solvent Removed,FALSE,373,0.92450225,0.58,weak,
514,2020[Cd][pcu]3[ASR]2,c9ce00998a2_4_ASR_pacman,-,CC(=NN=C(c1ccncc1)C)c1ccncc1.C[C](c1ccncc1)[N][N][C](c1ccncc1)C.[Cd].[O]S(c1cccc(c1)S([O])([O])[O])([O])[O] MOFid-v1.pcu.cat1;c9ce00998a2_4_ASR_pacman,[Cd1_Type-1].[C][C][=Branch1][#C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[C][CH0][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][NH0][CH0][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C].[OH0][S][Branch2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][Branch1][C][OH0][Branch1][C][OH0][OH0][Branch1][C][OH0][OH0] MOFid-v2.pcu.cat1;c9ce00998a2_4_ASR_pacman,4.95457,3.98467,4.95457,1.26932,187.586,868.802,684.462,0,0,0,1020.84,0.4728,0.372483,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,9.942275663,0.916506868,0.039062571,1.018678444,0.080528835,1.066100477,0.091739442,0.001495936,0.476850957,166,SI,10.1039/C9CE00998A,2020,2020/12/6,RSC,All Solvent Removed,TRUE,314.5,0.9525994,0.66962963,none,
515,2020[Cd][pcu]3[ASR]3,c9ce00998a2_5_ASR_pacman,-,CC(=NN=C(c1ccncc1)C)c1ccncc1.C[C](c1ccncc1)[N][N][C](c1ccncc1)C.[Cd].[O]S(c1cccc(c1)S([O])([O])[O])([O])[O] MOFid-v1.pcu.cat1;c9ce00998a2_5_ASR_pacman,[Cd1_Type-1].[C][C][=Branch1][#C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[C][CH0][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][NH0][CH0][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C].[OH0][S][Branch2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][Branch1][C][OH0][Branch1][C][OH0][OH0][Branch1][C][OH0][OH0] MOFid-v2.pcu.cat1;c9ce00998a2_5_ASR_pacman,5.12055,4.28801,4.95112,1.2824,194.748,911.267,710.596,0,0,0,998.032,0.467,0.364162,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,9.942275663,0.914740755,0.039558444,1.014601977,0.080502993,1.062574931,0.091503306,0.001478342,0.47988627,166,SI,10.1039/C9CE00998A,2020,2020/12/6,RSC,All Solvent Removed,TRUE,316.5,0.9498993,0.66962963,none,
516,2020[Cu][nan]3[ASR]2,c9ce01018a2_1_ASR_pacman,-,unknown,"[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,mfj.cat0;c9ce01018a2_1_ASR_pacman",12.01795,6.64379,12.00877,0.69055,1780.36,2330.85,3375.35,0,0,0,5687.44,0.7446,1.07827,0,0,0,3,unnamed,unnamed,mfj,unnamed,1,3,C 2c -2,36,Cu,Yes,Cu,PACMAN-DDEC6,12.60480952,0.80487024,0.020841619,0.890789055,0.033452339,0.958884276,0.046608901,0.00154014,0.345798729,252,SI,10.1039/C9CE01018A,2020,2020/9/20,RSC,All Solvent Removed,FALSE,299.7,0.93649673,0.354142857,weak,
517,2020[Cu][kgm]2[ASR]1,c9ce01035a2_ASR_pacman,-,CN(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C.[Cu][Cu] MOFid-v1.kgm.cat0;c9ce01035a2_ASR_pacman,[C4Cu2O8_Type-1].[C][N][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C] MOFid-v2.kgm.cat0;c9ce01035a2_ASR_pacman,6.65873,6.2066,6.65873,1.3407,192.79,958.251,714.738,0,0,0,989.452,0.4918,0.366823,0,0,0,2,kgm,unnamed,kgm,unnamed,1,3,"-P 3 2""",164,Cu,Yes,Cu,PACMAN-DDEC6,10.8291504,0.910737017,0.027273885,0.994755925,0.051007732,1.084121183,0.048054989,0.001733842,0.38969346,150,SI,10.1039/C9CE01035A,2020,2020/8/23,RSC,All Solvent Removed,FALSE,255.6,0.76587445,0.391,weak,
518,2020[Cu][sql]2[ASR]5,c9ce01041f2_1_ASR_pacman,-,[Cu][OH][Cu].[O-]C(=O)C.n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat1;c9ce01041f2_1_ASR_pacman,unknown,3.78171,3.0048,3.78171,1.27306,0,0,0,149.833,249.908,196.305,2858.67,0.4768,0.37453,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2ab,61,Cu,Yes,Cu,PACMAN-DDEC6,9.906124483,0.910101231,0.049339471,1.012903974,0.073371672,1.078036555,0.074085325,0.001679353,0.412573617,464,SI,10.1039/C9CE01041F,2020,2020/7/26,RSC,All Solvent Removed,FALSE,238.5,0.8906461,0.656431611,strong,
519,2020[Cd][hcb]2[ASR]2,c9ce01045a2_2_ASR_pacman,-,unknown,unknown,4.44149,3.49683,4.4345,1.44129,75.6758,828.007,574.491,0,0,0,451.492,0.494,0.342749,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,13.22115733,0.756357952,0.019158653,0.853386499,0.046472662,0.887883987,0.050502025,0.00131526,0.372201684,60,SI,10.1039/C9CE01045A,2020,2020/8/1,RSC,All Solvent Removed,FALSE,378.4,0.9471812,0.418786765,strong,
520,2020[Cd][fes]2[ASR]1,c9ce01087d2_ASR_pacman,-,OC(=O)c1ccc(cc1c1ncccc1C(=O)[O-])C(=O)[O-].[Cd] MOFid-v1.fes.cat0;c9ce01087d2_ASR_pacman,[C2Cd1O4_Type-1].[O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.fes.cat0;c9ce01087d2_ASR_pacman,6.07712,4.50995,6.0724,1.09274,511.638,2116.9,1937.24,0,0,0,1483.02,0.6136,0.561523,0,0,0,2,fes,unnamed,fes,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,13.71101655,0.75588199,0.02044974,0.851180313,0.037052762,0.903706311,0.044073426,0.001478243,0.319537743,116,SI,10.1039/C9CE01087D,2020,2020/9/12,RSC,All Solvent Removed,FALSE,372.9,0.896014,0.469411765,strong,
521,2020[ZnGd][sqp]3[ASR]1,c9ce01107b2_ASR_pacman,-,[Gd].[O-]C(=O)c1cccc(c1)C1=C2C=CC(=C(c3ccc(cc3)C(=O)[O-])C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccc(cc1)C(=O)[O-])[N]4)c1cccc(c1)C(=O)[O-])C=C3)[N]2.[O-]C=O.[Zn] MOFid-v1.ERROR.cat0;c9ce01107b2_ASR_pacman,[C4Gd1O8_Type-1].[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][#Branch1][Branch2][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=N][C][=Branch2][Branch1][O][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][O][=C][N][=C][Ring2][Ring1][O][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH0][Ring2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring2][Ring1][NH0][Ring2][Branch1][C].[O-1][C][=O] MOFid-v2.ERROR.cat0;c9ce01107b2_ASR_pacman,7.12981,4.09174,6.66707,1.10693,913.838,1447.11,1307.32,0,0,0,3623.5,0.5738,0.518369,0,0,0,3,sqp,unnamed,unnamed,unnamed,1,3,-P 2yc,13,"Zn,Gd",Yes,Zn,PACMAN-DDEC6,11.69304,0.791776212,0.027112352,0.9029145,0.04037875,0.956021138,0.056524737,0.001642449,0.308713381,360,SI,10.1039/C9CE01107B,2020,2020/8/1,RSC,All Solvent Removed,TRUE,388,0.27065954,0.837692308,strong,
522,2020[Pr][nan]3[ASR]2,c9ce01245a2_1_ASR_pacman,-,O=N(=O)c1cc(ccc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Pr] MOFid-v1.unknown.cat0;c9ce01245a2_1_ASR_pacman,unknown,9.00205,4.40372,9.00205,1.40849,797.384,1201.45,853.008,0,0,0,3583.89,0.54,0.383389,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 3,147,Pr,Yes,Pr,PACMAN-DDEC6,15.13282871,0.701341941,0.013093819,0.783007103,0.03048096,0.825257777,0.035329043,0.001239158,0.336163514,372,SI,10.1039/C9CE01245A,2020,2020/11/23,RSC,All Solvent Removed,FALSE,368.2,0.27112502,0.92962963,none,
523,2020[Co][nan]3[ASR]5,c9ce01309a2_3_ASR_pacman,-,unknown,[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9ce01309a2_3_ASR_pacman,9.05552,7.88042,9.05263,1.04794,718.389,1250.12,1192.93,0,0,0,3101.99,0.5398,0.515107,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,10.07360344,0.90048095,0.033016591,0.997166077,0.064456248,1.053798488,0.073727786,0.001533175,0.447203787,360,SI,10.1039/C9CE01309A,2020,2020/11/29,RSC,All Solvent Removed,FALSE,423.9,0.7218815,0.823076923,superstrong_high_loading,
524,2020[Cd][nan]3[ASR]4,c9ce01332f2_3_ASR_pacman,-,O=C(NCc1cccnc1)CCCCCCC(=O)NCc1cccnc1.[Cd].[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-] MOFid-v1.unknown.cat0;c9ce01332f2_3_ASR_pacman,[C4Cd2O8_Type-1].[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9ce01332f2_3_ASR_pacman,6.31819,4.66502,6.31819,1.43358,373.295,799.583,557.754,0,0,0,2030.85,0.435,0.303437,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,10.28178898,0.871563625,0.031416013,0.984081928,0.042841133,1.056025085,0.046770435,0.001844615,0.324941769,392,SI,10.1039/C9CE01332F,2020,2020/11/7,RSC,All Solvent Removed,FALSE,311.8,0.5072839,0.660045455,strong,
525,2020[Zn][sql]2[ASR]2,c9ce01567a2_1_ASR_pacman,-,unknown,unknown,5.35578,4.72548,5.35578,1.09315,297.812,1583.14,1448.24,0,0,0,1102.35,0.586,0.536067,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,12.14040745,0.822351031,0.006775253,0.926413023,0.007554402,1.030970883,0.006513875,0.002086199,0.196408831,102,SI,10.1039/C9CE01567A,2020,2020/11/20,RSC,All Solvent Removed,FALSE,354.4,0.914169,0.14,strong,
526,2020[Zn][nan]2[ASR]1,c9ce01567a2_3_ASR_pacman,-,unknown,unknown,6.56099,4.66938,5.82209,0.935651,613.135,1870.32,1998.95,0,0,0,1967.59,0.6002,0.641479,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,10.14884198,0.9147936,0.009378413,1.029185075,0.011905145,1.150464893,0.009609392,0.002356713,0.206631663,182,SI,10.1039/C9CE01567A,2020,2020/11/20,RSC,All Solvent Removed,FALSE,287.6,0.70990026,0.68,weak,
527,2020[CeCu][nan]2[ASR]1,c9ce01582e2_ASR_pacman,-,I[Cu]1(I)[Cu][Cu]1(I)I.I[Cu]1[Cu]([Cu]1(I)I)(I)I.[Ce].[O-]C(=O)c1ccc(cc1)N1[CH]C=C(C=C1)c1ccncc1 MOFid-v1.ERROR.cat1;c9ce01582e2_ASR_pacman,[C4Ce1O8_Type-1].[Cu6I9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][CH1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat1;c9ce01582e2_ASR_pacman,5.52909,3.39426,5.24983,2.07776,312.897,353.518,170.144,85.9572,97.1162,46.7408,3791.75,0.4284,0.206184,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 2ybc,14,"Ce,Cu",Yes,"Ce,Cu",PACMAN-DDEC6,18.70736318,0.527666231,0.016342486,0.587001002,0.030056824,0.617971161,0.037748608,0.000903049,0.261478876,592,SI,10.1039/C9CE01582E,2020,2020/12/4,RSC,All Solvent Removed,FALSE,339.6,0.9132342,0.37,none,
528,2020[Cu][nbo]3[ASR]1,c9ce01675a2_1_ASR_pacman,-,"O=Cc1ccc(cc1[O])c1ccncc1.[Cu] MOFid-v1.unknown,nbo.cat0;c9ce01675a2_1_ASR_pacman","[Cu1_Type-1].[O][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][OH0][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN,nbo.cat0;c9ce01675a2_1_ASR_pacman",10.63307,10.00815,10.63307,0.979363,279.568,1194.96,1220.14,0,0,0,1341.98,0.5736,0.585687,0,0,0,3,nbo,unnamed,nbo,unnamed,2,3,-R 3,148,Cu,No,N/A,PACMAN-DDEC6,9.785975319,0.912158205,0.041679296,1.026868419,0.068813845,1.084030429,0.076504594,0.001718722,0.406132907,141,SI,10.1039/C9CE01675A,2020,2020/11/21,RSC,All Solvent Removed,TRUE,259.4,0.86521435,0.79,none,
529,2020[Zn][sql]2[ASR]3,c9ce01675a2_3_ASR_pacman,-,"O=Cc1ccc(cc1[O])c1ccncc1.[Zn] MOFid-v1.sql,ERROR.cat1;c9ce01675a2_3_ASR_pacman",unknown,5.10201,4.50206,5.10201,1.20147,105.637,827.569,688.794,1.50544,11.7938,9.8161,628.789,0.4926,0.409996,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,9.824996596,0.912799786,0.045231744,1.034788119,0.067513463,1.094636227,0.083706778,0.001818364,0.377647166,94,SI,10.1039/C9CE01675A,2020,2020/11/21,RSC,All Solvent Removed,TRUE,255.3,0.54514,0.699588465,weak,
530,2020[Co][nbo]3[ASR]1,c9ce01675a2_5_ASR_pacman,-,"O=Cc1ccc(cc1[O])c1ccncc1.[Co] MOFid-v1.unknown,nbo.cat0;c9ce01675a2_5_ASR_pacman","[Co1_Type-1].[O][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][OH0][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN,nbo.cat0;c9ce01675a2_5_ASR_pacman",11.21785,10.48012,11.21785,0.908128,311.66,1247.75,1373.98,0,0,0,1477.69,0.5916,0.65145,0,0,0,3,nbo,unnamed,nbo,unnamed,2,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.687830532,0.918930886,0.040694291,1.013907085,0.081211192,1.067243208,0.082606049,0.001483123,0.480933933,141,SI,10.1039/C9CE01675A,2020,2020/11/21,RSC,All Solvent Removed,TRUE,199.7,0.9250335,0.809545455,weak,
531,2020[Cd][apo]3[ASR]1,c9ce01691k2_4_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.apo.cat0;c9ce01691k2_4_ASR_pacman,[C6Cd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.apo.cat0;c9ce01691k2_4_ASR_pacman,6.58089,5.84984,6.57291,1.22093,687.211,1976.67,1618.98,0,0,0,2171.49,0.6246,0.511576,0,0,0,3,apo,unnamed,apo,unnamed,1,3,-P 2n 2ab,60,Cd,No,N/A,PACMAN-DDEC6,16.81723789,0.686834913,0.009519802,0.756198686,0.020892231,0.80994054,0.025247692,0.001231056,0.320121686,152,SI,10.1039/C9CE01691K,2020,2020/12/17,RSC,All Solvent Removed,FALSE,364.3,0.91700596,0.6605,weak,
532,2020[Cd][kgd]2[ASR]2,c9ce01846h2_ASR_pacman,-,unknown,unknown,6.26168,4.12981,6.2474,1.14101,348.109,1437.07,1259.48,0,0,0,1334.23,0.5508,0.482731,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,11.17079758,0.814946034,0.029619969,0.911594296,0.05607739,0.973682962,0.07105352,0.001587369,0.344495182,149,SI,10.1039/C9CE01846H,2020,2020/12/27,RSC,All Solvent Removed,TRUE,408.7,0.6016899,0.87,weak,
533,2021[Cu][sql]2[ASR]1,c9ce01940e2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)C=Cc1ccnc2c1cccc2 MOFid-v1.sql.cat1;c9ce01940e2_ASR_pacman,unknown,4.5981,3.70181,4.37494,1.23582,353.874,715.741,579.164,44.5132,90.0318,72.8519,2320.79,0.4694,0.379829,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-P 2ab 2ac,56,Cu,No,N/A,PACMAN-DDEC6,9.785975319,0.91299489,0.040106837,1.00857676,0.076562932,1.070986149,0.086788674,0.001579913,0.444549862,376,SI,10.1039/C9CE01940E,2021,2021/1/20,RSC,All Solvent Removed,FALSE,355.1,0.8474133,0.857001069,weak,
534,2021[Zn][srs]3[ASR]1,c9ce02006c2_6_ASR_pacman,-,[O-]C(=O)c1cncc(c1)C(=O)[O-].[Zn] MOFid-v1.srs.cat0;c9ce02006c2_6_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.srs.cat0;c9ce02006c2_6_ASR_pacman,6.10528,5.07966,6.09859,0.837968,529.671,2899.11,3459.69,0,0,0,1309.24,0.7166,0.855164,0,0,0,3,srs,unnamed,srs,unnamed,1,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,14.40518875,0.764820426,0.017161009,0.859363892,0.026816968,0.921283695,0.033956632,0.001564633,0.300867894,64,SI,10.1039/C9CE02006C,2021,2021/2/7,RSC,All Solvent Removed,FALSE,337.1,0.36675146,0.29,strong,
535,2020[Zn][nan]2[ASR]2,c9dt00081j2_1_ASR_pacman,-,unknown,[Zn1_Type-1].[C][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][OH0][OH0][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][OH0][OH0][O] MOFid-v2.UNKNOWN.cat0;c9dt00081j2_1_ASR_pacman,6.95249,6.24282,6.95249,1.409,257.195,1818.14,1290.38,0,0,0,884.695,0.6254,0.443861,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,18.18584752,0.701802877,0.014470683,0.768007822,0.028999156,0.807760402,0.029884474,0.001059575,0.388339029,66,SI,10.1039/C9DT00081J,2020,2020/2/21,RSC,All Solvent Removed,FALSE,488,0.20203471,0.35,superstrong_high_loading,
536,2020[Zn][nan]3[ASR]18,c9dt00081j2_2_ASR_pacman,-,unknown,[Zn1_Type-1].[C][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][OH0][OH0][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][OH0][OH0][O].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c9dt00081j2_2_ASR_pacman,3.99019,2.7368,3.92245,1.81941,0,0,0,25.5216,311.453,171.184,337.936,0.4124,0.226667,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,14.02801325,0.769614678,0.019892736,0.855332209,0.03028516,0.905463295,0.035245922,0.001358486,0.367999904,64,SI,10.1039/C9DT00081J,2020,2020/2/21,RSC,All Solvent Removed,FALSE,400.4,0.6885333,0.33,superstrong_high_loading,
537,2020[Co][nan]3[ASR]6,c9dt00115h2_1_ASR_pacman,-,NC1=N[N]C(=N1)N.NC1=[N]=C(N=N1)N.[Co].[Co][Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c9dt00115h2_1_ASR_pacman,unknown,8.12547,6.11997,8.11902,1.03447,293.996,1689.07,1632.78,0,0,0,1082.64,0.622,0.601271,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2y,12,Co,No,N/A,PACMAN-DDEC6,12.60853698,0.840545296,0.02100725,0.94732084,0.042168865,0.997936318,0.047441022,0.00157391,0.377732249,86,SI,10.1039/C9DT00115H,2020,2020/3/25,RSC,All Solvent Removed,TRUE,299.9,0.4554632,0.833186278,weak,
538,2020[Co][nan]3[ASR]7,c9dt00115h2_4_ASR_pacman,-,unknown,unknown,8.41257,6.66027,8.41257,1.00593,308.097,1721.24,1711.09,0,0,0,1123.39,0.6276,0.623898,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2y,12,Co,No,N/A,PACMAN-DDEC6,12.60853698,0.840390935,0.020662743,0.947849539,0.042288929,0.996503203,0.047002222,0.001561123,0.381854953,86,SI,10.1039/C9DT00115H,2020,2020/3/25,RSC,All Solvent Removed,TRUE,298.1,0.45379674,0.833186278,weak,
539,2020[Eu][nan]3[ASR]3,c9dt00217k2_1_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c9dt00217k2_1_ASR_pacman,[C8Eu2O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9dt00217k2_1_ASR_pacman,7.19973,6.38685,7.19882,1.25383,570.433,1501.25,1197.33,0,0,0,2314.79,0.6092,0.48587,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 31 2""",152,Eu,No,N/A,PACMAN-DDEC6,15.42509806,0.688326208,0.015031251,0.759750395,0.03229932,0.813415772,0.034350023,0.001250896,0.316017319,186,SI,10.1039/C9DT00217K,2020,2020/2/18,RSC,All Solvent Removed,TRUE,469.2,0.12040436,0.817692308,weak,
540,2020[Tb][nan]3[ASR]2,c9dt00217k2_2_ASR_pacman,-,unknown,[C8O16Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9dt00217k2_2_ASR_pacman,7.20833,6.38384,7.20814,1.27052,577.242,1517.3,1194.23,0,0,0,2252.97,0.5922,0.466108,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 31 2""",152,Tb,No,N/A,PACMAN-DDEC6,15.64965774,0.676248932,0.014160169,0.749199259,0.031535627,0.797813998,0.034632238,0.001215651,0.315609668,186,SI,10.1039/C9DT00217K,2020,2020/2/18,RSC,All Solvent Removed,TRUE,465,0.11549285,0.697692308,weak,
541,2020[Ni][bey]2[ASR]1,c9dt00249a2_ASR_pacman,-,O=P(c1ccc(cc1)n1cncc1)(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1.[Ni].[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c9dt00249a2_ASR_pacman,[C1Ni1O2_Type-1].[O][=P][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9dt00249a2_ASR_pacman,7.0348,6.10182,7.0348,0.863322,435.522,1694.08,1962.28,0.0282895,0.110039,0.12746,1565.65,0.609,0.705415,0,0,0,2,bey,unnamed,bey,unnamed,2,2,-P 1,2,Ni,Yes,Ni,PACMAN-DDEC6,9.281756972,0.922989577,0.045094257,1.033406401,0.082322298,1.087275826,0.096964675,0.001642862,0.4395554,144,SI,10.1039/C9DT00249A,2020,2020/3/22,RSC,All Solvent Removed,FALSE,301.3,0.8594066,0.86,strong_high_loading,
542,2020[Cu][rob]3[ASR]1,c9dt00791a2_2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)CCCC(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.rob.cat0;c9dt00791a2_2_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;c9dt00791a2_2_ASR_pacman,4.7834,3.74703,4.7834,1.50997,77.9194,651.86,431.703,0,0,0,507.303,0.4244,0.281065,0,0,0,3,rob,unnamed,rob,unnamed,1,2,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,10.45141154,0.908499247,0.042616788,0.992328102,0.071231322,1.033303062,0.076893327,0.001248038,0.541230118,104,SI,10.1039/C9DT00791A,2020,2020/4/11,RSC,All Solvent Removed,FALSE,242.1,0.5842176,0.609324468,weak,
543,2020[Cu][rob]3[ASR]2,c9dt00791a2_3_ASR_pacman,-,unknown,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;c9dt00791a2_3_ASR_pacman,6.02392,5.75806,6.02392,1.33688,132.58,937.097,700.958,0,0,0,672.591,0.4754,0.355604,0,0,0,3,rob,unnamed,rob,unnamed,1,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,10.16983357,0.91820918,0.043042622,1.003664834,0.075621469,1.039901231,0.079288021,0.00121692,0.561336241,112,SI,10.1039/C9DT00791A,2020,2020/4/11,RSC,All Solvent Removed,TRUE,252.7,0.36262897,0.60022964,weak,
544,2020[Co][sql]2[ASR]3,c9dt00941h2_1_ASR_pacman,-,O=C(c1ccncc1)Nc1ccc(cc1)NC(=O)c1ccncc1.[Co].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c9dt00941h2_1_ASR_pacman,[C4Co2O8_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c9dt00941h2_1_ASR_pacman,5.77046,4.75025,5.76625,1.11271,214.219,1132.99,1018.23,0,0,0,960.496,0.508,0.456544,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,9.598073864,0.935100137,0.036530999,1.047396217,0.07347382,1.100073792,0.08631175,0.001649737,0.450115587,132,SI,10.1039/C9DT00941H,2020,2020/5/9,RSC,All Solvent Removed,FALSE,386.2,0.9032768,0.949545455,strong,
545,2020[Co][mab]3[ASR]1,c9dt00941h2_3_ASR_pacman,-,O=C(c1ccc(cc1)C(=O)Nc1ccncc1)Nc1ccncc1.[Co][Co].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.mab.cat1;c9dt00941h2_3_ASR_pacman,[C4Co2O8_Type-1].[O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.mab.cat1;c9dt00941h2_3_ASR_pacman,7.50262,5.69127,7.50262,1.01495,877.204,1412.99,1392.18,0,0,0,3471.58,0.5592,0.550963,0,0,0,3,mab,unnamed,mab,unnamed,2,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,10.09166372,0.916258366,0.034567676,1.044539493,0.052551561,1.095650873,0.071039617,0.001793925,0.39094247,376,SI,10.1039/C9DT00941H,2020,2020/5/9,RSC,All Solvent Removed,FALSE,356.8,0.94278705,0.715032967,weak,
546,2020[Co][nan]3[ASR]8,c9dt00968j2_ASR_pacman,-,Nc1cc(C(=O)[O-])c(c(c1)C(=O)[O-])C(=O)[O-].[Co].[OH2][Co].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;c9dt00968j2_ASR_pacman,unknown,5.14208,3.54214,5.14208,1.28942,274.505,1099.34,852.585,0,0,0,1183.58,0.474,0.367606,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,10.89281242,0.889409302,0.029482203,1.002824857,0.059984888,1.042337225,0.069579326,0.001529279,0.442942735,178,SI,10.1039/C9DT00968J,2020,2020/3/22,RSC,All Solvent Removed,TRUE,259.9,0.76432145,0.728,strong,
547,2020[Mn][nan]3[ASR]3,c9dt01050e2_4_ASR_pacman,-,[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c9dt01050e2_4_ASR_pacman,[Mn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9dt01050e2_4_ASR_pacman,4.86776,4.0167,4.86776,1.55795,137.582,820.962,526.95,0,0,0,701.182,0.4184,0.268558,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Mn,No,N/A,PACMAN-DDEC6,13.79234553,0.833959036,0.011935285,0.920055735,0.028600097,0.975687515,0.030483072,0.001417285,0.413851088,114,SI,10.1039/C9DT01050E,2020,2020/6/13,RSC,All Solvent Removed,FALSE,291.6,0.59746015,0.566190476,weak,
548,2020[Mn][ant]3[ASR]1,c9dt01249d2_ASR_pacman,-,"[Mn].[O-]C(=O)c1ccc(cc1c1cccc(n1)c1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.bey,unknown.cat0;c9dt01249d2_ASR_pacman","[C8Mn4O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.bey,UNKNOWN.cat0;c9dt01249d2_ASR_pacman",7.45612,4.57929,7.44689,1.02954,619.132,1870.03,1816.38,0,0,0,1938.15,0.5854,0.568605,0,0,0,3,ant,unnamed,unnamed,unnamed,1,3,-P 1,2,Mn,Yes,Mn,PACMAN-DDEC6,12.51644268,0.836330293,0.018099326,0.924494221,0.035701505,0.989713197,0.045758142,0.001533829,0.380005743,164,SI,10.1039/C9DT01249D,2020,2020/5/13,RSC,All Solvent Removed,FALSE,488.5,0.8935275,0.8,superstrong_high_loading,
549,2020[Zn][bey]2[ASR]2,c9dt01253b2_12_ASR_pacman,-,[O-]C(=O)c1cc(ccc1c1ccc(nc1)C(=O)[O-])C(=O)[O-].[Zn][OH][Zn] MOFid-v1.ERROR.cat1;c9dt01253b2_12_ASR_pacman,unknown,5.00069,3.24152,4.99338,1.41658,0,0,0,161.08,584.072,412.31,1251.53,0.4538,0.320348,0,0,0,2,bey,unnamed,bey,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,11.53238824,0.842117791,0.026417521,0.949185363,0.056117911,0.98910903,0.065346744,0.001469912,0.412334733,204,SI,10.1039/C9DT01253B,2020,2020/5/13,RSC,All Solvent Removed,FALSE,328.3,0.8746577,0.723873016,unknown,
550,2020[Co][nan]3[ASR]9,c9dt01544b2_2_ASR_pacman,-,C([NH2]Cc1cccnc1)CCC[NH2]Cc1cccnc1.[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;c9dt01544b2_2_ASR_pacman,unknown,6.55261,5.37267,6.535,0.700823,2168.85,2844.5,4058.8,0,0,0,5357.13,0.7026,1.00254,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ac 2ab,61,Co,No,N/A,PACMAN-DDEC6,9.810829146,0.948021407,0.041007387,1.056498867,0.072260452,1.087299417,0.075554822,0.00139278,0.543133527,328,SI,10.1039/C9DT01544B,2020,2020/6/3,RSC,All Solvent Removed,FALSE,349.9,0.33338648,0.56,strong,
551,2020[Zn][nan]3[ASR]19,c9dt01763a2_ASR_pacman,-,O=C1C(=O)C(=C1Nc1cccc(c1)C(=O)[O-])Nc1cccc(c1)C(=O)[O-].[O].[Zn] MOFid-v1.unknown.cat0;c9dt01763a2_ASR_pacman,[Zn1_Type-1].[Zn2_Type-1].[O][=C][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring2][=C][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.UNKNOWN.cat0;c9dt01763a2_ASR_pacman,9.21355,8.42973,9.21355,0.909023,589.135,1736.27,1910.04,0,0,0,2257.1,0.6652,0.731774,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.06107013,0.824270043,0.023553542,0.92954424,0.047037146,0.976724578,0.054017519,0.001524545,0.37658875,154,SI,10.1039/C9DT01763A,2020,2020/7/9,RSC,All Solvent Removed,FALSE,384.9,0.81686664,0.518518519,unknown,
552,2020[CuGd][nan]2[ASR]1,c9dt01859j2_2_ASR_pacman,-,unknown,unknown,6.55682,5.91257,6.55682,1.14679,432.847,2093.32,1825.37,0,0,0,1376.3,0.6656,0.580404,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,"Cu,Gd",Yes,"Cu,Gd",PACMAN-DDEC6,17.00011548,0.600629588,0.017859077,0.645924645,0.034823235,0.695723807,0.046611508,0.000950942,0.314596246,84,SI,10.1039/C9DT01859J,2020,2020/6/19,RSC,All Solvent Removed,FALSE,333.2,0.5360118,0.4705,superstrong_high_loading,
553,2020[Eu][flu]3[ASR]1,c9dt01907c2_ASR_pacman,-,"[Eu].[O-]C(=O)c1cc(cc(c1)NC(=O)c1ccc(cc1)C(=O)[O-])NC(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown,ERROR.cat0;c9dt01907c2_ASR_pacman","[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,ERROR.cat0;c9dt01907c2_ASR_pacman",7.19015,5.9208,7.19015,1.02537,343.016,1772.98,1729.11,0,0,0,1215.37,0.6282,0.612658,0,0,0,3,flu,unnamed,flt,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,12.70897702,0.763800809,0.023160599,0.86262535,0.037314442,0.904446474,0.048858305,0.001406457,0.351364386,94,SI,10.1039/C9DT01907C,2020,2020/7/11,RSC,All Solvent Removed,FALSE,337.3,0.89570737,0.87,superstrong_high_loading,
554,2020[Zn][sql]2[ASR]4,c9dt02224d2_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat1;c9dt02224d2_ASR_pacman,unknown,5.6888,4.41398,5.68812,1.13418,247.758,1319.51,1163.4,0,0,0,1037.97,0.5528,0.487399,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,11.05536414,0.867820189,0.028313328,0.966003865,0.058702037,1.017343766,0.069330402,0.001495236,0.427056749,116,SI,10.1039/C9DT02224D,2020,2020/7/10,RSC,All Solvent Removed,FALSE,391,0.48820263,0.597857143,weak,
555,2020[Co][tfz]3[ASR]1,c9dt02278c2_2_ASR_pacman,-,[Co][OH]1[Co][OH]([Co]1)[Co].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat0;c9dt02278c2_2_ASR_pacman,[C6Co4H2O14_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;c9dt02278c2_2_ASR_pacman,7.86791,7.10373,7.8647,0.8825,918.837,1942.93,2201.62,0,0,0,3019.07,0.6384,0.7234,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,10.83311741,0.869525176,0.031480971,0.967535687,0.059672659,1.017633641,0.063495794,0.001481085,0.433185205,232,SI,10.1039/C9DT02278C,2020,2020/8/9,RSC,All Solvent Removed,TRUE,340.9,0.90258664,0.791052632,strong,
556,2020[Co][hex]3[ASR]1,c9dt02278c2_3_ASR_pacman,-,[Co][OH]1[Co][OH2][Co]21[OH2][Co][OH]2[Co].[O-]C(=O)c1ccc(cc1)c1ccccc1C(=O)[O-].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.sql.cat0;c9dt02278c2_3_ASR_pacman,unknown,5.20441,4.15942,5.20426,1.29389,206.223,920.3,711.266,0,0,0,1018.68,0.4546,0.351343,0,0,0,3,hex,unnamed,hex,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,10.21066722,0.899708351,0.035186306,1.027145815,0.054212388,1.077932841,0.073394661,0.001782245,0.377809957,171,SI,10.1039/C9DT02278C,2020,2020/8/9,RSC,All Solvent Removed,TRUE,318.1,0.77548826,0.84,weak,
557,2020[Co][pts]3[ASR]1,c9dt02694k2_1_ASR_pacman,-,"[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.pts,tfi.cat0;c9dt02694k2_1_ASR_pacman","[C4Co1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.pts,tfi.cat0;c9dt02694k2_1_ASR_pacman",7.10963,5.99315,6.9874,0.75059,813.066,2385.56,3178.25,0,0,0,2423.29,0.711,0.947255,0,0,0,3,pts,unnamed,tfi,unnamed,1,3,-P 2yc,13,Co,No,N/A,PACMAN-DDEC6,12.42410435,0.857582231,0.018768173,0.97025101,0.031098478,1.024600449,0.039760094,0.001670182,0.366247469,124,SI,10.1039/C9DT02694K,2020,2020/8/23,RSC,All Solvent Removed,FALSE,329,0.44225913,0.535,weak,
558,2020[In][nan]3[ASR]1,c9dt02703c2_2_ASR_pacman,-,unknown,[C2In2O4_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1].[OH0][P][=Branch1][C][=O][Branch1][C][O][OH0] MOFid-v2.ERROR.cat0;c9dt02703c2_2_ASR_pacman,6.70334,4.95133,6.68682,1.80152,260.316,1641.21,911.013,0,0,0,899.966,0.5674,0.314956,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,In,Yes,In,PACMAN-DDEC6,23.89999189,0.605726875,0.008047452,0.658477956,0.010621213,0.698285287,0.010864175,0.000925584,0.330208929,72,SI,10.1039/C9DT02703C,2020,2020/7/29,RSC,All Solvent Removed,FALSE,270.4,0.22558537,0.707058824,superstrong_high_loading,
559,2020[Cd][sod]3[ASR]1,c9dt02820j2_ASR_pacman,-,"CC(=N[N]C(=O)c1ccncc1)C(=N[N]C(=O)c1ccncc1)C.[Cd] MOFid-v1.etb,unknown.cat0;c9dt02820j2_ASR_pacman","[Cd1_Type-1].[C][C][=Branch1][#C][=N][NH0][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][#C][=N][NH0][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C] MOFid-v2.etb,UNKNOWN.cat0;c9dt02820j2_ASR_pacman",13.51891,10.1478,13.51891,0.834782,936.339,1804.58,2161.74,0,0,0,3555.27,0.6852,0.820813,0,0,0,3,sod,unnamed,sod,unnamed,1,3,-R 3,148,Cd,Yes,Cd,PACMAN-DDEC6,11.14698359,0.813919664,0.034393833,0.895316003,0.068257819,0.94944575,0.077549159,0.001355261,0.411885837,234,SI,10.1039/C9DT02820J,2020,2020/9/24,RSC,All Solvent Removed,FALSE,361.1,0.7552841,0.58,weak,
560,2020[AlFe][rna]3[ASR]1,c9dt03489g2_ASR_pacman,-,[Al].[Fe].[O-]C(=O)C1=[C][C]=[C][C]1.[O] MOFid-v1.ERROR.cat0;c9dt03489g2_ASR_pacman,[Al1_Type-1].[C2Fe1_Type-1].[Fe1_Type-1].[O-1][C][=Branch1][C][=O][C][=CH0][CH0][=CH0][CH0][Ring1][Branch1].[OH0] MOFid-v2.ERROR.cat0;c9dt03489g2_ASR_pacman,4.02816,3.39035,3.99691,1.516,11.9664,177.956,117.385,0,0,0,285.115,0.424,0.279684,0,0,0,3,rna,unnamed,rna,unnamed,1,3,-P 1,2,"Al,Fe",No,N/A,PACMAN-DDEC6,16.15536519,0.865578245,0.022290346,0.941245015,0.01644474,1.013482846,0.014848676,0.001479046,0.422435932,38,SI,10.1039/C9DT03489G,2020,2020/10/16,RSC,All Solvent Removed,FALSE,412.1,0.64339477,0.16,weak,
561,2021[La][fsc]3[ASR]1,c9dt04229f2_ASR_pacman,-,[La].[O]P(=O)(C[NH]1CCC(CC1)C1CC[NH](CC1)CP(=O)([O])[O])[O] MOFid-v1.unknown.cat0;c9dt04229f2_ASR_pacman,unknown,6.13677,4.62909,6.13677,1.2986,330.913,1395.34,1074.5,0,0,0,1270.68,0.5358,0.412598,0,0,0,3,fsc,unnamed,sqc27,unnamed,1,3,-P 1,2,La,Yes,La,PACMAN-DDEC6,10.90956948,0.840655968,0.050791906,0.898552687,0.086956627,0.941592564,0.082148272,0.001009366,0.540322321,170,SI,10.1039/C9DT04229F,2021,2021/3/23,RSC,All Solvent Removed,FALSE,423,0.89408004,0.56,none,
562,2020[Co][nan]3[ASR]10,c9dt04295d2_1_ASR_pacman,-,[Co].[O-]C(=O)C1=CC2=NN=NC2=C[CH]1.[O-]C(=O)C1=C[CH]C2=NN=NC2=C1.[O-]C(=O)c1ccc2c(c1)[N]N=N2.[O] MOFid-v1.unknown.cat0;c9dt04295d2_1_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][CH1][C][=N][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH0][N][=N][Ring1][=Branch1].[OH0] MOFid-v2.UNKNOWN.cat0;c9dt04295d2_1_ASR_pacman,5.8318,4.99145,5.8318,1.48421,148.691,1251.34,843.105,0,0,0,601.732,0.5064,0.341192,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,15.17238929,0.742907516,0.013176987,0.826345456,0.025741843,0.870960672,0.031013524,0.001280532,0.3652185,70,SI,10.1039/C9DT04295D,2020,2020/12/4,RSC,All Solvent Removed,TRUE,479,0.9262504,0.67,strong,
563,2020[Co][nan]3[ASR]11,c9dt04295d2_2_ASR_pacman,-,[Co].[O-]C(=O)C1=CC2=NN=NC2=C[CH]1.[O-]C(=O)c1ccc2c(c1)[N]N=N2.[O] MOFid-v1.unknown.cat0;c9dt04295d2_2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH0][N][=N][Ring1][=Branch1].[OH0] MOFid-v2.UNKNOWN.cat0;c9dt04295d2_2_ASR_pacman,6.76674,5.73723,6.76674,1.39318,177.623,1403.14,1007.15,0,0,0,681.302,0.5382,0.38631,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,15.17238929,0.747155182,0.012638281,0.829620428,0.026775959,0.878176824,0.030742545,0.001310216,0.359741733,70,SI,10.1039/C9DT04295D,2020,2020/12/4,RSC,All Solvent Removed,TRUE,471.6,0.91516566,0.69,weak,
564,2020[Co][nan]3[ASR]12,c9dt04295d2_3_ASR_pacman,-,unknown,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][N][=N][C][Ring1][Branch1][=C][CH1][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][CH1][C][=N][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH0][N][=N][Ring1][=Branch1].[OH0] MOFid-v2.UNKNOWN.cat0;c9dt04295d2_3_ASR_pacman,6.8729,5.89681,6.8729,1.37675,181.657,1418.09,1030.03,0,0,0,696.35,0.5436,0.394842,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,15.17238929,0.74739955,0.013567528,0.830480949,0.025916842,0.879290117,0.030967664,0.001318906,0.357439886,70,SI,10.1039/C9DT04295D,2020,2020/12/4,RSC,All Solvent Removed,TRUE,470.7,0.9138938,0.69,weak,
565,2021[Pb][nan]3[ASR]1,c9dt04571f2_4_ASR_pacman,-,[O]P(=O)(C[NH](CP(=O)([O])[O])Cc1ccc(cc1)S([O])([O])[O])[O].[Pb] MOFid-v1.unknown.cat0;c9dt04571f2_4_ASR_pacman,unknown,3.34978,3.00336,3.33155,3.13877,0,0,0,0,0,0,505.055,0.3038,0.0967896,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Pb,Yes,Pb,PACMAN-DDEC6,22.44564183,0.487925516,0.012708126,0.541624989,0.019554697,0.571223691,0.025270178,0.000832982,0.242047782,140,SI,10.1039/C9DT04571F,2021,2021/2/7,RSC,All Solvent Removed,FALSE,344.7,0.31244177,0.5,none,
566,2021[Cu][sql]2[ASR]2,c9dt04836g2_ASR_pacman,-,[Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;c9dt04836g2_ASR_pacman,unknown,4.3525,3.79351,4.35198,1.27691,102.32,605.669,474.323,0,0,0,829.818,0.4912,0.384677,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,11.39540488,0.877142315,0.024817467,1.011733194,0.047248733,1.059178568,0.057465026,0.001820363,0.345557813,114,SI,10.1039/C9DT04836G,2021,2021/2/18,RSC,All Solvent Removed,FALSE,unknown,unknown,unknown,weak,
567,2020[Mn][kgd]2[ASR]1,c9me00133f2_2_ASR_pacman,-,Cl[Mn]Cl.c1ncn(c1)c1ccc(cc1)N(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat1;c9me00133f2_2_ASR_pacman,[Cl4Mn2_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat1;c9me00133f2_2_ASR_pacman,7.41556,5.52,7.41556,0.970864,597.82,1534.74,1580.8,0,0,0,2202.38,0.5654,0.582368,0,0,0,2,kgd,unnamed,kgd,unnamed,2,3,-P 1,2,Mn,No,N/A,PACMAN-DDEC6,9.816320431,0.896962017,0.041014027,0.99901951,0.079941213,1.045555041,0.088568156,0.00148593,0.460436603,232,SI,10.1039/C9ME00133F,2020,2020/10/21,RSC,All Solvent Removed,TRUE,374.7,0.82580286,0.78,strong,
568,2021[Y][pcu]3[ASR]1,c9me00176j2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[O]12[Y]34[O]5[Y]62[O]2[Y]71[O]4[Y]14[O]3[Y]35[O]6[Y]2([O]71)[O]43 MOFid-v1.ERROR.cat0;c9me00176j2_ASR_pacman,[C12O32Y6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9me00176j2_ASR_pacman,11.52258,6.73257,11.52258,0.668328,1273.31,2330.82,3487.54,0,0,0,4100.49,0.7506,1.1231,4.37036,0.0008,0.00119702,3,pcu,unnamed,pcu,unnamed,1,3,-R 3,148,Y,No,N/A,PACMAN-DDEC6,12.49256943,0.806596434,0.035661526,0.865871798,0.051634907,0.953889483,0.067536371,0.00147293,0.3599269,176,SI,10.1039/C9ME00176J,2021,2021/4/23,RSC,All Solvent Removed,TRUE,426.9,0.77388877,0.465,weak,
569,2020[Mg][rtl]3[ASR]1,c9mh00133f2_ASR_pacman,-,[Mg].[O-]C(=O)c1ccncc1 MOFid-v1.unknown.cat1;c9mh00133f2_ASR_pacman,unknown,4.44189,2.40889,4.41678,1.32281,0,0,0,52.0319,385.918,291.742,534.181,0.3962,0.299514,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,P 2yb,4,Mg,No,N/A,PACMAN-DDEC6,9.944737778,0.954818307,0.036795711,1.118502872,0.05262042,1.183108745,0.071762714,0.002282904,0.286460099,108,SI,10.1039/C9MH00133F,2020,2020/6/3,RSC,All Solvent Removed,FALSE,484.9,0.9073837,0.19,weak,
570,2019[Co][nan]3[ASR]9,c9na00169g2_ASR_pacman,-,[Co][O]([Co])[Co].[O-]C(=O)c1cc(OCc2c3ccccc3c(c3c2cccc3)COc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-] MOFid-v1.unknown.cat0;c9na00169g2_ASR_pacman,[C6Co3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][P][O][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9na00169g2_ASR_pacman,8.39026,5.74342,8.35277,1.07976,898.704,1409.46,1305.35,0,0,0,3461.01,0.5428,0.502705,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,11.02678686,0.884305192,0.022455958,0.982647702,0.049620524,1.040891507,0.060699174,0.001565863,0.421229364,376,SI,10.1039/C9NA00169G,2019,2019/4/16,RSC,All Solvent Removed,FALSE,364.2,0.3307907,0.69,strong,
571,2020[Cu][pyr]3[ASR]1,c9nj02025j2_ASR_pacman,-,unknown,unknown,5.99071,4.01175,5.97104,1.35756,1526.93,1382.01,1018.01,0,0,0,6063.49,0.5488,0.404256,0,0,0,3,pyr,unnamed,pyr,unnamed,1,3,-P 2ac 2ab,61,Cu,Yes,Cu,PACMAN-DDEC6,13.44134857,0.771485945,0.019528958,0.860554841,0.027095857,0.921138305,0.030883877,0.001496524,0.327276436,672,SI,10.1039/C9NJ02025J,2020,2020/6/6,RSC,All Solvent Removed,FALSE,360.1,0.17391571,0.57,none,
572,2020[Cu][sql]2[ASR]6,c9nj02064k2_2_ASR_pacman,-,O=C(c1cccc(n1)C(=O)Nc1cccc(c1)C(=O)[O-])Nc1cccc(c1)C(=O)[O-].[Cu][Cu] MOFid-v1.sql.cat0;c9nj02064k2_2_ASR_pacman,[C4Cu2O8_Type-1].[O][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c9nj02064k2_2_ASR_pacman,4.85859,4.12851,4.84757,1.08736,403.403,1414.44,1300.8,0,0,0,1575.47,0.5524,0.508019,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,10.61114591,0.8904463,0.026224154,0.998370226,0.054789145,1.055818331,0.065465687,0.00165372,0.402742841,176,SI,10.1039/C9NJ02064K,2020,2020/5/20,RSC,All Solvent Removed,FALSE,301.6,0.8545401,0.685,weak,
573,2020[CuYb][stp]3[ASR]1,c9nj02091h2_ASR_pacman,-,[Cu].[O-]C(=O)CNCC(=O)[O-].[Yb] MOFid-v1.unknown.cat0;c9nj02091h2_ASR_pacman,[Cu1_Type-1].[Yb1_Type-1].[O-1][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9nj02091h2_ASR_pacman,6.99405,4.9448,6.99405,2.03966,172.919,802.573,393.483,0,0,0,910.087,0.4224,0.207093,0,0,0,3,stp,unnamed,stp,unnamed,1,3,"-P 3 2""c",165,"Cu,Yb",No,N/A,PACMAN-DDEC6,14.86816629,0.709009159,0.024467949,0.755020906,0.027752028,0.828761781,0.024728853,0.001197526,0.345129771,178,SI,10.1039/C9NJ02091H,2020,2020/6/11,RSC,All Solvent Removed,TRUE,222,0.74908036,0.510058824,strong,
574,2020[Gd][sql]2[ASR]1,c9nj03664d2_4_ASR_pacman,-,[Gd].[O-]C(=O)CCCC(=O)[O-] MOFid-v1.sql.cat1;c9nj03664d2_4_ASR_pacman,[C6Gd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;c9nj03664d2_4_ASR_pacman,4.93824,4.26323,4.93824,1.63998,208.282,729.651,444.916,0,0,0,1512.33,0.5298,0.323054,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 2ac 2ab,19,Gd,Yes,Gd,PACMAN-DDEC6,14.99566426,0.668860189,0.030683878,0.734888966,0.044512342,0.754549224,0.052787614,0.00085689,0.419521173,188,SI,10.1039/C9NJ03664D,2020,2020/8/29,RSC,All Solvent Removed,FALSE,341.8,0.4839128,0.607058824,none,
575,0000[Eu][sql]2[ASR]1,c9nj03664d2_6_ASR_pacman,-,[Eu].[O-]C(=O)CCCC(=O)[O-] MOFid-v1.sql.cat1;c9nj03664d2_6_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;c9nj03664d2_6_ASR_pacman,4.89419,4.25089,4.87395,1.62245,196.497,691.382,426.135,0,0,0,1456.29,0.5124,0.315819,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 2ac 2ab,19,Eu,Yes,Eu,PACMAN-DDEC6,14.77072809,0.684062479,0.03072927,0.74897737,0.046716129,0.765216397,0.055702189,0.000811539,0.448713375,188,SI,10.1039/C9NJ03664D,unknown,unknown,RSC,All Solvent Removed,FALSE,340.4,0.5234921,0.567058824,none,
576,2020[Zn][tfz]3[ASR]3,c9nj04154k2_ASR_pacman,-,[O-]C(=O)C1=NN=C([CH]1)C(=O)[O-].[O-]C(=O)C1=N[N]C(=C1)C(=O)[O-].[O-]C(=O)[C]1N=NC(=C1)C(=O)[O-].[O-]C(=O)c1ccncc1.[Zn] MOFid-v1.unknown.cat0;c9nj04154k2_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=N][N][=C][Branch1][Ring2][CH1][Ring1][Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=N][NH0][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][CH0][N][=N][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c9nj04154k2_ASR_pacman,5.29277,3.75821,5.28515,1.58147,190.503,1117.31,706.502,0,0,0,858.984,0.5038,0.318564,0,0,0,3,tfz-d,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,15.03458889,0.738871331,0.014728552,0.837368043,0.022187332,0.882336711,0.029023961,0.001434654,0.317396534,108,SI,10.1039/C9NJ04154K,2020,2020/12/20,RSC,All Solvent Removed,FALSE,410.5,0.7632464,0.485784146,weak,
577,2021[Zn][scu]3[ASR]1,c9nj05999g2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)C(=C(c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn][Zn] MOFid-v1.scu,lwg.cat0;c9nj05999g2_ASR_pacman","[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][=Branch1][Branch1][=C][Branch2][Ring1][P][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.scu,lwg.cat0;c9nj05999g2_ASR_pacman",13.72333,6.58171,11.71851,0.658118,1407.1,2244.33,3410.23,0,0,0,4704.7,0.7504,1.14022,0,0,0,3,scu,unnamed,tbo,unnamed,1,3,I -4 2,121,Zn,Yes,Zn,PACMAN-DDEC6,11.72031434,0.822304959,0.024148174,0.917226767,0.048535571,0.964958263,0.058171219,0.001426533,0.402210096,212,SI,10.1039/C9NJ05999G,2021,2021/3/30,RSC,All Solvent Removed,FALSE,324.1,0.1137467,0.59,weak,
578,2020[Zn][gwg]3[ASR]1,c9qi00044e2_1_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].n1ccc(cc1)CCc1ccncc1 MOFid-v1.mcm,utp.cat0;c9qi00044e2_1_ASR_pacman","[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.mcm,utp.cat0;c9qi00044e2_1_ASR_pacman",4.32855,3.65959,4.29884,1.31164,156.418,682.285,520.177,0,0,0,1057.79,0.4614,0.351774,0,0,0,3,gwg,unnamed,utp,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.04150829,0.864212584,0.026159952,0.972623796,0.048457576,1.034481026,0.052149833,0.001702684,0.361166252,164,SI,10.1039/C9QI00044E,2020,2020/3/4,RSC,All Solvent Removed,FALSE,353.2,0.92473906,0.27,strong,
579,2020[Zn][fsc]3[ASR]1,c9qi00044e2_2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.fsc,ERROR.cat1;c9qi00044e2_2_ASR_pacman","[C4O8Zn2_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.fsc,ERROR.cat1;c9qi00044e2_2_ASR_pacman",4.2583,2.48974,4.25381,1.31486,0,0,0,65.1992,237.769,180.832,1218.05,0.4442,0.337831,0,0,0,3,fsc,unnamed,sqc27,unnamed,2,3,-P 2yc,13,Zn,No,N/A,PACMAN-DDEC6,10.43854808,0.898683684,0.027339167,1.010758762,0.056502473,1.064481203,0.064300728,0.001657975,0.411016566,208,SI,10.1039/C9QI00044E,2020,2020/3/4,RSC,All Solvent Removed,FALSE,356,0.15050966,0.62,strong,
580,2020[Zn][nan]3[ASR]20,c9qi01058k2_ASR_pacman,-,unknown,[Zn1_Type-1].[Zn2_Type-1].[N][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][N].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9qi01058k2_ASR_pacman,9.02015,6.37068,9.02015,1.02488,323.643,1754.8,1712.2,0,0,0,1195.5,0.6482,0.632466,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2y,12,Zn,Yes,Zn,PACMAN-DDEC6,14.59312872,0.777091959,0.017757769,0.870596558,0.033417867,0.915327344,0.038488953,0.001382354,0.370514769,78,SI,10.1039/C9QI01058K,2020,2020/9/20,RSC,All Solvent Removed,TRUE,301.3,0.89565194,0.509071429,weak,
581,2021[In][nan]3[ASR]2,c9qi01490j2_2_ASR_pacman,-,Cc1c(c2ccc(cc2)C(=O)[O-])c(C)c(c(c1c1ccc(cc1)C(=O)[O-])C)c1ccc(cc1)C(=O)[O-].[In].[OH] MOFid-v1.unknown.cat0;c9qi01490j2_2_ASR_pacman,[In1_Type-1].[C][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch2][Ring1][Ring1][=C][Ring1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;c9qi01490j2_2_ASR_pacman,10.02424,5.84722,9.83963,0.851114,1868.41,1772.84,2082.97,0.169737,0.161055,0.189228,7196.09,0.6828,0.802243,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,In,No,N/A,PACMAN-DDEC6,10.97922195,0.826221119,0.038233916,0.900389504,0.073751456,0.949917071,0.074967538,0.00123696,0.459240066,492,SI,10.1039/C9QI01490J,2021,2021/1/10,RSC,All Solvent Removed,TRUE,405.6,0.38756317,0.947692308,weak,
582,2020[In][nuc]3[ASR]1,c9qm00644c2_1_ASR_pacman,-,unknown,unknown,14.38001,8.31346,14.3648,0.471215,3844.08,2054.64,4360.3,0,0,0,15566.1,0.832,1.76565,0,0,0,3,nuc,unnamed,nuc,unnamed,1,3,P 4abw 2nw,92,In,Yes,In,PACMAN-DDEC6,12.52149434,0.739863695,0.031729583,0.824104103,0.053107175,0.898067324,0.058237227,0.001582036,0.266965673,424,SI,10.1039/C9QM00644C,2020,2020/11/13,RSC,All Solvent Removed,FALSE,313.7,0.51278454,0.879411765,weak,
583,2020[Fe][nuc]3[ASR]1,c9qm00644c2_2_ASR_pacman,-,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)NC1=NC(=[N]=C([N]1)Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c9qm00644c2_2_ASR_pacman,unknown,14.64676,8.34983,14.63728,0.408405,3810.76,2036.83,4987.27,0,0,0,15569.9,0.8322,2.03768,0,0,0,3,nuc,unnamed,nuc,unnamed,1,3,P 4abw 2nw,92,Fe,Yes,Fe,PACMAN-DDEC6,10.85244717,0.863580325,0.038798689,0.946571511,0.060447699,1.028023234,0.071216441,0.001644429,0.370508175,424,SI,10.1039/C9QM00644C,2020,2020/11/13,RSC,All Solvent Removed,FALSE,309.6,0.7804422,0.61,weak,
584,2019[Cu][pcu]3[ASR]2,c9ra02028d2_ASR_pacman,-,[Cu].[O-]C(=O)C1=CC=CN([CH]1)Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O-]C(=O)C1=CN([CH]C=C1)Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.ERROR.cat0;c9ra02028d2_ASR_pacman,[C4Cu2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][Ring2][CH1][Ring1][=Branch1][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][CH1][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;c9ra02028d2_ASR_pacman,4.4637,3.78813,4.42923,1.16809,333.322,1071.58,917.376,0,0,0,1500.54,0.4824,0.412981,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,9.431347241,0.947474765,0.038479229,1.052801156,0.07701418,1.106354683,0.084636325,0.001588799,0.47946382,232,SI,10.1039/C9RA02028D,2019,2019/5/17,RSC,All Solvent Removed,TRUE,254.6,0.4080523,0.874330152,superstrong_high_loading,
585,2019[Cu][pts]3[ASR]2,c9ra04551a2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc2c(c1)ccc(c2)OCC(COc1ccc2c(c1)ccc(c2)C(=O)[O-])(COc1ccc2c(c1)ccc(c2)C(=O)[O-])COc1ccc2c(c1)ccc(c2)C(=O)[O-] MOFid-v1.pts.cat1;c9ra04551a2_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pts.cat1;c9ra04551a2_ASR_pacman,9.09784,5.96592,8.71255,0.686124,2133.51,2344.87,3417.55,0,0,0,6572.86,0.7224,1.05287,0,0,0,3,pts,unnamed,pts,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.893296632,0.909706632,0.032884039,1.021239392,0.045953194,1.105109573,0.057321108,0.001954029,0.328108244,380,SI,10.1039/C9RA04551A,2019,2019/10/21,RSC,All Solvent Removed,FALSE,313.5,0.617778,0.48,weak,
586,2019[Cd][hcb]2[ASR]3,c9ra06703e2_3_ASR_pacman,-,[Cd].[O-]C(=O)CN1[CH]C=C(C=C1)c1ccncc1.[O-]C(=O)c1cccc(c1)C(=O)[O-] MOFid-v1.hcb.cat0;c9ra06703e2_3_ASR_pacman,[C3Cd1O6_Type-1].[O-1][C][=Branch1][C][=O][C][N][CH1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;c9ra06703e2_3_ASR_pacman,4.80312,3.02916,4.80312,1.38089,0,0,0,161.514,684.221,495.494,1145.81,0.4854,0.351514,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,11.41269674,0.828629556,0.027319248,0.921574479,0.058447792,0.968535082,0.070221404,0.001399055,0.41657703,172,SI,10.1039/C9RA06703E,2019,2019/10/17,RSC,All Solvent Removed,FALSE,315.3,0.9103142,0.287558824,strong,
587,2020[Cd][kgd]2[ASR]3,c9ra07709j2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.kgd.cat0;c9ra07709j2_ASR_pacman,unknown,6.44246,4.33842,6.44246,1.31121,367.085,1036.51,790.494,0,0,0,1758.03,0.4964,0.37858,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,11.36786179,0.797512058,0.031833704,0.891596422,0.061232495,0.942025716,0.072701021,0.001445137,0.371246931,246,SI,10.1039/C9RA07709J,2020,2020/1/29,RSC,All Solvent Removed,TRUE,367.8,0.81355315,0.79,weak,
588,2019[Co][sql]2[ASR]1,c9ra07737e2_3_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)[O-].c1ncn(c1)c1ccc(cc1)c1ccc(cc1)n1cncc1 MOFid-v1.sql.cat0;c9ra07737e2_3_ASR_pacman,unknown,5.03577,3.52134,5.01888,1.23778,98.9006,469.77,379.526,0,0,0,950.332,0.4514,0.364685,0,0,0,2,sql,unnamed,sql,unnamed,1,2,-P 1,2,Co,No,N/A,PACMAN-DDEC6,9.453497289,0.940649611,0.037259016,1.059600904,0.073240582,1.119779265,0.089459691,0.001791297,0.413056136,166,SI,10.1039/C9RA07737E,2019,2019/11/26,RSC,All Solvent Removed,FALSE,369.1,0.78287876,0.76,weak,
589,2019[Zn][sra]3[ASR]1,c9ra08940c2_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1NC1=NC(=[N]=C([N]1)Nc1ccc(cc1)C(=O)[O-])Nc1cc(ccc1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.sra,unknown.cat0;c9ra08940c2_ASR_pacman",unknown,7.85261,7.16307,7.83124,0.797028,1219.83,2090.45,2622.81,0,0,0,4123.18,0.7066,0.886544,0,0,0,3,sra,abw,unnamed,unnamed,1,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,12.28378281,0.819576948,0.019042025,0.919074108,0.037631063,0.985512686,0.050016556,0.001659357,0.327279497,228,SI,10.1039/C9RA08940C,2019,2019/11/25,RSC,All Solvent Removed,FALSE,365,0.7440324,0.83,weak,
590,2020[Zn][nbo]3[ASR]1,c9ra08983g2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn][Zn] MOFid-v1.nbo,fof.cat0;c9ra08983g2_ASR_pacman","[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,fof.cat0;c9ra08983g2_ASR_pacman",10.21223,5.01419,10.21223,0.901032,597.62,2365.28,2625.08,0,0,0,1734.79,0.6866,0.762015,0,0,0,3,nbo,unnamed,fof,unnamed,1,3,"-R 3 2""",166,Zn,Yes,Zn,PACMAN-DDEC6,14.28043875,0.757709004,0.020303008,0.846752624,0.026980153,0.899933725,0.036533438,0.001422247,0.337011928,96,SI,10.1039/C9RA08983G,2020,2020/1/21,RSC,All Solvent Removed,FALSE,361.3,0.9738668,0.777142857,weak,
591,2020[Cu][tbo]3[ASR]2,c9ra09702c2_2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;c9ra09702c2_2_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;c9ra09702c2_2_ASR_pacman,13.20723,6.66829,13.20723,0.878222,963.066,2105.17,2397.09,0,0,0,3296.57,0.7206,0.820522,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.744858895,0.014746702,0.811034912,0.02251729,0.871839466,0.032729811,0.001269806,0.364812427,156,SI,10.1039/C9RA09702C,2020,2020/1/29,RSC,All Solvent Removed,FALSE,324.1,0.9494544,0.958678571,weak,
592,2020[Cu][tbo]3[ASR]3,c9ra09702c2_3_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;c9ra09702c2_3_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;c9ra09702c2_3_ASR_pacman,13.26744,6.67803,13.26744,0.887233,942.772,2081.96,2346.57,0,0,0,3254.03,0.7186,0.809934,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.744566966,0.013411232,0.805136074,0.02671753,0.86048659,0.03818052,0.001159196,0.39767786,156,SI,10.1039/C9RA09702C,2020,2020/1/29,RSC,All Solvent Removed,TRUE,307.9,0.94838357,0.441178571,weak,
593,2019[Zr][bcu]3[ASR]1,c9sc01301f2_1_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.bcu.cat0;c9sc01301f2_1_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;c9sc01301f2_1_ASR_pacman,10.53539,8.97079,10.53539,0.728995,763.421,2187.61,3000.85,0,0,0,2662.68,0.763,1.04665,0.69795,0.0002,0.00027435,3,bcu,unnamed,bcu,unnamed,1,3,-I 4 2,139,Zr,Yes,Zr,PACMAN-DDEC6,15.01993882,0.704399774,0.021358763,0.774616461,0.034384416,0.820625279,0.042462812,0.001162255,0.359757908,102,SI,10.1039/C9SC01301F,2019,2019/5/7,RSC,All Solvent Removed,FALSE,368.7,0.8602002,0.81,none,
594,2019[Zr][bcu]3[ASR]2,c9sc01301f2_2_ASR_pacman,-,unknown,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;c9sc01301f2_2_ASR_pacman,10.71364,8.94353,10.71183,0.952429,569.635,2132.6,2239.12,0,0,0,1847.85,0.6918,0.726353,1.06843,0.0004,0.000419979,3,bcu,unnamed,bcu,unnamed,1,3,-I 2 2,71,Zr,Yes,Zr,PACMAN-DDEC6,15.01993882,0.717280826,0.02119519,0.781624342,0.038484462,0.838177191,0.039911975,0.001208964,0.355890177,102,SI,10.1039/C9SC01301F,2019,2019/5/7,RSC,All Solvent Removed,FALSE,351.3,0.89179236,0.91,none,
595,2019[Mg][nan]2[ASR]1,c9sc01422e2_1_ASR_pacman,-,[Mg]O[Mg]O[Mg].[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;c9sc01422e2_1_ASR_pacman,[C8Mg3O18_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9sc01422e2_1_ASR_pacman,6.07838,5.2775,5.98174,0.990973,327.347,1336.01,1348.18,0,0,0,1336.82,0.5456,0.55057,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Mg,Yes,Mg,PACMAN-DDEC6,9.556831111,0.946939378,0.034933144,1.101470578,0.05443763,1.168377134,0.07202567,0.002214378,0.297230218,153,SI,10.1039/C9SC01422E,2019,2019/5/14,RSC,All Solvent Removed,FALSE,436.5,0.8308173,0.46,strong,
596,2019[Mg][nan]2[ASR]2,c9sc01422e2_2_ASR_pacman,-,unknown,[C8Mg3O18_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;c9sc01422e2_2_ASR_pacman,6.16872,5.48781,6.16738,0.962945,343.655,1362.9,1415.34,0,0,0,1413.05,0.5604,0.581965,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Mg,Yes,Mg,PACMAN-DDEC6,9.556831111,0.945767673,0.034917486,1.083385677,0.065154475,1.14366138,0.07802671,0.001978937,0.364976937,153,SI,10.1039/C9SC01422E,2019,2019/5/14,RSC,All Solvent Removed,FALSE,435.6,0.82845163,0.45,strong,
597,2019[La][nan]3[ASR]3,c9sc03348c4_2_ASR_pacman,-,[La][OH2][La].[O-]C(=O)c1ccc(cc1)C1=C(SC(=C2SC(=C(S2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])S1)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;c9sc03348c4_2_ASR_pacman,[La4_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Branch1][Ring2][S][C][=Branch2][Ring2][O][=C][S][C][=Branch2][Ring1][=Branch1][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][S][Ring2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9sc03348c4_2_ASR_pacman,7.64053,4.52668,7.36253,1.33605,394.582,1205.33,902.162,0,0,0,1668.9,0.5098,0.381573,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,La,Yes,La,PACMAN-DDEC6,13.43821714,0.754029917,0.018242261,0.854603837,0.034101309,0.89785582,0.047328263,0.001438259,0.332105861,196,SI,10.1039/C9SC04043A,2019,2019/9/6,RSC,All Solvent Removed,FALSE,342.6,0.83467,0.9,unknown,
598,2019[Zn][pcu]3[ASR]6,c9sc04043a2_3_ASR_pacman,-,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn][Zn].n1ccc(cc1)CCc1ccncc1 MOFid-v1.pcu.cat1;c9sc04043a2_3_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;c9sc04043a2_3_ASR_pacman,4.37219,3.38023,4.36603,1.28945,209.438,546.947,424.17,0,0,0,1751.49,0.4574,0.354724,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,10.32422722,0.888825135,0.036183089,0.990478181,0.067520554,1.044093214,0.081461795,0.001552681,0.431027234,288,SI,10.1039/C9SC04043A,2019,2019/9/6,RSC,All Solvent Removed,FALSE,397.5,0.57076466,0.566789307,weak,
599,2020[Ti][srs]3[ASR]1,c9sc06500h2_ASR_pacman,-,[O]c1cc(ccc1[O])C1=NC(=[N]=C([N]1)c1ccc(c(c1)[O])[O])c1ccc(c(c1)[O])[O].[Ti] MOFid-v1.srs.cat1;c9sc06500h2_ASR_pacman,unknown,9.25126,4.2936,9.25014,0.641889,3033.94,3278.24,5107.17,0,0,0,6835.58,0.7386,1.15067,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab 3,205,Ti,No,N/A,PACMAN-DDEC6,11.1794915,0.870270839,0.028745306,0.963966402,0.042583706,1.068549664,0.062133761,0.001982788,0.273619747,320,SI,10.1039/C9SC06500H,2020,2020/3/19,RSC,All Solvent Removed,TRUE,393.7,0.8403892,0.51,strong,
600,2020[Eu][nan]3[ASR]4,c9ta00384c2_1_ASR_pacman,-,[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[OH2][Eu]O[Eu][OH2] MOFid-v1.unknown.cat0;c9ta00384c2_1_ASR_pacman,[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9ta00384c2_1_ASR_pacman,4.54687,3.96791,4.54687,1.58487,149.606,715.025,451.158,0,0,0,966.651,0.462,0.291507,0,0,0,3,unstable,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Eu,No,N/A,PACMAN-DDEC6,13.31305173,0.736329504,0.022374187,0.812781724,0.046129814,0.852965607,0.056964989,0.001166361,0.392465913,150,SI,10.1039/C9TA00384C,2020,2020/4/2,RSC,All Solvent Removed,TRUE,407.9,0.7604084,0.54,weak,
601,2020[Co][sql]2[ASR]4,c9ta01628g2_ASR_pacman,-,O=C(c1ccncc1)Nc1ccc(cc1)NC(=O)c1ccncc1.[Co].[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;c9ta01628g2_ASR_pacman,[C4Co2O8_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;c9ta01628g2_ASR_pacman,5.64116,4.67229,5.63546,1.12404,212.798,1136.94,1011.47,0,0,0,943.697,0.5042,0.448559,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Co,No,N/A,PACMAN-DDEC6,9.598073864,0.942361442,0.036395303,1.050729666,0.073047891,1.102804722,0.086574137,0.001604433,0.470413796,132,SI,10.1039/C9TA01628G,2020,2020/4/3,RSC,All Solvent Removed,FALSE,387.6,0.9043866,0.959545455,strong,
602,2020[Zr][sqc]3[ASR]1,c9ta04026a2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.unknown.cat0;c9ta04026a2_ASR_pacman,[C8H4O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9ta04026a2_ASR_pacman,9.30717,7.21012,8.79252,0.84795,1634.16,2327.9,2745.33,0,0,0,4960.24,0.7066,0.833304,1.40397,0.0002,0.000235863,3,sqc,unnamed,sqc,unnamed,1,3,I 4bw 2bw -1bw,141,Zr,No,N/A,PACMAN-DDEC6,13.37557493,0.758916117,0.021997978,0.834137535,0.03844903,0.89584689,0.048181674,0.001369308,0.350375809,268,SI,10.1039/C9TA04026A,2020,2020/6/14,RSC,All Solvent Removed,FALSE,416.2,0.9425527,0.88,none,
603,2020[Ag][nbo]3[ASR]1,c9ta08614e2_ASR_pacman,-,NC(=S)NN=Cc1ccncc1.[Ag] MOFid-v1.nbo-a.cat0;c9ta08614e2_ASR_pacman,[Ag1_Type-1].[N][C][=Branch1][C][=S][N][N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.nbo-a.cat0;c9ta08614e2_ASR_pacman,14.60252,14.18833,14.60252,0.978977,386.197,1317.14,1345.43,0,0,0,1999.68,0.682,0.696646,0,0,0,3,nbo-a,unnamed,nbo-a,unnamed,1,3,-R 3,148,Ag,Yes,Ag,PACMAN-DDEC6,13.71897238,0.679215509,0.040211273,0.752135515,0.063801858,0.795124256,0.06285406,0.001159087,0.336477815,126,SI,10.1039/C9TA08614E,2020,2020/10/15,RSC,All Solvent Removed,FALSE,237.9,0.87323433,0.5405,none,
604,2020[Cu][nan]2[ASR]3,c9ta09928j2_1_ASR_pacman,-,[Cu].n1ccc(cc1)C#Cc1ccncc1 MOFid-v1.sql.cat1;c9ta09928j2_1_ASR_pacman,[Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c9ta09928j2_1_ASR_pacman,6.17681,4.19394,5.83943,0.783586,632.307,1759.44,2245.37,0,0,0,2353.94,0.655,0.835901,0,0,0,2,unstable,unnamed,unstable,unnamed,4,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.421258667,0.939021244,0.049386179,1.052318534,0.078957647,1.140716332,0.090976722,0.002016951,0.338085894,180,SI,10.1039/C9TA09928J,2020,2020/11/19,RSC,All Solvent Removed,FALSE,435.7,0.5275301,0.596666667,weak,
605,2020[Cu][sql]2[ASR]7,c9ta09928j2_3_ASR_pacman,-,[Cu].n1ccc(cc1)C#Cc1ccncc1 MOFid-v1.sql.cat1;c9ta09928j2_3_ASR_pacman,[Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;c9ta09928j2_3_ASR_pacman,6.3821,3.98035,6.3821,0.766394,666.925,1815.05,2368.3,0,0,0,2367.06,0.6442,0.84056,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.421258667,0.930334097,0.050377321,1.041967092,0.079895742,1.122452222,0.091147481,0.001921181,0.359171033,180,SI,10.1039/C9TA09928J,2020,2020/11/19,RSC,All Solvent Removed,FALSE,434,0.50772685,0.596666667,weak,
606,2020[Zr][sql]2[ASR]1,c9ta10701k2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.sql.cat1;c9ta10701k2_ASR_pacman,unknown,9.07817,6.77757,8.97005,1.07971,949.649,1769.07,1638.47,0,0,0,3358.25,0.6256,0.579413,3.22083,0.0006,0.000555703,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Zr,Yes,Zr,PACMAN-DDEC6,13.85077714,0.751684939,0.024172994,0.824671905,0.039038199,0.882656139,0.050992148,0.001309712,0.361271792,252,SI,10.1039/C9TA10701K,2020,2020/12/2,RSC,All Solvent Removed,FALSE,unknown,unknown,unknown,none,
607,2020[Zn][nan]3[ASR]21,c9tc00851a2_2_ASR_pacman,-,[O]P(=O)(O)[O].[Zn].n1ccc(cc1)c1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;c9tc00851a2_2_ASR_pacman,[Zn1_Type-1].[OH0][P][=Branch1][C][=O][Branch1][C][O][OH0].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;c9tc00851a2_2_ASR_pacman,5.20335,4.624,5.20335,1.48338,107.1,861.894,581.035,0,0,0,616.09,0.4958,0.334237,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,12.61360191,0.810044908,0.028239704,0.892176737,0.05369821,0.934476572,0.058713891,0.001244317,0.443388581,88,SI,10.1039/C9TC00851A,2020,2020/3/6,RSC,All Solvent Removed,FALSE,295.6,0.09488469,0.489904762,none,
608,2020[Zr][sqc]3[ASR]2,c9tc03096d2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;c9tc03096d2_ASR_pacman,[C8O24Zr6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;c9tc03096d2_ASR_pacman,9.29295,7.14182,8.90254,0.852953,1629.61,2340.38,2743.86,0,0,0,4917.27,0.7062,0.827947,1.3926,0.0002,0.00023448,3,sqc,unnamed,sqc,unnamed,1,3,I 4bw 2bw -1bw,141,Zr,No,N/A,PACMAN-DDEC6,13.75611754,0.75083619,0.022769035,0.825185276,0.038956894,0.876071158,0.047729879,0.00125235,0.379041824,260,SI,10.1039/C9TC03096D,2020,2020/9/2,RSC,All Solvent Removed,FALSE,433.7,0.9681567,0.94,none,
609,2020[Eu][bnn]3[ASR]1,c9tc05471e2_4_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1)c1ccc(cc1)C(=O)[O-])F MOFid-v1.unknown.cat0;c9tc05471e2_4_ASR_pacman,[Eu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][F] MOFid-v2.UNKNOWN.cat0;c9tc05471e2_4_ASR_pacman,4.45966,2.88859,4.45966,1.26448,0,0,0,161.913,1164.77,921.147,782.621,0.563,0.445244,0,0,0,3,bnn,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,13.57084367,0.717801037,0.022099777,0.803767928,0.041200307,0.846300356,0.053236269,0.001284993,0.339542156,78,SI,10.1039/C9TC05471E,2020,2020/12/6,RSC,All Solvent Removed,FALSE,444.2,0.7826493,0.79,none,
610,2003[Er][tcs]3[ASR]1,cg034025wsi20030214_115651_ASR_pacman,-,[Er].[O-]C(=O)[CH][CH]C(=O)[O-] MOFid-v1.ERROR.cat0;cg034025wsi20030214_115651_ASR_pacman,[Er1_Type-1].[O-1][C][=Branch1][C][=O][CH1][CH1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;cg034025wsi20030214_115651_ASR_pacman,4.96885,4.05562,4.9634,1.71981,228.399,1747.86,1016.31,0,0,0,743.794,0.5692,0.330967,0,0,0,3,tcs,unnamed,sqc707,unnamed,1,3,-P 2ybc,14,Er,Yes,Er,PACMAN-DDEC6,21.14646375,0.543374215,0.020613348,0.585054713,0.024889314,0.624029599,0.026800007,0.000806554,0.301858997,64,SI,10.1021/cg034025w,2003,2003/5/8,ACS,All Solvent Removed,FALSE,343,0.39815694,0.628888889,none,
611,2006[Cu][pcu]3[ASR]1,cg050585esi20051105_115011_ASR_pacman,-,[Cu][Cu].[O-]C(=O)C1CCC(CC1)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.pcu.cat1;cg050585esi20051105_115011_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;cg050585esi20051105_115011_ASR_pacman,5.55616,3.55155,5.55042,1.36492,91.328,601.892,440.974,0.265126,1.7473,1.28015,643.052,0.4238,0.310495,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,P 1,1,Cu,No,N/A,PACMAN-DDEC6,9.448501818,0.92748675,0.004661095,1.045607856,0.004466887,1.176490377,0.005239981,0.002490036,0.178348965,132,SI,10.1021/cg050585e,2006,2006/2/22,ACS,All Solvent Removed,FALSE,298.7,0.8012116,0.71022964,weak,
612,2007[In][ctn]3[ASR]1,cg060732osi20070605_042406_ASR_pacman,-,[In].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ctn.cat0;cg060732osi20070605_042406_ASR_pacman,[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ctn.cat0;cg060732osi20070605_042406_ASR_pacman,6.23514,5.51669,6.23514,0.921299,2142.81,2533.99,2750.46,0,0,0,5927.83,0.701,0.760883,0,0,0,3,ctn,unnamed,ctn,unnamed,1,3,I -4bd 2c 3,220,In,No,N/A,PACMAN-DDEC6,15.6389344,0.727255307,0.013343652,0.817133619,0.028654782,0.869543973,0.031357445,0.001422887,0.306633971,300,SI,10.1021/cg060732o,2007,2007/7/28,ACS,All Solvent Removed,FALSE,386.5,0.89880854,0.9,weak,
613,2012[Co][dia]3[ASR]3,cg300302n_si_004_ASR_pacman,-,[Co].n1cc([nH]c1)c1ccc(cc1)c1[nH]cnc1 MOFid-v1.dia.cat0;cg300302n_si_004_ASR_pacman,[Co1_Type-1].[N][C][=C][Branch1][Branch1][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][NH1][C][=N][C][=Ring1][Branch1] MOFid-v2.dia.cat0;cg300302n_si_004_ASR_pacman,4.26728,3.40774,4.26728,1.22723,55.3973,426.999,347.937,0,0,0,589.263,0.4542,0.370101,0,0,0,3,dia,unnamed,dia,unnamed,6,3,P -4,81,Co,No,N/A,PACMAN-DDEC6,9.045328208,0.928488357,0.052839859,1.049668093,0.094868505,1.090538711,0.098380912,0.001620504,0.45572214,106,SI,10.1021/cg300302n,2012,2012/4/18,ACS,All Solvent Removed,FALSE,282.6,0.1599665,0.799030172,weak,
614,2013[Mn][nan]3[ASR]3,cg301725z_si_004_ASR_pacman,-,[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.pyr.cat0;cg301725z_si_004_ASR_pacman,[C6Mn2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.pyr.cat0;cg301725z_si_004_ASR_pacman,4.69664,4.11195,4.68637,1.09749,550.335,1734.99,1580.87,0,0,0,1853.7,0.5844,0.532487,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ac 2ab,61,Mn,No,N/A,PACMAN-DDEC6,13.79234553,0.831318264,0.019730252,0.931115388,0.027046561,0.994081543,0.031039731,0.001627633,0.34916692,152,SI,10.1021/cg301725z,2013,2013/2/15,ACS,All Solvent Removed,FALSE,500.9,0.16838348,0.4,unknown,
615,2013[Ce][kgd]2[ASR]1,cg400174r_si_002_1_ASR_pacman,-,[Ce].[O-]C(=O)COc1ccc(cc1)N(CC(=O)[O-])CC(=O)[O-] MOFid-v1.unknown.cat0;cg400174r_si_002_1_ASR_pacman,[Ce2_Type-2].[O-1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg400174r_si_002_1_ASR_pacman,4.67196,3.86449,4.67196,1.48872,103.559,1104.42,741.859,0,0,0,476.528,0.5082,0.341367,0,0,0,2,kgd,unnamed,unnamed,unnamed,1,3,-P 1,2,Ce,Yes,Ce,PACMAN-DDEC6,13.5589129,0.740294415,0.024717084,0.804834897,0.046241286,0.855258802,0.055002945,0.001149644,0.397754015,62,SI,10.1021/cg400174r,2013,2013/7/22,ACS,All Solvent Removed,FALSE,384.3,0.56784654,0.83,superstrong_high_loading,
616,2013[Nd][kgd]2[ASR]1,cg400174r_si_002_2_ASR_pacman,-,[Nd].[O-]C(=O)COc1ccc(cc1)N(CC(=O)[O-])CC(=O)[O-] MOFid-v1.unknown.cat0;cg400174r_si_002_2_ASR_pacman,[Nd2_Type-2].[O-1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg400174r_si_002_2_ASR_pacman,4.66818,3.88136,4.66818,1.51424,101.299,1088.16,718.619,0,0,0,470.674,0.5056,0.333897,0,0,0,2,kgd,unnamed,unnamed,unnamed,1,3,-P 1,2,Nd,Yes,Nd,PACMAN-DDEC6,13.69200968,0.732184043,0.024460945,0.791065703,0.046944092,0.842173504,0.056187926,0.001099895,0.403511304,62,SI,10.1021/cg400174r,2013,2013/7/22,ACS,All Solvent Removed,FALSE,383.7,0.5193635,0.85,none,
617,2013[Sm][kgd]2[ASR]1,cg400174r_si_002_3_ASR_pacman,-,[O-]C(=O)COc1ccc(cc1)N(CC(=O)[O-])CC(=O)[O-].[Sm] MOFid-v1.unknown.cat0;cg400174r_si_002_3_ASR_pacman,[Sm2_Type-2].[O-1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg400174r_si_002_3_ASR_pacman,4.63496,3.87226,4.63496,1.55696,97.6502,1063.23,682.886,0,0,0,461.052,0.502,0.322422,0,0,0,2,kgd,unnamed,unnamed,unnamed,1,3,-P 1,2,Sm,Yes,Sm,PACMAN-DDEC6,13.88936452,0.718807414,0.024162023,0.780884449,0.044436262,0.832355999,0.053491461,0.001135486,0.379929238,62,SI,10.1021/cg400174r,2013,2013/7/22,ACS,All Solvent Removed,FALSE,380.9,0.5460508,0.86962963,none,
618,2013[Zn][nan]3[ASR]2,cg400183s_si_002_2_ASR_pacman,-,NC1=NN=C([N]1)N.[O-]C(=O)c1cccc(c1)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;cg400183s_si_002_2_ASR_pacman,[Zn1_Type-1].[N][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][N].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;cg400183s_si_002_2_ASR_pacman,5.65164,3.52855,5.65164,1.38751,153.388,652.487,470.257,57.6334,245.163,176.693,1246.41,0.5302,0.382123,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-I 4,87,Zn,Yes,Zn,PACMAN-DDEC6,12.276207,0.817540767,0.030614358,0.93317536,0.051664969,0.971521362,0.063145715,0.001539806,0.368480409,160,SI,10.1021/cg400183s,2013,2013/4/2,ACS,All Solvent Removed,TRUE,396.6,0.92912,0.953333333,weak,
619,2013[Zn][nan]3[ASR]3,cg400183s_si_002_3_ASR_pacman,-,NC1=N[N]C=N1.NC1=[N]=CN=N1.[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;cg400183s_si_002_3_ASR_pacman,unknown,4.97233,3.59683,4.96592,1.26745,325.055,1121.35,884.732,0,0,0,1529.4,0.5276,0.41627,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.76839064,0.822835263,0.026499386,0.936042664,0.051545939,0.974444092,0.062968098,0.001516088,0.380476437,188,SI,10.1021/cg400183s,2013,2013/4/2,ACS,All Solvent Removed,TRUE,379.3,0.9249402,0.96,weak,
620,2014[Ag][ths]3[ASR]1,cg401858s_si_002_ASR_pacman,-,unknown,[Ag1_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][#C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat1;cg401858s_si_002_ASR_pacman,5.74979,4.64297,5.74896,1.11065,475.36,1447.13,1302.96,0,0,0,1848.71,0.5628,0.506731,0,0,0,3,ths,unnamed,ths,unnamed,2,3,-C 2yc,15,Ag,Yes,Ag,PACMAN-DDEC6,11.2094,0.830653667,0.033181978,0.929549579,0.059946353,0.972630928,0.07099639,0.001419773,0.414024314,196,SI,10.1021/cg401858s,2014,2014/1/15,ACS,All Solvent Removed,TRUE,306,0.29835373,0.92,strong,
621,2014[Zn][nan]3[ASR]1,cg401887b_si_002_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(c2cc(cc(c2)C(=O)[O-])C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;cg401887b_si_002_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][C][Ring2][Ring1][C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][O][C][=C][Ring1][Branch2][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg401887b_si_002_ASR_pacman,6.69877,5.40684,6.62403,0.878608,990.239,2355.41,2680.85,0,0,0,2831.04,0.6734,0.766439,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.93217349,0.777508042,0.017837582,0.876678801,0.034762644,0.932385725,0.04213592,0.001548777,0.320118965,172,SI,10.1021/cg401887b,2014,2014/3/18,ACS,All Solvent Removed,FALSE,342.5,0.13858956,0.45,superstrong_high_loading,
622,2014[Zn][nan]3[ASR]2,cg401887b_si_003_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(c2cc(cc(c2)C(=O)[O-])C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;cg401887b_si_003_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][C][Ring2][Ring1][C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][O][C][=C][Ring1][Branch2][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg401887b_si_003_ASR_pacman,8.26414,6.51734,8.11546,0.77094,1111.08,2318.98,3007.99,0,0,0,3436.27,0.7172,0.930292,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.93217349,0.78372377,0.018341515,0.876656776,0.034880923,0.936886497,0.042996697,0.001531627,0.329686135,172,SI,10.1021/cg401887b,2014,2014/3/18,ACS,All Solvent Removed,FALSE,365.2,0.08290252,0.43,superstrong_high_loading,
623,2014[Cu][nan]3[ASR]2,cg401887b_si_004_ASR_pacman,-,[Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(c2cc(cc(c2)C(=O)[O-])C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;cg401887b_si_004_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][=C][C][C][Ring2][Ring1][C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][O][C][=C][Ring1][Branch2][C][C][=C][Branch1][=N][C][=C][Branch1][Ring2][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg401887b_si_004_ASR_pacman,8.20724,6.59788,8.11437,0.786824,1078.65,2313.03,2939.71,0,0,0,3380.95,0.725,0.921426,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,12.84687116,0.797587809,0.017421383,0.881400905,0.038309753,0.943532591,0.040998906,0.001459448,0.363367034,172,SI,10.1021/cg401887b,2014,2014/3/18,ACS,All Solvent Removed,FALSE,251.6,0.08797112,0.45,strong,
624,0000[Zn][nan]3[ASR]4,cg500033b_si_003_ASR_pacman,-,CC(=NN=C(c1ccncc1)C)c1ccncc1.[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.unknown.cat0;cg500033b_si_003_ASR_pacman,[C4O8Zn2_Type-1].[C][C][=Branch1][#C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg500033b_si_003_ASR_pacman,4.83378,3.74001,4.83378,1.15822,171.778,679.607,586.768,50.8004,200.982,173.526,1284.53,0.5082,0.438777,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,10.01668636,0.917293051,0.035845106,1.043978671,0.050297726,1.113829731,0.06724239,0.001965367,0.33715544,176,SI,10.1021/cg500033b,unknown,unknown,ACS,All Solvent Removed,TRUE,289.3,0.91489106,0.552559524,weak,
625,2014[Co][ant]3[ASR]1,cg500091k_si_002_ASR_pacman,-,"[Co].[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-].[O-]C=O MOFid-v1.ant,unknown.cat0;cg500091k_si_002_ASR_pacman",unknown,7.03754,5.53828,7.03754,0.930114,1220.9,2275.86,2446.86,0,0,0,3518.09,0.6558,0.705075,0,0,0,3,ant,unnamed,unnamed,unnamed,1,3,C 2c 2,20,Co,Yes,Co,PACMAN-DDEC6,12.73234822,0.833726714,0.018762427,0.91455451,0.037641592,0.968115307,0.04942571,0.001343886,0.435105436,236,SI,10.1021/cg500091k,2014,2014/3/27,ACS,All Solvent Removed,FALSE,353.4,0.86858034,0.28,weak,
626,2014[Co][dmc]3[ASR]1,cg500121f_si_004_ASR_pacman,-,NC1=NC=N[N]1.NC1=NN=C[N]1.NC1=N[N]C=N1.NC1=[N]=CN=N1.[Co].[O-]C(=O)c1cccc(c1)c1cccc(c1)C(=O)[O-] MOFid-v1.ERROR.cat0;cg500121f_si_004_ASR_pacman,unknown,4.91809,3.4925,4.77896,1.18083,152.045,1031.24,873.32,0,0,0,788.799,0.535,0.453072,0,0,0,3,dmc,unnamed,dmc,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,11.3961163,0.849183982,0.027906449,0.954707212,0.054840107,0.994192511,0.064797215,0.001450085,0.425164718,92,SI,10.1021/cg500121f,2014,2014/3/21,ACS,All Solvent Removed,FALSE,300.8,0.86184394,0.630614439,weak,
627,2014[Cu][tbo]3[ASR]2,cg500175k_si_001_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc2c(s1)c1cc(sc1c1c2sc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cg500175k_si_001_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][=C][Branch2][Ring1][Branch1][S][C][=Ring1][Branch1][C][=C][Ring1][#Branch2][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cg500175k_si_001_ASR_pacman,20.3716,9.94685,20.36554,0.51525,9123.79,1879.53,3647.81,0,0,0,39853.7,0.821,1.5934,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,F 4 2 3,209,Cu,Yes,Cu,PACMAN-DDEC6,16.51560421,0.733113876,0.005608406,0.79951363,0.008794793,0.886502722,0.00587342,0.001533888,0.269515783,912,SI,10.1021/cg500175k,2014,2014/5/5,ACS,All Solvent Removed,FALSE,239.6,0.9282701,0.45,weak,manual curation
628,2014[Ni][gra]3[ASR]1,cg500975j_si_002_ASR_pacman,-,[Ni].[O-]C(=O)c1ccc(cc1)C(=O)[O-].c1ncn(c1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.gra.cat0;cg500975j_si_002_ASR_pacman,[C2Ni1O4_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.gra.cat0;cg500975j_si_002_ASR_pacman,5.00576,3.06121,4.99131,1.07407,0,0,0,425.195,945.223,880.04,2256.38,0.5016,0.467009,0,0,0,3,gra,unnamed,gra,unnamed,2,3,-P 2ybc,14,Ni,No,N/A,PACMAN-DDEC6,9.09240275,0.951595599,0.045206774,1.094941763,0.068076986,1.15092441,0.088894301,0.001993288,0.368169752,320,SI,10.1021/cg500975j,2014,2014/9/22,ACS,All Solvent Removed,TRUE,429.6,0.6783549,0.99,strong,
629,2014[Zn][nan]3[ASR]3,cg501012e_si_002_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)c1cc(cc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;cg501012e_si_002_ASR_pacman,[C4O8Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch2][Branch1][P][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cg501012e_si_002_ASR_pacman,10.40655,5.09847,10.40654,0.834367,1185.03,2018.2,2418.84,0,0,0,3927.02,0.6688,0.801566,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,11.43514884,0.857051045,0.021994783,0.965812508,0.043900988,1.024845767,0.05165291,0.001677947,0.361954911,258,SI,10.1021/cg501012e,2014,2014/8/15,ACS,All Solvent Removed,FALSE,329,0.67756164,0.65,weak,
630,2014[FeAu][nan]3[ASR]1,cg5010616_si_007_ASR_pacman,-,[Au].[C]#N.[Fe].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.ERROR.cat0;cg5010616_si_007_ASR_pacman,unknown,4.68635,3.59952,4.68635,1.96131,226.352,1169.4,596.234,0.820395,4.23838,2.161,1020.08,0.527,0.268698,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""",166,"Fe,Au",Yes,Au,PACMAN-DDEC6,21.77332737,0.502999842,0.013644015,0.55816259,0.026097654,0.536740869,0.034721675,0.00033741,0.414540838,105,SI,10.1021/cg5010616,2014,2014/11/5,ACS,All Solvent Removed,FALSE,381.2,0.93756413,0.58,unknown,
631,2014[Co][nan]3[ASR]4,cg501141m_si_002_ASR_pacman,-,[Co].[Co]O[Co].[O-]C(=O)c1ccncc1 MOFid-v1.unknown.cat0;cg501141m_si_002_ASR_pacman,[C2Co1O4_Type-2].[C4Co2O9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;cg501141m_si_002_ASR_pacman,7.17077,4.84194,7.1162,0.994067,1372.19,1470.94,1479.72,180.151,193.116,194.269,5487.09,0.5882,0.591711,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,11.30454508,0.884113567,0.0283392,0.975751259,0.054620362,1.03166934,0.068987833,0.001475558,0.447399516,494,SI,10.1021/cg501141m,2014,2014/12/12,ACS,All Solvent Removed,FALSE,367.2,0.95252866,0.381552632,strong,
632,2014[Co][nan]3[ASR]5,cg501141m_si_004_ASR_pacman,-,[Co].[Co]O[Co].[O-]C(=O)c1ccncc1 MOFid-v1.unknown.cat0;cg501141m_si_004_ASR_pacman,[C2Co1O4_Type-2].[C4Co2O9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;cg501141m_si_004_ASR_pacman,7.0058,4.61742,6.87889,1.00691,1338.18,1453.02,1443.05,167.367,181.73,180.484,5406.07,0.587,0.582973,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Co,Yes,Co,PACMAN-DDEC6,11.30454508,0.886060557,0.028307795,0.997648793,0.044221357,1.058296218,0.062647079,0.001722357,0.377843707,494,SI,10.1021/cg501141m,2014,2014/12/12,ACS,All Solvent Removed,FALSE,389,0.94470954,0.431552632,weak,
633,2014[CuNd][nan]3[ASR]1,cg5012617_si_002_1_ASR_pacman,-,[Cu].[Nd].[O-]C(=O)c1cccnc1c1ncccc1C(=O)[O-] MOFid-v1.ERROR.cat0;cg5012617_si_002_1_ASR_pacman,[Cu1_Type-1].[Nd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;cg5012617_si_002_1_ASR_pacman,6.32079,5.6922,6.32079,1.51042,624.282,537.411,355.802,71.6454,61.6758,40.8335,5355.19,0.461,0.305213,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw -1bw,88,"Cu,Nd",Yes,Nd,PACMAN-DDEC6,13.34119354,0.748324414,0.019587605,0.835468857,0.039662901,0.885120445,0.048004729,0.00136796,0.344185128,792,SI,10.1021/cg5012617,2014,2014/11/3,ACS,All Solvent Removed,FALSE,328.4,0.71239936,0.5005,none,
634,2015[CrMn][nod]3[ASR]1,cg501560z_si_002_ASR_pacman,-,unknown,[Cr1_Type-1].[Mn1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;cg501560z_si_002_ASR_pacman,9.02632,7.52711,9.0007,0.738263,3244.37,2430.03,3291.56,0,0,0,10176.2,0.7622,1.03242,0,0,0,3,nod,unnamed,nod,unnamed,1,3,-P 2yc,13,"Cr,Mn",No,N/A,PACMAN-DDEC6,18.54955725,0.739589248,0.016315034,0.81393345,0.018737311,0.872139299,0.014710656,0.001325501,0.344628822,320,SI,10.1021/cg501560z,2015,2015/2/5,ACS,All Solvent Removed,FALSE,385.4,0.8988124,0.4,weak,
635,2015[CrMn][noa]3[ASR]1,cg501560z_si_003_ASR_pacman,-,[Cr].[Mn].[O-]C(=O)C(=O)[O-] MOFid-v1.ERROR.cat0;cg501560z_si_003_ASR_pacman,[Cr1_Type-1].[Mn1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;cg501560z_si_003_ASR_pacman,10.58889,8.21137,10.58889,0.621509,1827.01,2304.04,3707.16,0,0,0,6354.78,0.8014,1.28944,0,0,0,3,noa,unnamed,noa,unnamed,1,3,-P 2ybc,14,"Cr,Mn",Yes,Mn,PACMAN-DDEC6,18.54955725,0.756892446,0.012799515,0.82046086,0.016416195,0.871137869,0.012379386,0.001142454,0.416304745,160,SI,10.1021/cg501560z,2015,2015/2/5,ACS,All Solvent Removed,FALSE,319.9,0.89758956,0.37,superstrong_high_loading,
636,2015[Cu][nan]3[ASR]3,cg501730q_si_002_ASR_pacman,-,I[Cu][Cu]I.[Cu][Cu].[O-]C(=O)c1ccc(cc1)c1cncnc1 MOFid-v1.unknown.cat0;cg501730q_si_002_ASR_pacman,[C4Cu2O8_Type-1].[Cu2I2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][N][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;cg501730q_si_002_ASR_pacman,15.26082,10.84317,15.19345,0.834663,4511.52,1931.15,2313.69,0,0,0,16937.3,0.725,0.868614,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Cu,Yes,Cu,PACMAN-DDEC6,13.88015809,0.704825591,0.02257447,0.76894794,0.044448187,0.81368911,0.056535378,0.001088635,0.381465233,846,SI,10.1021/cg501730q,2015,2015/1/16,ACS,All Solvent Removed,FALSE,267.8,0.85724044,0.89,weak,
637,2015[Ni][nan]3[ASR]1,cg5b00056_si_002_ASR_pacman,-,Cc1[nH][n-]c(c1c1c(C)[n-][nH]c1C)C.[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;cg5b00056_si_002_ASR_pacman,unknown,9.03942,2.40726,9.03942,1.05682,0,0,0,592.891,1089.43,1030.85,2834.32,0.5208,0.492797,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,8.366101449,1.05040677,0.057494516,1.129509835,0.11384197,1.19893847,0.114266112,0.001485317,0.606424076,414,SI,10.1021/acs.cgd.5b00056,2015,2015/4/30,ACS,All Solvent Removed,TRUE,365.4,0.8563906,0.862878788,weak,
638,2015[Mn][nan]3[ASR]3,cg5b00056_si_004_ASR_pacman,-,Cc1[nH][n-]c(c1c1c(C)[n-][nH]c1C)C.[Mn].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;cg5b00056_si_004_ASR_pacman,unknown,9.90635,2.42508,9.90635,0.988654,0,0,0,629.601,1089.34,1101.84,3151.07,0.5452,0.551457,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Mn,No,N/A,PACMAN-DDEC6,8.311676014,1.065051157,0.056970629,1.151727862,0.115351687,1.215320758,0.115985911,0.001502696,0.618089662,414,SI,10.1021/acs.cgd.5b00056,2015,2015/4/30,ACS,All Solvent Removed,TRUE,311.3,0.90780234,0.57,weak,
639,2015[Cd][sql]2[ASR]2,cg5b00056_si_005_ASR_pacman,-,Cc1[nH][n-]c(c1c1c(C)[n-][nH]c1C)C.[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat1;cg5b00056_si_005_ASR_pacman,unknown,5.87576,4.00855,5.86904,1.19781,267.131,1032.03,861.602,0,0,0,1376,0.5316,0.443811,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,10.37268711,0.875798473,0.039569757,0.961698941,0.083080784,1.011040429,0.087620725,0.00135242,0.476165767,180,SI,10.1021/acs.cgd.5b00056,2015,2015/4/30,ACS,All Solvent Removed,FALSE,297.2,0.44644383,0.489604278,strong,
640,2008[Cu][pcu]3[ASR]1,cg8002564_si_006_ASR_pacman,-,unknown,[Cu1_Type-1].[N][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.pcu.cat0;cg8002564_si_006_ASR_pacman,5.15902,2.4581,5.15902,1.27729,0,0,0,240.344,652.938,511.192,1887.6,0.5128,0.401476,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,"-R 3 2""c",167,Cu,No,N/A,PACMAN-DDEC6,10.97419256,0.855863607,0.031989781,0.975017513,0.063927695,1.024050855,0.070768949,0.001681872,0.362988619,258,SI,10.1021/cg8002564,2008,2008/9/5,ACS,All Solvent Removed,FALSE,286.3,0.34066463,0.955,weak,
641,2008[Cd][nbo]3[ASR]1,cg800424t_si_002_ASR_pacman,-,[S][Cd][S].n1ccc(cc1)c1cc(c2ccncc2)c(cc1c1ccncc1)c1ccncc1 MOFid-v1.nbo.cat0;cg800424t_si_002_ASR_pacman,[Cd1S2_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][C][=C][N][=C][C][=Ring1][=Branch1][C][=Branch1][=N][=C][C][=Ring1][N][C][C][=C][N][=C][C][=Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.nbo.cat0;cg800424t_si_002_ASR_pacman,11.07774,9.25679,10.94246,0.998925,1047.25,1243.32,1244.66,0,0,0,4966.21,0.5896,0.590234,0,0,0,3,nbo,unnamed,nbo,unnamed,1,3,"-R 3 2""",166,Cd,No,N/A,PACMAN-DDEC6,11.03899843,0.808807912,0.03690233,0.897506833,0.07337215,0.940793279,0.081680264,0.001319854,0.420420559,459,SI,10.1021/cg800424t,2008,2008/8/29,ACS,All Solvent Removed,FALSE,357.5,0.19042468,0.817692308,weak,
642,2008[Co][sql]2[ASR]1,cg800945m_si_001_ASR_pacman,-,[Co][Co].[O-]C(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;cg800945m_si_001_ASR_pacman,unknown,4.93014,2.47697,4.92146,1.5197,0,0,0,47.6963,206.575,135.931,922.177,0.3994,0.262814,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,11.23971349,0.89037889,0.026495212,1.00794847,0.059057149,1.049507459,0.06359204,0.001591286,0.425661624,188,SI,10.1021/cg800945m,2008,2008/12/24,ACS,All Solvent Removed,TRUE,301.1,0.35084003,0.648076923,weak,
643,2009[Zn][pcu]3[ASR]2,cg900349c_si_002_1_ASR_pacman,-,NC1=NN=C[N]1.NC1=[N]=CN=N1.[Zn][S]([Zn])[Zn] MOFid-v1.unknown.cat0;cg900349c_si_002_1_ASR_pacman,unknown,6.42145,2.85127,6.42145,1.46944,0,0,0,438.285,1015.39,691.006,2494.02,0.5778,0.393212,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,I 2 2 3,197,Zn,No,N/A,PACMAN-DDEC6,15.40067935,0.694338131,0.026648648,0.789076555,0.044058021,0.815063388,0.046249664,0.001207253,0.343620966,248,SI,10.1021/cg900349c,2009,2009/6/11,ACS,All Solvent Removed,FALSE,340.8,0.89380753,0.569071429,none,
644,2010[Zn][pts]3[ASR]1,cg901114e_si_001_ASR_pacman,-,unknown,unknown,4.00336,3.33924,3.83309,1.25542,52.347,334.801,266.685,7.16337,45.8155,36.4943,855.248,0.547,0.435712,0,0,0,3,pts,unnamed,pts,unnamed,1,3,-P 2yc,13,Zn,No,N/A,PACMAN-DDEC6,12.84819304,0.875600427,0.016697695,0.982673325,0.015706817,1.038921531,0.017187753,0.001633211,0.394107898,92,SI,10.1021/cg901114e,2010,2010/1/15,ACS,All Solvent Removed,FALSE,321,0.53262585,0.6625,weak,
645,2007[Zn][nan]3[ASR]1,cm0623918si20061006_115210_1_ASR_pacman,-,C1=N[N]C=N1.[N]1=CN=NC=1.[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;cm0623918si20061006_115210_1_ASR_pacman,unknown,4.81423,2.47825,4.81128,1.26993,0,0,0,459.986,914.057,719.77,2796.98,0.5558,0.437662,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.65916842,0.797842975,0.022974899,0.903197923,0.033540203,0.954606387,0.047390727,0.001567634,0.336543814,304,SI,10.1021/cm0623918,2007,2007/2/21,ACS,All Solvent Removed,FALSE,375.9,0.89760303,0.839574468,unknown,
646,2007[Zn][nan]3[ASR]2,cm0623918si20061006_115210_2_ASR_pacman,-,C1=N[N]C=N1.[N]1=CN=NC=1.[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;cm0623918si20061006_115210_2_ASR_pacman,unknown,5.17865,3.17816,5.16968,1.2255,0,0,0,566.937,1087.17,887.123,2958.87,0.5674,0.462993,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2c -2n,33,Zn,Yes,Zn,PACMAN-DDEC6,12.65916842,0.793796913,0.021621797,0.901320445,0.034211498,0.943223116,0.04660076,0.001494262,0.356455113,304,SI,10.1021/cm0623918,2007,2007/2/21,ACS,All Solvent Removed,FALSE,380.7,0.90460736,0.859574468,unknown,
647,2020[Cu][tbo]3[ASR]4,cm0c00440_si_001_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm0c00440_si_001_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm0c00440_si_001_ASR_pacman,13.17246,6.57882,13.17246,0.881994,976.191,2143.03,2429.75,0,0,0,3264.25,0.7166,0.812478,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.742437088,0.013186249,0.808038313,0.026098405,0.865316734,0.035380254,0.001228796,0.375185283,156,SI,10.1021/acs.chemmater.0c00440,2020,2020/6/8,ACS,All Solvent Removed,FALSE,325.2,0.94915146,0.958678571,weak,
648,2020[Cu][tbo]3[ASR]5,cm0c00440_si_002_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm0c00440_si_002_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm0c00440_si_002_ASR_pacman,13.17246,6.57882,13.17246,0.881994,974.097,2138.43,2424.54,0,0,0,3264.25,0.7166,0.812478,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.742185274,0.013250012,0.808102562,0.026076823,0.865323436,0.035390778,0.001231382,0.374220188,156,SI,10.1021/acs.chemmater.0c00440,2020,2020/6/8,ACS,All Solvent Removed,FALSE,325.3,0.9495855,0.958678571,weak,
649,2020[Cu][tbo]3[ASR]6,cm0c00440_si_003_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm0c00440_si_003_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm0c00440_si_003_ASR_pacman,13.17296,6.57005,13.17296,0.881994,968.718,2126.62,2411.15,0,0,0,3294.32,0.7232,0.819961,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.742246627,0.013304377,0.808069088,0.026055955,0.865314993,0.035368029,0.001230684,0.374470954,156,SI,10.1021/acs.chemmater.0c00440,2020,2020/6/8,ACS,All Solvent Removed,FALSE,325.3,0.94948244,0.958678571,weak,
650,2020[Zr][scu]3[ASR]1,cm0c00634_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.scu.cat0;cm0c00634_si_002_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu.cat0;cm0c00634_si_002_ASR_pacman,12.18717,10.2476,12.18559,0.662288,1073.34,2106.08,3180,0,0,0,3870.2,0.7594,1.14663,0,0,0,3,scu,unnamed,scu,unnamed,1,3,-C 2 2,65,Zr,No,N/A,PACMAN-DDEC6,12.54704049,0.77517003,0.007258755,0.891105678,0.006361354,0.991406311,0.004794737,0.002162363,0.129067022,162,SI,10.1021/acs.chemmater.0c00634,2020,2020/4/8,ACS,All Solvent Removed,FALSE,359.2,0.77333224,0.95,strong,
651,2021[Zn][nan]3[ASR]1,cm0c00745_si_002_ASR_pacman,-,unknown,[Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cm0c00745_si_002_ASR_pacman,11.63526,10.83428,11.63526,1.21914,211.176,1590.78,1304.83,0,0,0,880.402,0.6632,0.543989,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,18.04766,0.67158339,0.008656559,0.748388018,0.015110944,0.797192004,0.016938631,0.001256086,0.299424319,54,SI,10.1021/acs.chemmater.0c00745,2021,2021/4/6,ACS,All Solvent Removed,FALSE,380.6,0.9384697,0.309904762,weak,
652,2021[Zn][nan]3[ASR]2,cm0c00745_si_003_ASR_pacman,-,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;cm0c00745_si_003_ASR_pacman,[Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cm0c00745_si_003_ASR_pacman,11.66157,10.86424,11.66157,1.21695,211.521,1590.51,1306.96,0,0,0,883.582,0.6644,0.545954,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,18.04766,0.671452944,0.008108957,0.747725258,0.015330898,0.789653124,0.019284632,0.001182002,0.322576476,54,SI,10.1021/acs.chemmater.0c00745,2021,2021/4/6,ACS,All Solvent Removed,FALSE,380.1,0.9389206,0.309904762,weak,
653,2010[Fe][bpq]3[ASR]1,cm1008587_si_002_ASR_pacman,-,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O] MOFid-v1.rna.cat0;cm1008587_si_002_ASR_pacman,[Fe1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;cm1008587_si_002_ASR_pacman,3.00773,2.78045,3.00773,1.56689,0,0,0,0,0,0,435.108,0.435,0.27762,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-C 2yc,15,Fe,No,N/A,PACMAN-DDEC6,13.10885333,0.870493856,0.015947484,0.967241799,0.01556953,1.041674283,0.015069614,0.001711804,0.360671819,72,SI,10.1021/cm1008587,2010,2010/6/25,ACS,All Solvent Removed,FALSE,307.2,0.5171888,0.405,weak,
654,2014[Eu][esg]3[ASR]1,cm500700z_si_002_ASR_pacman,-,"[Eu].[O-]C(=O)c1ccc(cc1)[C]1N[C](N[C](N1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.esg,sql.cat0;cm500700z_si_002_ASR_pacman","[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][N][CH0][Branch2][Ring1][#Branch1][N][CH0][Branch1][Ring2][N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.esg,sql.cat0;cm500700z_si_002_ASR_pacman",6.28049,4.64312,6.28049,0.925759,1044.99,2454.6,2651.45,0,0,0,2848.97,0.6692,0.722866,0,0,0,3,esg,unnamed,esg,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,12.10931429,0.756130026,0.029312452,0.853995036,0.046945312,0.916009754,0.057245446,0.001598797,0.282465889,196,SI,10.1021/cm500700z,2014,2014/4/23,ACS,All Solvent Removed,FALSE,309.8,0.6293889,0.82,none,
655,2014[In][nan]3[ASR]1,cm500700z_si_003_ASR_pacman,-,[In].[O-]C(=O)C(=O)[O-].[O-]C(=O)c1ccc(cc1)[C]1N[C](N[C](N1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;cm500700z_si_003_ASR_pacman,[C24In6O48_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][N][CH0][Branch2][Ring1][#Branch1][N][CH0][Branch1][Ring2][N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;cm500700z_si_003_ASR_pacman,7.1167,5.06411,7.1167,1.05655,3648.09,1945.59,1841.45,0,0,0,11576.6,0.6174,0.584354,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-I 2b 2c,73,In,No,N/A,PACMAN-DDEC6,12.74611795,0.789186917,0.020927329,0.889259426,0.034903483,0.952304278,0.045352634,0.001631174,0.306006108,936,SI,10.1021/cm500700z,2014,2014/4/23,ACS,All Solvent Removed,TRUE,336.5,0.716943,0.5005,none,
656,2014[Cu][tbo]3[ASR]3,cm501138g_si_002_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm501138g_si_002_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm501138g_si_002_ASR_pacman,13.2781,6.68961,13.2781,0.886331,948,2091.37,2359.59,0,0,0,3260.07,0.7192,0.811435,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.743722048,0.013958388,0.805361567,0.027331949,0.860471445,0.038733825,0.001167494,0.39456213,156,SI,10.1021/cm501138g,2014,2014/8/5,ACS,All Solvent Removed,TRUE,308.1,0.9488486,0.441178571,weak,
657,0000[Cu][tbo]3[ASR]2,cm501138g_si_005_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm501138g_si_005_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm501138g_si_005_ASR_pacman,13.19618,6.58166,13.19618,0.888494,3846.04,2126.36,2393.21,0,0,0,12900,0.7132,0.802707,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.746336605,0.012487783,0.802141422,0.027666574,0.864830141,0.034873241,0.001184935,0.389708682,624,SI,10.1021/cm501138g,unknown,unknown,ACS,All Solvent Removed,FALSE,276.1,0.92043626,0.958678571,weak,
658,2014[Cu][tbo]3[ASR]4,cm501138g_si_007_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm501138g_si_007_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm501138g_si_007_ASR_pacman,13.27286,6.71176,13.27286,0.882932,3796.91,2086.05,2362.64,0,0,0,12959.4,0.712,0.806404,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.747743025,0.012404089,0.802991038,0.027926746,0.863596067,0.035859629,0.00115853,0.39929106,624,SI,10.1021/cm501138g,2014,2014/8/5,ACS,All Solvent Removed,FALSE,274.1,0.9295515,0.928678571,weak,
659,2014[Cu][tbo]3[ASR]5,cm501138g_si_008_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm501138g_si_008_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm501138g_si_008_ASR_pacman,13.1845,6.61699,12.15817,0.885,3848.95,2119.59,2395.02,0,0,0,12943.7,0.7128,0.805424,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.748177143,0.012475741,0.802762789,0.029284035,0.867727966,0.035240481,0.001195508,0.387794751,624,SI,10.1021/cm501138g,2014,2014/8/5,ACS,All Solvent Removed,FALSE,275.6,0.9199854,0.958678571,weak,
660,2014[Cu][tbo]3[ASR]6,cm501138g_si_009_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;cm501138g_si_009_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;cm501138g_si_009_ASR_pacman,13.19533,6.69333,13.19533,0.878777,3849.08,2104.76,2395.1,0,0,0,13042.6,0.7132,0.811583,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.749747417,0.012017892,0.803226989,0.029630503,0.869022728,0.035365698,0.001192753,0.38986879,624,SI,10.1021/cm501138g,2014,2014/8/5,ACS,All Solvent Removed,FALSE,274.3,0.91954404,0.958678571,weak,
661,2014[Zn][nan]2[ASR]3,cm503767r_si_002_ASR_pacman,-,[Zn][OH][Zn].c1ncn(c1)c1ccc(cc1)N(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat0;cm503767r_si_002_ASR_pacman,[H1O1Zn2_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;cm503767r_si_002_ASR_pacman,11.94829,11.34475,11.92772,0.870248,995.887,1260.9,1448.9,0,0,0,4909.53,0.6216,0.714279,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,9.076951053,0.912542017,0.053229213,0.99970308,0.097929006,1.065105597,0.098868247,0.001525636,0.458477702,456,SI,10.1021/cm503767r,2014,2014/12/22,ACS,All Solvent Removed,TRUE,350.5,0.86869264,0.91,weak,
662,2015[Zn][nan]2[ASR]3,cm5b04306_si_001_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn].[Zn][Zn].n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;cm5b04306_si_001_1_ASR_pacman,[C2O4Zn1_Type-1].[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;cm5b04306_si_001_1_ASR_pacman,8.91532,5.96302,8.90945,0.776235,989.64,1961.72,2527.23,0,0,0,3478.86,0.6896,0.888391,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.43417735,0.868801075,0.032938229,0.971589204,0.062588358,1.026784683,0.075373504,0.001579836,0.402782364,226,SI,10.1021/acs.chemmater.5b04306,2015,2015/12/21,ACS,All Solvent Removed,FALSE,326.3,0.34839034,0.72,weak,
663,2015[Zn][nan]3[ASR]6,cm5b04306_si_001_2_ASR_pacman,-,unknown,[C6O12Zn3_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cm5b04306_si_001_2_ASR_pacman,16.80153,14.55749,16.80153,0.681965,2626.82,1701.05,2494.33,0,0,0,11087.6,0.718,1.05284,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Zn,Yes,Zn,PACMAN-DDEC6,10.26173825,0.874747507,0.041833728,0.959543739,0.071169271,1.012357699,0.073678434,0.001376102,0.467247309,618,SI,10.1021/acs.chemmater.5b04306,2015,2015/12/21,ACS,All Solvent Removed,TRUE,350.5,0.9129609,0.437222222,weak,
664,2017[Ni][hms]3[ASR]1,cm6b05277_si_004_ASR_pacman,-,[Ni].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.hms.cat1;cm6b05277_si_004_ASR_pacman,[C3Ni1O6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.hms.cat1;cm6b05277_si_004_ASR_pacman,3.11102,2.44478,3.1003,1.52424,0,0,0,0,0,0,1043.78,0.3784,0.248256,0,0,0,3,hms,unnamed,hms,unnamed,2,3,-P 6c 2,193,Ni,No,N/A,PACMAN-DDEC6,10.82035487,0.905668839,0.023305344,1.010805395,0.040686267,1.083681548,0.058325106,0.001780127,0.377007452,234,SI,10.1021/acs.chemmater.6b05277,2017,2017/4/26,ACS,All Solvent Removed,TRUE,261.2,0.86880267,0.824857143,weak,
665,2017[Al][nan]3[ASR]4,cm7b03203_si_003_ASR_pacman,-,[Al].[Al][O]([Al])[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O] MOFid-v1.unknown.cat0;cm7b03203_si_003_ASR_pacman,[Al1_Type-1].[Al3C6O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.UNKNOWN.cat0;cm7b03203_si_003_ASR_pacman,8.34433,6.53426,8.34433,1.06466,641.086,1158.18,1087.85,227.133,410.337,385.418,3307.88,0.5976,0.561308,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 6c 2c,194,Al,Yes,Al,PACMAN-DDEC6,13.34187807,0.886182796,0.013386764,0.996429117,0.021962337,1.059781061,0.026887838,0.001735983,0.373203729,266,SI,10.1021/acs.chemmater.7b03203,2017,2017/12/4,ACS,All Solvent Removed,FALSE,394.3,0.5152655,0.61,none,
666,2018[Ag][sql]2[ASR]2,cm8b00611_si_005_1_ASR_pacman,-,[Ag][Ag]1[Ag]234[Ag]1([Ag]4[Ag])([Ag][Ag]3)[Ag][Ag]2.n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;cm8b00611_si_005_1_ASR_pacman,unknown,6.76574,5.53782,6.74471,1.26516,573.377,2029.83,1604.4,0,0,0,1805.02,0.639,0.505075,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ag,Yes,Ag,PACMAN-DDEC6,14.54159608,0.667940321,0.032010231,0.720396147,0.059414094,0.787115067,0.05547821,0.001191747,0.308038901,148,SI,10.1021/acs.chemmater.8b00611,2018,2018/3/13,ACS,All Solvent Removed,FALSE,299.3,0.9220922,0.68,none,
667,2018[Ag][sql]2[ASR]3,cm8b00611_si_005_2_ASR_pacman,-,[Ag][Ag]1[Ag]234[Ag]1([Ag]4[Ag])([Ag][Ag]3)[Ag][Ag]2.n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;cm8b00611_si_005_2_ASR_pacman,unknown,6.81971,5.5903,6.81971,1.25975,573.901,2022.99,1605.87,0,0,0,1820.72,0.6418,0.509467,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ag,Yes,Ag,PACMAN-DDEC6,14.54159608,0.667723588,0.031679524,0.719412747,0.059183156,0.785432904,0.055320943,0.001177093,0.312207141,148,SI,10.1021/acs.chemmater.8b00611,2018,2018/3/13,ACS,All Solvent Removed,FALSE,299.5,0.9219347,0.68,none,
668,2018[Ag][sql]2[ASR]4,cm8b00611_si_005_3_ASR_pacman,-,[Ag][Ag][Ag]12[Ag]([Ag]2([Ag]1[Ag])[Ag][Ag])[Ag].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;cm8b00611_si_005_3_ASR_pacman,unknown,6.86104,5.63926,6.86104,1.25216,576.83,2021.06,1614.06,0,0,0,1843.17,0.6458,0.515749,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ag,Yes,Ag,PACMAN-DDEC6,14.54159608,0.667308198,0.031597641,0.717645908,0.059707054,0.784942999,0.056217351,0.001176348,0.311577234,148,SI,10.1021/acs.chemmater.8b00611,2018,2018/3/13,ACS,All Solvent Removed,FALSE,300.1,0.92160934,0.68,none,
669,2018[Ag][sql]2[ASR]5,cm8b00611_si_005_4_ASR_pacman,-,[Ag][Ag][Ag]12[Ag]([Ag]2([Ag]1[Ag])[Ag][Ag])[Ag].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;cm8b00611_si_005_4_ASR_pacman,unknown,6.94151,5.71292,6.94151,1.24315,576.282,2004.61,1612.53,0,0,0,1874.36,0.652,0.524476,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ag,Yes,Ag,PACMAN-DDEC6,14.54159608,0.666221786,0.031779252,0.71794082,0.059521105,0.783950937,0.056010167,0.001177292,0.310652487,148,SI,10.1021/acs.chemmater.8b00611,2018,2018/3/13,ACS,All Solvent Removed,FALSE,300.4,0.9206742,0.67,none,
670,2018[Ag][sql]2[ASR]6,cm8b00611_si_005_5_ASR_pacman,-,[Ag][Ag][Ag]12[Ag]([Ag]2([Ag]1[Ag])[Ag][Ag])[Ag].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;cm8b00611_si_005_5_ASR_pacman,unknown,7.04359,5.76447,7.01296,1.23333,579.326,1999.28,1621.05,0,0,0,1894.5,0.6538,0.530112,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ag,Yes,Ag,PACMAN-DDEC6,14.54159608,0.65757171,0.03457295,0.694896168,0.069972517,0.718255602,0.072432536,0.000606839,0.47784754,148,SI,10.1021/acs.chemmater.8b00611,2018,2018/3/13,ACS,All Solvent Removed,FALSE,300.9,0.92021513,0.67,none,
671,2018[Cu][nan]3[ASR]2,cm8b00681_si_002_ASR_pacman,-,"O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu] MOFid-v1.ths,ERROR.cat1;cm8b00681_si_002_ASR_pacman","[C2Cu1O4_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ths,ERROR.cat1;cm8b00681_si_002_ASR_pacman",3.9725,3.30626,3.9725,1.56704,0,0,0,34.6058,234.76,149.811,576.663,0.3912,0.249642,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.592324,0.862408371,0.02351541,0.973082073,0.041602455,1.031659642,0.053439809,0.001692513,0.363337252,120,SI,10.1021/acs.chemmater.8b00681,2018,2018/4/3,ACS,All Solvent Removed,TRUE,303.5,0.9353978,0.435,weak,
672,2018[Cu][nan]3[ASR]3,cm8b00681_si_003_ASR_pacman,-,unknown,"[C2Cu1O4_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ths,ERROR.cat1;cm8b00681_si_003_ASR_pacman",3.95758,3.28352,3.95758,1.57622,0,0,0,33.1174,225.979,143.368,580.927,0.3964,0.251487,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.592324,0.863897109,0.02309536,0.978392207,0.04065877,1.032967016,0.053746341,0.001690699,0.366674099,120,SI,10.1021/acs.chemmater.8b00681,2018,2018/4/3,ACS,All Solvent Removed,FALSE,304.5,0.93532956,0.435,weak,
673,2018[Cu][nan]3[ASR]4,cm8b00681_si_004_ASR_pacman,-,"O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu] MOFid-v1.ths,ERROR.cat1;cm8b00681_si_004_ASR_pacman","[C2Cu1O4_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ths,ERROR.cat1;cm8b00681_si_004_ASR_pacman",3.97446,3.30997,3.97221,1.56798,0,0,0,36.7303,249.321,159.008,591.053,0.4012,0.255871,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.592324,0.862429319,0.023244677,0.97301798,0.042019972,1.031567981,0.053657051,0.001691387,0.363686439,120,SI,10.1021/acs.chemmater.8b00681,2018,2018/4/3,ACS,All Solvent Removed,FALSE,304.5,0.93523544,0.435,weak,
674,2018[Cu][nan]3[ASR]5,cm8b00681_si_005_ASR_pacman,-,"O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu] MOFid-v1.ths,ERROR.cat1;cm8b00681_si_005_ASR_pacman","[C2Cu1O4_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ths,ERROR.cat1;cm8b00681_si_005_ASR_pacman",4.11152,3.3812,4.11152,1.54591,53.8628,360.47,233.176,0,0,0,577.971,0.3868,0.250208,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.592324,0.86063302,0.022638524,0.959281157,0.052916126,1.016721041,0.059230592,0.00156088,0.399237003,120,SI,10.1021/acs.chemmater.8b00681,2018,2018/4/3,ACS,All Solvent Removed,FALSE,325.9,0.93272686,0.445,weak,
675,2018[Cu][nan]3[ASR]6,cm8b00681_si_006_ASR_pacman,-,"O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu] MOFid-v1.ths,ERROR.cat1;cm8b00681_si_006_ASR_pacman","[C2Cu1O4_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ths,ERROR.cat1;cm8b00681_si_006_ASR_pacman",4.12606,3.36172,4.12606,1.5408,53.7133,358.281,232.529,0,0,0,614.071,0.4096,0.265836,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.592324,0.859954465,0.023817933,0.97314182,0.041857045,1.033468833,0.053973209,0.001735144,0.348221421,120,SI,10.1021/acs.chemmater.8b00681,2018,2018/4/3,ACS,All Solvent Removed,FALSE,325.7,0.9325551,0.445,weak,
676,2018[Cu][nan]3[ASR]7,cm8b00681_si_007_ASR_pacman,-,"O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu] MOFid-v1.ths,ERROR.cat1;cm8b00681_si_007_ASR_pacman","[C2Cu1O4_Type-1].[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ths,ERROR.cat1;cm8b00681_si_007_ASR_pacman",4.14793,3.3716,4.13776,1.53594,56.7501,377.343,245.675,0,0,0,618.72,0.4114,0.267849,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,11.592324,0.863280927,0.024480582,0.97414016,0.041200075,1.034743407,0.053960117,0.001714625,0.357269482,120,SI,10.1021/acs.chemmater.8b00681,2018,2018/4/3,ACS,All Solvent Removed,FALSE,326.3,0.9324349,0.445,weak,
677,2018[Cu][kgm]2[ASR]1,cm8b01603_si_002_ASR_pacman,-,COC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.kgm.cat0;cm8b01603_si_002_ASR_pacman,[C4Cu2O8_Type-1].[C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgm.cat0;cm8b01603_si_002_ASR_pacman,6.55349,4.71526,6.55349,1.37823,177.793,860.855,624.609,0,0,0,1012.42,0.4902,0.355673,0,0,0,2,kgm,unnamed,kgm,unnamed,1,2,-P 3,147,Cu,Yes,Cu,PACMAN-DDEC6,12.42161043,0.828151901,0.008193403,0.917450959,0.009377482,1.02706478,0.008927963,0.001989129,0.228027472,138,SI,10.1021/acs.chemmater.8b01603,2018,2018/7/16,ACS,All Solvent Removed,TRUE,258.1,0.74741185,0.480285714,weak,
678,2018[Cu][kgm]2[ASR]2,cm8b01603_si_003_ASR_pacman,-,COC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.kgm.cat0;cm8b01603_si_003_ASR_pacman,[C4Cu2O8_Type-1].[C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgm.cat0;cm8b01603_si_003_ASR_pacman,6.62985,5.20143,6.62985,1.18701,272.316,1135.59,956.679,0,0,0,1328.5,0.554,0.466718,0,0,0,2,kgm,unnamed,kgm,unnamed,1,2,P 1,1,Cu,Yes,Cu,PACMAN-DDEC6,12.42161043,0.881416373,0.00476786,0.976976277,0.008147836,1.067508497,0.007617466,0.001860921,0.323977948,138,SI,10.1021/acs.chemmater.8b01603,2018,2018/7/16,ACS,All Solvent Removed,TRUE,257.7,0.6513709,0.432785714,weak,
679,2018[Co][nan]3[ASR]3,cm8b03276_si_002_ASR_pacman,-,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1[O])[O] MOFid-v1.unknown.cat0;cm8b03276_si_002_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][=Branch1][C][=C][Ring1][=Branch2][OH0][OH0] MOFid-v2.UNKNOWN.cat0;cm8b03276_si_002_ASR_pacman,11.08197,9.89273,11.08197,1.18457,210.962,1608.01,1357.47,0,0,0,843.581,0.643,0.542815,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.702380644,0.009022312,0.773285002,0.009281797,0.846138042,0.005536139,0.001437574,0.270783669,54,SI,10.1021/acs.chemmater.8b03276,2018,2018/11/7,ACS,All Solvent Removed,TRUE,229.8,0.929202,0.180285714,weak,
680,2018[Co][nan]3[ASR]4,cm8b03276_si_003_ASR_pacman,-,[Co].[O-]C(=O)[C]1C=C(C(=O)[O-])C(=O)[CH]C1=O MOFid-v1.unknown.cat0;cm8b03276_si_003_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][CH0][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][CH1][C][Ring1][#Branch2][=O] MOFid-v2.UNKNOWN.cat0;cm8b03276_si_003_ASR_pacman,11.22991,10.00387,11.22991,1.18395,203.276,1548.62,1308.01,0,0,0,850.058,0.6476,0.546983,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.693187115,0.011762094,0.755258355,0.0170243,0.843648423,0.007377731,0.001504613,0.237416722,54,SI,10.1021/acs.chemmater.8b03276,2018,2018/11/7,ACS,All Solvent Removed,FALSE,228.9,0.93107694,0.180285714,weak,
681,2018[Co][nan]3[ASR]5,cm8b03276_si_004_ASR_pacman,-,[Co].[O-]C(=O)[C]1C=C(C(=O)[O-])C(=O)[CH]C1=O MOFid-v1.unknown.cat0;cm8b03276_si_004_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][CH0][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][CH1][C][Ring1][#Branch2][=O] MOFid-v2.UNKNOWN.cat0;cm8b03276_si_004_ASR_pacman,11.22917,10.00317,11.19991,1.18386,211.74,1612.98,1362.48,0,0,0,850.125,0.6476,0.547026,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.693164251,0.011746692,0.755244552,0.016997763,0.843600887,0.007361891,0.001504366,0.237475003,54,SI,10.1021/acs.chemmater.8b03276,2018,2018/11/7,ACS,All Solvent Removed,FALSE,228.6,0.93112063,0.180285714,weak,
682,2018[Co][nan]3[ASR]6,cm8b03276_si_005_ASR_pacman,-,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1[O])[O] MOFid-v1.unknown.cat0;cm8b03276_si_005_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][=Branch1][C][=C][Ring1][=Branch2][OH0][OH0] MOFid-v2.UNKNOWN.cat0;cm8b03276_si_005_ASR_pacman,11.24046,10.03236,11.2383,1.17315,203.437,1535.72,1309.05,0,0,0,846.489,0.639,0.544686,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.706992349,0.005816701,0.773576325,0.006209203,0.839954071,0.005658489,0.001329617,0.308141554,54,SI,10.1021/acs.chemmater.8b03276,2018,2018/11/7,ACS,All Solvent Removed,FALSE,228.1,0.9305682,0.180285714,weak,
683,2018[Co][nan]3[ASR]7,cm8b03276_si_006_ASR_pacman,-,[Co].[O-]C(=O)[C]1C=C(C(=O)[O-])C(=O)[CH]C1=O MOFid-v1.unknown.cat0;cm8b03276_si_006_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][CH0][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][CH1][C][Ring1][#Branch2][=O] MOFid-v2.UNKNOWN.cat0;cm8b03276_si_006_ASR_pacman,11.22522,9.99864,11.22522,1.18395,203.153,1547.68,1307.22,0,0,0,849.795,0.6474,0.546814,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.693199929,0.011546173,0.755248148,0.01702764,0.84359781,0.007317126,0.001503979,0.237622711,54,SI,10.1021/acs.chemmater.8b03276,2018,2018/11/7,ACS,All Solvent Removed,FALSE,228.9,0.93102115,0.180285714,weak,
684,2018[Ni][nan]3[ASR]1,cm8b03621_si_003_ASR_pacman,-,Nc1cc(C(=O)[O-])c(c(c1)C(=O)[O-])C(=O)[O-].[Ni].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;cm8b03621_si_003_ASR_pacman,[C6Ni3O12_Type-1].[N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;cm8b03621_si_003_ASR_pacman,5.07307,3.56004,5.07307,1.25713,289.726,1175.81,935.315,0,0,0,1247.8,0.5064,0.402824,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,11.23747422,0.871155429,0.027341693,0.978999694,0.054377348,1.024547052,0.064302762,0.001533916,0.421363378,166,SI,10.1021/acs.chemmater.8b03621,2018,2018/10/23,ACS,All Solvent Removed,FALSE,291.1,0.54735327,0.651333333,strong,
685,2018[Ni][nan]3[ASR]2,cm8b03621_si_004_ASR_pacman,-,unknown,[C6Ni3O12_Type-2].[N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;cm8b03621_si_004_ASR_pacman,5.57406,3.92255,5.56876,1.12276,842.542,1446.19,1288.06,0.349293,0.599546,0.533993,3190.3,0.5476,0.487726,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,10.82181231,0.878787584,0.029124682,0.99161091,0.060322432,1.028810971,0.06841,0.001500234,0.441321301,364,SI,10.1021/acs.chemmater.8b03621,2018,2018/10/23,ACS,All Solvent Removed,FALSE,319,0.79920614,0.694578422,strong,
686,2018[Ni][nan]3[ASR]3,cm8b03621_si_005_ASR_pacman,-,Nc1cc(C(=O)[O-])c(c(c1)C(=O)[O-])C(=O)[O-].Nc1cnccc1c1ccncc1.[Ni] MOFid-v1.unknown.cat0;cm8b03621_si_005_ASR_pacman,[C6Ni3O12_Type-1].[N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;cm8b03621_si_005_ASR_pacman,5.28079,3.64571,5.2775,1.29332,216.054,873.927,675.724,10.6689,43.1552,33.3678,1196.06,0.4838,0.374076,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,11.06597287,0.872776654,0.029904539,0.994189808,0.05656465,1.036965433,0.065378907,0.001641888,0.393316571,174,SI,10.1021/acs.chemmater.8b03621,2018,2018/10/23,ACS,All Solvent Removed,FALSE,353.3,0.7552103,0.793784771,strong,
687,2018[Ni][nan]3[ASR]4,cm8b03621_si_007_ASR_pacman,-,Nc1cc(C(=O)[O-])c(c(c1)C(=O)[O-])C(=O)[O-].[Ni].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;cm8b03621_si_007_ASR_pacman,[C6Ni3O12_Type-1].[N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;cm8b03621_si_007_ASR_pacman,5.02734,3.55649,5.02734,1.25721,293.224,1190.08,946.605,0,0,0,1235.4,0.5014,0.39882,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,11.23747422,0.871525409,0.027593715,0.981055404,0.05420926,1.024985755,0.063957043,0.001534603,0.422077646,166,SI,10.1021/acs.chemmater.8b03621,2018,2018/10/23,ACS,All Solvent Removed,FALSE,293.1,0.55436665,0.651333333,strong,
688,2018[Ni][nan]3[ASR]5,cm8b03621_si_009_ASR_pacman,-,Nc1cc(C(=O)[O-])c(c(c1)C(=O)[O-])C(=O)[O-].[Ni].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.ERROR.cat0;cm8b03621_si_009_ASR_pacman,[C6Ni3O12_Type-2].[N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;cm8b03621_si_009_ASR_pacman,5.66002,3.80897,5.66002,1.14401,398.921,1395.38,1219.73,0,0,0,1550.08,0.5422,0.473948,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,10.82181231,0.875772516,0.029998151,0.981898805,0.061552733,1.023311375,0.065903268,0.001475389,0.443941558,182,SI,10.1021/acs.chemmater.8b03621,2018,2018/10/23,ACS,All Solvent Removed,FALSE,306.4,0.72946966,0.674578422,strong,
689,2019[Zr][scu]3[ASR]3,cm9b01258_si_003_ASR_pacman,-,unknown,"[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Branch1][#Branch1][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu,tty.cat1;cm9b01258_si_003_ASR_pacman",10.63331,5.09641,10.63331,0.921084,1558.62,1885.18,2046.7,0,0,0,5173.96,0.6258,0.679417,0,0,0,3,scu,unnamed,scu,unnamed,2,3,-C 2b 2,67,Zr,Yes,Zr,PACMAN-DDEC6,11.35145228,0.80866194,0.035241002,0.91584978,0.056497303,0.96967543,0.065876997,0.001610135,0.334515172,404,SI,10.1021/acs.chemmater.9b01258,2019,2019/7/22,ACS,All Solvent Removed,FALSE,422.7,0.88449603,0.91,none,
690,2019[Zr][scu]3[ASR]4,cm9b01258_si_009_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.scu,tty.cat1;cm9b01258_si_009_ASR_pacman","[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Branch1][#Branch1][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu,tty.cat1;cm9b01258_si_009_ASR_pacman",10.6532,5.07152,10.6532,0.916401,1577.07,1897.8,2070.93,0,0,0,5233.64,0.6298,0.687254,0,0,0,3,scu,unnamed,scu,unnamed,2,3,-C 2b 2,67,Zr,Yes,Zr,PACMAN-DDEC6,11.35145228,0.808218971,0.03549377,0.914660479,0.056454629,0.970067534,0.066643285,0.001618486,0.331179025,404,SI,10.1021/acs.chemmater.9b01258,2019,2019/7/22,ACS,All Solvent Removed,FALSE,422.9,0.8809848,0.91,none,
691,2017[Ag][sqc]2[ASR]1,cs6b03404_si_002_ASR_pacman,-,"[Ag][Ag].[O-]C(=O)c1ccc(cc1)C(=C(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.sql,hcb.cat0;cs6b03404_si_002_ASR_pacman","[Ag4C4O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql,hcb.cat0;cs6b03404_si_002_ASR_pacman",10.66855,9.77424,10.66855,1.11653,452.104,1624.02,1454.52,0,0,0,1840.69,0.6612,0.59219,0,0,0,2,sqc483,unnamed,sqc1390,unnamed,1,3,-C 2yc,15,Ag,Yes,Ag,PACMAN-DDEC6,16.13648345,0.61583056,0.017314227,0.684884546,0.037726559,0.722339763,0.041976812,0.001065092,0.301569413,116,SI,10.1021/acscatal.6b03404,2017,2017/2/22,ACS,All Solvent Removed,FALSE,378.2,0.95549953,0.39,weak,
692,2017[Ag][sqc]3[ASR]1,cs6b03404_si_003_ASR_pacman,-,unknown,[Ag2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;cs6b03404_si_003_ASR_pacman,10.03565,8.70295,10.01196,1.14094,895.549,1643.63,1440.59,0,0,0,3657.1,0.6712,0.588285,0,0,0,3,sqc483,unnamed,sqc1390,unnamed,1,3,-P 2ybc,14,Ag,Yes,Ag,PACMAN-DDEC6,16.13648345,0.619654067,0.017136434,0.697436179,0.02985762,0.736169554,0.039471851,0.001165155,0.276615731,232,SI,10.1021/acscatal.6b03404,2017,2017/2/22,ACS,All Solvent Removed,FALSE,392.2,0.971892,0.55,weak,
693,2019[Zn][hcb]2[ASR]3,cs8b04962_si_002_ASR_pacman,-,"NC(=O)CN(Cc1ccc2c(n1)cccc2)CCCCN(Cc1ccc2c(n1)cccc2)CC(=O)N.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.hcb,ERROR.cat0;cs8b04962_si_002_ASR_pacman","[C2O4Zn1_Type-1].[N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb,ERROR.cat0;cs8b04962_si_002_ASR_pacman",4.76297,3.4784,4.68116,1.14357,106.025,773.798,676.65,0.0189376,0.138211,0.120859,690.028,0.5036,0.440375,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,9.250809804,0.9493442,0.041290386,1.089187918,0.061210494,1.152039392,0.064373639,0.002026952,0.354090666,102,SI,10.1021/acscatal.8b04962,2019,2019/2/25,ACS,All Solvent Removed,TRUE,351.8,0.92793024,0.638461538,strong,
694,2020[SiZr][scu]3[ASR]1,d0cc01186j2_2_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)[Si](c1ccc(cc1)C(=O)[O-])(O[Si](c1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C(=O)[O-])C)C.[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.scu,tty.cat0;d0cc01186j2_2_ASR_pacman","[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Si][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring2][=Branch1][O][Si][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C] MOFid-v2.scu,tty.cat0;d0cc01186j2_2_ASR_pacman",10.23605,7.94535,10.23605,0.850747,1436.14,1998.67,2349.31,0,0,0,5039.89,0.7014,0.824452,5.74838,0.0008,0.00094035,3,scu,unnamed,scu,unnamed,1,3,-I 2 2c,72,"Si,Zr",Yes,Zr,PACMAN-DDEC6,13.147584,0.769334719,0.030854924,0.854753951,0.045047721,0.924591799,0.049987946,0.001552571,0.306160375,280,SI,10.1039/D0CC01186J,2020,2020/6/11,RSC,All Solvent Removed,FALSE,315.5,0.8102468,0.82,none,
695,2021[Cd][tfz]3[ASR]1,d0cc02420a2_1_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.ERROR.cat1;d0cc02420a2_1_ASR_pacman,unknown,6.89108,4.58076,6.89108,1.04541,718.423,1626.62,1555.96,0,0,0,2599.65,0.5886,0.563033,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.30295122,0.792241475,0.029996857,0.88626253,0.059282615,0.938953911,0.072690257,0.001467124,0.358992446,246,SI,10.1039/D0CC02420A,2021,2021/5/1,RSC,All Solvent Removed,FALSE,502,0.58150125,0.837692308,unknown,
696,2021[Cd][tfz]3[ASR]2,d0cc02420a2_4_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.sql.cat1;d0cc02420a2_4_ASR_pacman,[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d0cc02420a2_4_ASR_pacman,7.18041,5.41385,7.17722,1.11589,580.048,1401.86,1256.27,0,0,0,2296.43,0.555,0.49736,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.30295122,0.800186769,0.029067083,0.911474105,0.046348617,0.961995886,0.064334585,0.001618091,0.324887012,246,SI,10.1039/D0CC02420A,2021,2021/5/1,RSC,All Solvent Removed,FALSE,413,0.42558628,0.83,strong,
697,2021[Cd][tfz]3[ASR]3,d0cc02420a2_7_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.sql.cat1;d0cc02420a2_7_ASR_pacman,[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d0cc02420a2_7_ASR_pacman,7.12147,5.36549,7.12147,1.12421,575.618,1401.52,1246.67,0,0,0,2322.98,0.5656,0.50311,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.30295122,0.798471113,0.028024322,0.8943954,0.057381722,0.939511669,0.070406407,0.001410406,0.383817446,246,SI,10.1039/D0CC02420A,2021,2021/5/1,RSC,All Solvent Removed,FALSE,382.2,0.33076704,0.89,strong,
698,2021[Th][fcu]3[ASR]1,d0cc02841j2_3_ASR_pacman,-,unknown,[C12O32Th6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;d0cc02841j2_3_ASR_pacman,13.67888,7.07915,13.67888,0.901998,1209.05,2217.62,2458.56,0,0,0,4138.07,0.759,0.841465,6.5424,0.0012,0.00133038,3,fcu,unnamed,fcu,unnamed,1,3,-F 4 2 3,225,Th,No,N/A,PACMAN-DDEC6,17.420524,0.560748065,0.027128898,0.619560895,0.037294851,0.662857529,0.043059851,0.001021095,0.257005706,170,SI,10.1039/D0CC02841J,2021,2021/5/11,RSC,All Solvent Removed,FALSE,364,0.19682688,0.31,weak,
699,2021[Th][fcu]3[ASR]2,d0cc02841j2_4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O]12[Th]34[O]5[Th]62[O]2[Th]71[O]4[Th]14[O]3[Th]35[O]6[Th]2([O]71)[O]43 MOFid-v1.fcu.cat0;d0cc02841j2_4_ASR_pacman,[C12O32Th6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;d0cc02841j2_4_ASR_pacman,9.53216,4.31912,9.53216,1.58348,532.46,2027.02,1280.1,0,0,0,1702.17,0.648,0.409225,6.30435,0.0024,0.00151565,3,fcu,unnamed,fcu,unnamed,1,3,-F 4 2 3,225,Th,No,N/A,PACMAN-DDEC6,22.77193927,0.487171671,0.018790864,0.537060123,0.024542625,0.5776447,0.028741095,0.00090473,0.217303231,110,SI,10.1039/D0CC02841J,2021,2021/5/11,RSC,All Solvent Removed,FALSE,378.7,0.1756255,0.3,weak,
700,2021[NiGe][pcu]3[ASR]1,d0cc03196h2_2_ASR_pacman,-,[Ni].n1ccncc1 MOFid-v1.sql.cat0;d0cc03196h2_2_ASR_pacman,unknown,4.08645,3.31052,4.08645,1.81188,12.0037,323.025,178.281,0,0,0,152.134,0.4094,0.225953,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 4 2,123,"Ni,Ge",No,N/A,PACMAN-DDEC6,14.48213354,0.75089075,0.009502169,0.830122818,0.010591382,0.931115734,0.007150279,0.00180225,0.206588987,28,SI,10.1039/D0CC03196H,2021,2021/6/13,RSC,All Solvent Removed,TRUE,244.2,0.88289297,0.43,strong,
701,2021[Ag][nan]2[ASR]1,d0cc03472j2_1_ASR_pacman,-,[Ag][Ag].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.hcb.cat0;d0cc03472j2_1_ASR_pacman,[Ag2C2O4_Type-1].[Ag4C4O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;d0cc03472j2_1_ASR_pacman,12.32183,11.43403,12.1352,1.30559,449.741,1164.69,892.078,0,0,0,2285.99,0.592,0.453435,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Ag,Yes,Ag,PACMAN-DDEC6,14.88252941,0.651943003,0.019671736,0.714491245,0.041726711,0.76400768,0.045170749,0.001120647,0.31792094,204,SI,10.1039/D0CC03472J,2021,2021/6/19,RSC,All Solvent Removed,FALSE,397.7,0.9281117,0.32,weak,
702,2021[Eu][fcu]3[ASR]2,d0cc04152a2_ASR_pacman,-,[O-]C(=O)c1cnc(nc1)c1ncc(cn1)C(=O)[O-].[O]12[Eu]34[O]5[Eu]62[O]2[Eu]71[O]4[Eu]14[O]3[Eu]35[O]6[Eu]2([O]71)[O]43 MOFid-v1.fcu.cat0;d0cc04152a2_ASR_pacman,[C12Eu6O32_Type-2].[O-1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;d0cc04152a2_ASR_pacman,14.28983,7.23189,14.28983,0.789282,1144.29,2171.45,2751.17,0,0,0,4048.18,0.7682,0.97329,5.26969,0.001,0.00126697,3,fcu,unnamed,fcu,unnamed,1,3,-F 4 2 3,225,Eu,No,N/A,PACMAN-DDEC6,17.15587781,0.668615826,0.014483201,0.714997832,0.027459559,0.802576655,0.036395951,0.001339608,0.259867204,146,SI,10.1039/D0CC04152A,2021,2021/7/30,RSC,All Solvent Removed,FALSE,425.2,0.39248458,0.47,weak,
703,2021[Co][nan]3[ASR]1,d0cc04543h2_1_ASR_pacman,-,[Co].[O-]C(=O)c1cc(cc(c1)c1cccnc1)C(=O)[O-] MOFid-v1.unknown.cat0;d0cc04543h2_1_ASR_pacman,[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0cc04543h2_1_ASR_pacman,6.02491,4.73803,6.02491,1.13744,239.197,1364.77,1199.86,0,0,0,951.339,0.5428,0.47721,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,11.54354519,0.863009171,0.023551761,0.966754975,0.051313926,1.014019425,0.061037037,0.001510103,0.419391972,104,SI,10.1039/D0CC04543H,2021,2021/8/26,RSC,All Solvent Removed,FALSE,412.1,0.6282625,0.79674512,unknown,
704,2021[Co][nan]3[ASR]2,d0cc04543h2_2_ASR_pacman,-,"[Co].[O-]C(=O)c1cc(cc(c1)c1cccnc1)C(=O)[O-] MOFid-v1.unknown,cds.cat0;d0cc04543h2_2_ASR_pacman","[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,cds.cat0;d0cc04543h2_2_ASR_pacman",6.23977,3.42236,6.20808,1.13022,209.302,1186.61,1049.9,0,0,0,959.537,0.544,0.481322,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,C -2yc,9,Co,Yes,Co,PACMAN-DDEC6,11.54354519,0.857034036,0.02458409,0.962830647,0.049372395,1.011326224,0.062165885,0.001542922,0.403707653,104,SI,10.1039/D0CC04543H,2021,2021/8/26,RSC,All Solvent Removed,TRUE,322.1,0.47025776,0.587857143,weak,
705,2021[Co][rtl]3[ASR]1,d0cc04543h2_3_ASR_pacman,-,"[Co][Co].[O-]C(=O)c1cc(cc(c1)c1cccnc1)C(=O)[O-] MOFid-v1.rtl,sql.cat0;d0cc04543h2_3_ASR_pacman","[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;d0cc04543h2_3_ASR_pacman",4.41275,2.67575,4.41275,1.20818,0,0,0,170.767,1034.93,856.602,852.743,0.5168,0.427752,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,11.54354519,0.859394839,0.027485394,0.978664872,0.041764123,1.027951788,0.055700971,0.001685569,0.365387843,104,SI,10.1039/D0CC04543H,2021,2021/8/26,RSC,All Solvent Removed,TRUE,302.8,0.8536194,0.83,weak,
706,2021[Mn][dia]3[ASR]1,d0cc05715k2_1_ASR_pacman,-,"[Mn].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)c1nc2c([nH]1)c1cccnc1c1c2cccn1 MOFid-v1.unknown,dia.cat1;d0cc05715k2_1_ASR_pacman","[C2Mn1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][C][=N][Ring1][=Branch1] MOFid-v2.UNKNOWN,dia.cat1;d0cc05715k2_1_ASR_pacman",10.29679,5.47834,10.29679,0.736026,1705.06,2132.98,2897.97,0,0,0,5298.28,0.6628,0.900511,0,0,0,3,dia,unnamed,dia,unnamed,6,3,F 2 2 -1d,70,Mn,No,N/A,PACMAN-DDEC6,9.324040474,0.923297005,0.038324336,1.029022736,0.073695542,1.096209207,0.083732986,0.001729122,0.410983618,380,SI,10.1039/D0CC05715K,2021,2021/9/2,RSC,All Solvent Removed,TRUE,367.5,0.62694865,0.78,weak,
707,2021[Zn][zst]3[ASR]1,d0cc05715k2_2_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1ccc(cc1)c1nc2c([nH]1)c1cccnc1c1c2cccn1.[O-]C=O.[Zn] MOFid-v1.zst,dia.cat1;d0cc05715k2_2_ASR_pacman","[C1O2Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][C][=N][Ring1][=Branch1].[O-1][C][=O] MOFid-v2.zst,dia.cat1;d0cc05715k2_2_ASR_pacman",10.77433,10.34801,10.77433,0.994822,859.422,1223.94,1230.31,0,0,0,4175.14,0.5946,0.597695,0,0,0,3,zst,unnamed,zst,unnamed,2,3,P 2c -2n,33,Zn,Yes,Zn,PACMAN-DDEC6,10.11192962,0.900985613,0.030625153,1.001433433,0.060762759,1.060067561,0.074816056,0.001590819,0.430708716,416,SI,10.1039/D0CC05715K,2021,2021/9/2,RSC,All Solvent Removed,TRUE,326.5,0.7393148,0.82209167,weak,
708,2021[Gd][sql]2[ASR]1,d0cc06019d2_ASR_pacman,-,O[Gd].[Gd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1[CH]C=C(C=C1)c1ccncc1.[O][CH][O] MOFid-v1.sql.cat0;d0cc06019d2_ASR_pacman,unknown,5.14789,3.61962,5.03701,1.43296,403.179,928.792,648.164,0,0,0,2071.47,0.4772,0.333017,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Gd,Yes,Gd,PACMAN-DDEC6,12.08363432,0.779033746,0.026027171,0.865925042,0.051546561,0.911243097,0.058573002,0.001322094,0.389334566,310,SI,10.1039/D0CC06019D,2021,2021/10/19,RSC,All Solvent Removed,FALSE,361.8,0.77948934,0.76962963,none,
709,2022[Zr][she]3[ASR]1,d0cc07974j2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1c2cccc3c2c2c(c1c1ccc(cc1)C(=O)[O-])cccc2c(c3c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.she.cat0;d0cc07974j2_2_ASR_pacman,[C6O20Zr6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Branch2][Ring1][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][S][C][=Branch2][Ring1][Ring2][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.she.cat0;d0cc07974j2_2_ASR_pacman,28.48606,16.86175,28.48606,0.533204,6149.93,1457.76,2733.97,0,0,0,34635.9,0.821,1.53975,8.43749,0.0002,0.000375091,3,she,unnamed,she,unnamed,1,3,-P 4 2 3,221,Zr,Yes,Zr,PACMAN-DDEC6,13.54640176,0.731738278,0.028279884,0.812075034,0.045244522,0.870280236,0.050855915,0.00138542,0.319800999,1000,SI,10.1039/D0CC07974J,2022,2022/2/22,RSC,All Solvent Removed,FALSE,438.4,0.9318273,0.91,none,
710,2021[Co][pcu]3[ASR]1,d0ce00175a2_1_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)c1ccc(cn1)C(=O)[O-].n1ccc(cc1)c1ccc(cc1)c1ccncc1 MOFid-v1.pcu.cat0;d0ce00175a2_1_ASR_pacman,[C4Co2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat0;d0ce00175a2_1_ASR_pacman,5.13193,3.35545,5.13193,1.21954,181.986,627.58,514.604,0,0,0,1331.01,0.459,0.376371,0,0,0,3,pcu,unnamed,pcu,unnamed,3,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.507358125,0.933780625,0.0388731,1.041323045,0.077119645,1.091293239,0.087446809,0.001575126,0.470838155,224,SI,10.1039/D0CE00175A,2021,2021/2/27,RSC,All Solvent Removed,TRUE,379.4,0.6463052,0.952622378,weak,
711,2021[Cu][pcu]3[ASR]1,d0ce00262c2_1_ASR_pacman,-,O=C(N1CCCC1C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;d0ce00262c2_1_ASR_pacman,[C4Cu2O8_Type-2].[O][=C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;d0ce00262c2_1_ASR_pacman,5.84761,4.82798,5.81319,1.15333,303.934,1097.26,951.383,0,0,0,1410.45,0.5092,0.441504,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,P 2 2ab,18,Cu,Yes,Cu,PACMAN-DDEC6,9.430589412,0.948557348,0.038808282,1.049893388,0.072681947,1.108140258,0.08216803,0.001595829,0.476990146,204,SI,10.1039/D0CE00262C,2021,2021/4/3,RSC,All Solvent Removed,FALSE,222.6,0.5329976,0.834282801,strong,
712,2021[Cu][pcu]3[ASR]2,d0ce00262c2_2_ASR_pacman,-,O=C(N1CCCC1C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;d0ce00262c2_2_ASR_pacman,[C4Cu2O8_Type-2].[O][=C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;d0ce00262c2_2_ASR_pacman,5.84961,4.82366,5.84961,1.14995,307.169,1105.69,961.507,0,0,0,1391.26,0.5008,0.435496,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,P 2 2ab,18,Cu,Yes,Cu,PACMAN-DDEC6,9.430589412,0.947946558,0.038757748,1.050930523,0.072671441,1.107752057,0.081895742,0.001598055,0.476223801,204,SI,10.1039/D0CE00262C,2021,2021/4/3,RSC,All Solvent Removed,FALSE,220.6,0.5250523,0.834282801,strong,
713,2021[Cd][pcu]3[ASR]1,d0ce00405g2_2_ASR_pacman,-,OC(=O)c1ccc(cc1)CNc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cd].n1ccc(cc1)c1ccncc1 MOFid-v1.ERROR.cat0;d0ce00405g2_2_ASR_pacman,[C4Cd2O8_Type-1].[O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;d0ce00405g2_2_ASR_pacman,5.13307,2.56257,5.07988,1.18926,0,0,0,260.502,801.597,674.032,1715.89,0.528,0.443975,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,10.57921018,0.869398264,0.031582743,0.971057103,0.064228307,1.020784038,0.078028982,0.001513858,0.423896256,220,SI,10.1039/D0CE00405G,2021,2021/4/24,RSC,All Solvent Removed,TRUE,297.2,0.8019577,0.723008812,strong,
714,0000[Tb][nan]3[ASR]1,d0ce00430h2_ASR_pacman,-,[O-]C(=O)c1c(F)c(F)c(c(c1F)F)C(=O)[O-].[Tb][Tb] MOFid-v1.pcu.cat0;d0ce00430h2_ASR_pacman,unknown,3.53975,2.89855,3.53975,1.95241,0,0,0,3.97757,16.8652,8.63813,799.514,0.339,0.173631,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Tb,No,N/A,PACMAN-DDEC6,14.74991254,0.710128917,0.012852839,0.796233638,0.028604578,0.853843884,0.031456633,0.00143715,0.283733093,188,SI,10.1039/D0CE00430H,unknown,unknown,RSC,All Solvent Removed,FALSE,349.3,0.86062205,0.73,none,
715,2021[Co][ant]3[ASR]1,d0ce00475h2_1_ASR_pacman,-,Nc1cnccc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co][OH]([Co])[Co] MOFid-v1.ant.cat0;d0ce00475h2_1_ASR_pacman,unknown,4.48042,2.99612,4.46116,1.30423,0,0,0,341.566,892.751,684.506,1887.75,0.4934,0.378309,0,0,0,3,ant,unnamed,ant,unnamed,1,3,P 4w,76,Co,Yes,Co,PACMAN-DDEC6,11.92462865,0.865207807,0.021956675,0.96763907,0.039561369,1.024651351,0.050757146,0.001594435,0.394447004,252,SI,10.1039/D0CE00475H,2021,2021/4/13,RSC,All Solvent Removed,FALSE,255.7,0.8302204,0.710905172,unknown,
716,2021[Co][nan]3[ASR]3,d0ce00475h2_2_ASR_pacman,-,Nc1cnccc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co][O]([Co])[Co].[O-]C=O MOFid-v1.ERROR.cat0;d0ce00475h2_2_ASR_pacman,[C2Co3O5_Type-1].[N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=O] MOFid-v2.ERROR.cat0;d0ce00475h2_2_ASR_pacman,8.42238,8.03127,8.41833,1.07268,966.948,1782.42,1661.66,0,0,0,3388.4,0.6246,0.582281,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 61,169,Co,Yes,Co,PACMAN-DDEC6,13.58290523,0.828584799,0.024787119,0.897288993,0.031769218,0.958018554,0.044550041,0.001294338,0.44161264,258,SI,10.1039/D0CE00475H,2021,2021/4/13,RSC,All Solvent Removed,FALSE,286.9,0.36695465,0.495052632,strong,
717,2021[Cd][nan]3[ASR]2,d0ce00476f2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(C)(C)C)C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.ERROR.cat0;d0ce00476f2_2_ASR_pacman,unknown,7.76829,2.84838,7.76829,1.15762,0,0,0,494.383,1062.05,917.442,2517.42,0.5408,0.467166,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Cd,No,N/A,PACMAN-DDEC6,10.20473585,0.870854484,0.040131773,0.954037564,0.07897893,1.00796022,0.083455288,0.001371057,0.464414011,318,SI,10.1039/D0CE00476F,2021,2021/5/14,RSC,All Solvent Removed,TRUE,374.4,0.89979964,0.713934343,strong,
718,2021[Zn][hcb]2[ASR]1,d0ce00490a2_1_ASR_pacman,-,[O]C1=C[CH]N(C=C1)Cc1c2ccccc2c(c2c1cccc2)Cn1ccc(=O)cc1.[O]S(c1cccc2c1cccc2S([O])([O])[O])([O])[O].[Zn] MOFid-v1.hcb.cat0;d0ce00490a2_1_ASR_pacman,[Zn1_Type-1].[OH0][C][=C][CH1][N][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1].[OH0][S][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][OH0][Branch1][C][OH0][OH0][Branch1][C][OH0][OH0] MOFid-v2.hcb.cat0;d0ce00490a2_1_ASR_pacman,5.6268,3.58472,5.6268,1.22503,177.281,878.782,717.355,0,0,0,981.643,0.4866,0.397214,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,9.921469867,0.911637234,0.03362191,1.022088731,0.070285251,1.074088018,0.083601382,0.001624508,0.434026919,150,SI,10.1039/D0CE00490A,2021,2021/6/22,RSC,All Solvent Removed,FALSE,333.7,0.7963492,0.48,none,
719,2021[Cd][hcb]2[ASR]1,d0ce00490a2_6_ASR_pacman,-,[Cd].[O]C1=C[CH]N(C=C1)Cc1c2ccccc2c(c2c1cccc2)Cn1ccc(=O)cc1.[O]S(c1cccc2c1cccc2S([O])([O])[O])([O])[O] MOFid-v1.unknown.cat0;d0ce00490a2_6_ASR_pacman,[Cd1_Type-1].[OH0][C][=C][CH1][N][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1].[OH0][S][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][OH0][Branch1][C][OH0][OH0][Branch1][C][OH0][OH0] MOFid-v2.UNKNOWN.cat0;d0ce00490a2_6_ASR_pacman,7.21275,3.56763,7.21275,1.27175,197.979,958.252,753.493,0,0,0,1000.38,0.4842,0.380736,0,0,0,2,hcb,unnamed,hcb,unnamed,1,2,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,10.54854987,0.855309461,0.032614143,0.949066866,0.064981103,1.010241733,0.07802507,0.001549323,0.395943071,150,SI,10.1039/D0CE00490A,2021,2021/6/22,RSC,All Solvent Removed,TRUE,332.2,0.77593076,0.58,none,
720,2021[Cd][sql]2[ASR]1,d0ce00513d2_3_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat1;d0ce00513d2_3_ASR_pacman,unknown,4.01416,2.8117,4.01278,1.44416,0,0,0,158.912,378.241,261.91,1938.51,0.4614,0.319494,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,11.71105846,0.795167352,0.029661587,0.896151855,0.057375079,0.93723621,0.067616246,0.001420689,0.378944137,312,SI,10.1039/D0CE00513D,2021,2021/5/5,RSC,All Solvent Removed,FALSE,340.4,0.4226147,0.54125,weak,
721,2021[ZnSi][kgd]2[ASR]1,d0ce00629g2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)[Si](c1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C(=O)[O-])O.[Zn][OH]1[Zn][OH]([Zn]1)[Zn] MOFid-v1.unknown.cat0;d0ce00629g2_1_ASR_pacman,[C6H2O14Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Si][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O] MOFid-v2.UNKNOWN.cat0;d0ce00629g2_1_ASR_pacman,7.95864,5.64514,7.91425,0.85351,479.894,2229.42,2612.06,0,0,0,1448.67,0.673,0.788509,0,0,0,2,kgd,unnamed,kgd,unnamed,1,2,-P 1,2,"Zn,Si",Yes,Zn,PACMAN-DDEC6,12.02557739,0.825376467,0.026254748,0.918840879,0.047931045,0.967818311,0.063879402,0.001424418,0.405465432,92,SI,10.1039/D0CE00629G,2021,2021/5/12,RSC,All Solvent Removed,FALSE,292.5,0.89284086,0.75,superstrong_high_loading,
722,2021[SiMn][kgd]2[ASR]1,d0ce00629g2_2_ASR_pacman,-,[Mn].[O-]C(=O)c1ccc(cc1)[Si](c1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C(=O)[O-])O MOFid-v1.kgd.cat0;d0ce00629g2_2_ASR_pacman,[C6Mn3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Si][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O] MOFid-v2.kgd.cat0;d0ce00629g2_2_ASR_pacman,6.32579,3.74393,6.32408,0.994731,1080.52,1658.58,1667.37,0,0,0,3828.03,0.5876,0.590712,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,"Si,Mn",Yes,Mn,PACMAN-DDEC6,11.21416753,0.887619054,0.028372292,1.001671437,0.043033721,1.058025147,0.05998657,0.001704061,0.386017222,348,SI,10.1039/D0CE00629G,2021,2021/5/12,RSC,All Solvent Removed,FALSE,356.7,0.93419886,0.68,superstrong_high_loading,
723,2021[Zn][bcg]3[ASR]1,d0ce00725k2_2_ASR_pacman,-,O=C1N(Cc2cccnc2)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)Cc1cccnc1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.bcg.cat0;d0ce00725k2_2_ASR_pacman,[C6O12Zn3_Type-1].[O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Ring1][=C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.bcg.cat0;d0ce00725k2_2_ASR_pacman,5.97175,2.83006,4.80777,1.11663,0,0,0,849.38,1255.91,1124.73,3798.15,0.5616,0.502943,0,0,0,3,bcg,unnamed,bcg,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,11.25657941,0.858074138,0.024923351,0.986584735,0.036688929,1.035924411,0.051346259,0.001778503,0.33771847,404,SI,10.1039/D0CE00725K,2021,2021/7/7,RSC,All Solvent Removed,FALSE,388.2,0.9478144,0.695420117,weak,
724,2021[Zn][nan]3[ASR]3,d0ce00798f2_1_ASR_pacman,-,O=C(C1=CN=N[CH]1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].O=C(C1=C[N]N=C1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].O=C([C]1C=NN=C1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.apo.cat0;d0ce00798f2_1_ASR_pacman,[C10H4N4O8Zn2_Type-1].[O][=C][Branch1][Branch2][C][=C][N][=N][CH1][Ring1][Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O][=C][Branch1][Branch2][C][=C][NH0][N][=C][Ring1][Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O][=C][Branch1][Branch2][CH0][C][=N][N][=C][Ring1][Branch1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.apo.cat0;d0ce00798f2_1_ASR_pacman,8.37161,7.49472,8.37161,0.750209,1425.33,2384.38,3178.29,0,0,0,4293.26,0.7182,0.957333,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2n 2ab,60,Zn,No,N/A,PACMAN-DDEC6,12.50270889,0.834000511,0.018165055,0.930308019,0.038284876,0.989731704,0.046672517,0.001557312,0.372954237,216,SI,10.1039/D0CE00798F,2021,2021/7/17,RSC,All Solvent Removed,TRUE,376.1,0.25813758,0.618571429,strong,
725,2021[Cd][pts]3[ASR]1,d0ce00814a2_1_ASR_pacman,-,unknown,unknown,4.66145,3.66917,4.45167,1.19721,393.265,1462.27,1221.4,0,0,0,1508.77,0.561,0.468591,0,0,0,3,pts,unnamed,unstable,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,11.82304098,0.779674343,0.027153756,0.876143816,0.049637407,0.929533214,0.062608207,0.001498589,0.337277745,164,SI,10.1039/D0CE00814A,2021,2021/8/26,RSC,All Solvent Removed,FALSE,408.7,0.7104785,0.7825,strong,
726,2021[Zn][sqc]3[ASR]1,d0ce00814a2_2_ASR_pacman,-,unknown,unknown,10.21223,6.45473,10.21223,1.02219,526.542,1234.13,1207.33,0,0,0,2505.3,0.5872,0.57445,0,0,0,3,sqc5577,unnamed,unnamed,unnamed,1,3,-R 3,148,Zn,Yes,Zn,PACMAN-DDEC6,10.67594341,0.869263485,0.031086535,0.972389628,0.053432048,1.030134821,0.072944177,0.001608713,0.39421297,246,SI,10.1039/D0CE00814A,2021,2021/8/26,RSC,All Solvent Removed,TRUE,348.7,0.8909954,0.82,unknown,
727,2021[Cu][sql]2[ASR]4,d0ce00969e2_ASR_pacman,-,NC(=S)c1ccncc1.[Cu]I MOFid-v1.ERROR.cat1;d0ce00969e2_ASR_pacman,[Cu2I2S2_Type-1].[N][C][=Branch1][C][=S][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat1;d0ce00969e2_ASR_pacman,5.17339,4.44401,5.17339,1.73659,141.797,1128.06,649.579,0,0,0,664.201,0.5284,0.304274,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,19.33180647,0.537653877,0.019982248,0.598582719,0.032724864,0.62368066,0.041076439,0.000860268,0.285545348,68,SI,10.1039/D0CE00969E,2021,2021/7/15,RSC,All Solvent Removed,FALSE,238.7,0.8114997,0.22,none,
728,2021[Co][dia]3[ASR]1,d0ce00979b2_2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc2c(c1)[nH]cn2 MOFid-v1.dia.cat0;d0ce00979b2_2_ASR_pacman,[C2Co1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=N][Ring1][=Branch1] MOFid-v2.dia.cat0;d0ce00979b2_2_ASR_pacman,4.6055,4.07898,4.59046,1.31584,145.272,754.931,573.727,0,0,0,885.952,0.4604,0.349892,0,0,0,3,dia,unnamed,dia,unnamed,3,3,P 2c -2n,33,Co,No,N/A,PACMAN-DDEC6,10.89166271,0.888658176,0.026031813,0.991984071,0.058510533,1.047383622,0.068342587,0.001587254,0.420469558,140,SI,10.1039/D0CE00979B,2021,2021/7/20,RSC,All Solvent Removed,TRUE,326.3,0.79073054,0.68,weak,
729,2021[Cu][sql]2[ASR]5,d0ce00985g2_1_ASR_pacman,-,[Cu][OH]1[Cu][OH]([Cu]1)[Cu].[O-]C(=O)c1ccccc1C(=O)[O-] MOFid-v1.sql.cat0;d0ce00985g2_1_ASR_pacman,unknown,4.92491,3.90947,4.91213,1.1346,567.944,1563.26,1377.81,0.0189376,0.0521257,0.045942,1948.05,0.5362,0.472591,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,10.34303567,0.865204705,0.039607156,0.958711,0.073133931,0.99758589,0.082000891,0.001323812,0.477166388,240,SI,10.1039/D0CE00985G,2021,2021/7/13,RSC,All Solvent Removed,FALSE,246.9,0.39674503,0.7625,superstrong_high_loading,
730,2021[Zn][fit]3[ASR]1,d0ce01004a2_2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-])Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn][OH]1[Zn][OH2][Zn][OH]([Zn][OH2][Zn]1)[Zn] MOFid-v1.kgd,ERROR.cat0;d0ce01004a2_2_ASR_pacman","[C10H6O24Zn6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd,ERROR.cat0;d0ce01004a2_2_ASR_pacman",6.01545,4.52404,6.01545,1.24334,351.722,1858.52,1494.78,0,0,0,1102.94,0.5828,0.468739,0,0,0,3,fit,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,13.62448038,0.788313218,0.016977909,0.890033861,0.027049675,0.941337926,0.038631787,0.001530247,0.337641857,104,SI,10.1039/D0CE01004A,2021,2021/9/7,RSC,All Solvent Removed,FALSE,367.8,0.33899552,0.7492,strong,
731,2021[Cu][nan]3[ASR]1,d0ce01014f2_1_ASR_pacman,-,[Cu].[Cu][Cu].[O-]C(=O)c1cc(ccc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;d0ce01014f2_1_ASR_pacman,[C2Cu1O4_Type-1].[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0ce01014f2_1_ASR_pacman,8.61757,7.37936,8.61757,0.912308,818.547,2480.18,2718.57,0,0,0,2274.61,0.6892,0.755446,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2y,12,Cu,Yes,Cu,PACMAN-DDEC6,14.16581375,0.776958173,0.012766741,0.860454431,0.023648724,0.920343057,0.033328428,0.001433849,0.350738123,128,SI,10.1039/D0CE01014F,2021,2021/7/28,RSC,All Solvent Removed,FALSE,241.1,0.7716259,0.535,weak,
732,2021[Mn][nan]2[ASR]1,d0ce01054e2_1_ASR_pacman,-,unknown,[Mn1_Type-1].[O][=C][N][N][=C][Branch1][Ring2][CH1][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.cpv.cat0;d0ce01054e2_1_ASR_pacman,4.648,4.08757,4.63832,1.50368,60.4942,756.589,503.159,0,0,0,371.318,0.4644,0.308842,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Mn,Yes,Mn,PACMAN-DDEC6,15.08402708,0.788978816,0.010727652,0.859943323,0.023826829,0.922314706,0.025314989,0.001333359,0.390403335,48,SI,10.1039/D0CE01054E,2021,2021/9/15,RSC,All Solvent Removed,FALSE,346.7,0.7338447,0.55,none,
733,2021[Cd][flu]3[ASR]1,d0ce01061h2_ASR_pacman,-,"O=C(c1cc(cc(c1)C(=O)[O-])C(=O)[O-])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cd] MOFid-v1.ERROR,kgd.cat0;d0ce01061h2_ASR_pacman","[C8Cd3O16_Type-1].[O][=C][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR,kgd.cat0;d0ce01061h2_ASR_pacman",4.53525,3.60165,4.53095,1.547,123.707,1071.37,692.547,0,0,0,594.883,0.5152,0.333032,0,0,0,3,flu,unnamed,flt,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,15.15085296,0.716541929,0.011131479,0.793905547,0.028861714,0.848665601,0.031031997,0.001321237,0.32393817,71,SI,10.1039/D0CE01061H,2021,2021/8/10,RSC,All Solvent Removed,TRUE,358.4,0.7149591,0.732,weak,
734,2021[Cd][tfz]3[ASR]4,d0ce01139h2_ASR_pacman,-,O=C(c1ccc(cc1)C=Cc1ccc(cc1)C(=O)Nc1cccnc1)Nc1cccnc1.[Cd].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.tfz-d.cat0;d0ce01139h2_ASR_pacman,[C6Cd3O12_Type-1].[O][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.tfz-d.cat0;d0ce01139h2_ASR_pacman,5.97916,3.85246,5.97916,1.07512,353.252,1518.33,1412.23,0,0,0,1371.29,0.5894,0.548216,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.15808711,0.808472162,0.032681955,0.899626871,0.061349062,0.961053202,0.075124548,0.00152581,0.355683773,135,SI,10.1039/D0CE01139H,2021,2021/9/10,RSC,All Solvent Removed,FALSE,303.3,0.63127536,0.95,weak,
735,2021[Co][sql]2[ASR]1,d0ce01172j2_4_ASR_pacman,-,O=C(c1ccc(cc1)C(=O)[O-])NC1CCCCC1NC(=O)c1ccc(cc1)C(=O)[O-].[Co].n1ccc(cc1)c1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat1;d0ce01172j2_4_ASR_pacman,unknown,5.8476,3.94159,5.8476,1.17146,302.756,763.21,651.502,0.820056,2.06726,1.76468,1855.71,0.4678,0.39933,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 1,1,Co,No,N/A,PACMAN-DDEC6,8.63724784,1.006666158,0.048814114,1.118023714,0.08641955,1.177441848,0.095224036,0.001707757,0.502995659,324,SI,10.1039/D0CE01172J,2021,2021/9/16,RSC,All Solvent Removed,TRUE,317.9,0.23464519,0.72,superstrong_high_loading,
736,2021[Co][flu]3[ASR]1,d0ce01201g2_1_ASR_pacman,-,"OC(=O)c1cc(cc(c1)c1cc(ccc1C(=O)[O-])C(=O)[O-])c1cc(ccc1C(=O)[O-])C(=O)[O-].[Co][OH]1[Co][OH]([Co]1)[Co] MOFid-v1.kgd,unknown.cat0;d0ce01201g2_1_ASR_pacman","[C10Co4H4O22_Type-1].[O][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd,UNKNOWN.cat0;d0ce01201g2_1_ASR_pacman",4.67821,3.63338,4.67389,1.3602,265.478,935.407,687.696,0,0,0,1359.45,0.479,0.352153,0,0,0,3,flu,unnamed,unnamed,unnamed,1,2,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,12.3658134,0.851938263,0.019557811,0.964193255,0.033762593,1.015380364,0.044652336,0.001634421,0.371789941,188,SI,10.1039/D0CE01201G,2021,2021/9/24,RSC,All Solvent Removed,FALSE,320.7,0.5557194,0.593076923,superstrong_high_loading,
737,2021[Mn][sql]2[ASR]1,d0ce01383h2_1_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)Oc1cccc(c1)C(=O)[O-])Oc1cccc(c1)C(=O)[O-].[OH2][Mn][OH2][Mn][OH2][Mn][OH2] MOFid-v1.sql.cat0;d0ce01383h2_1_ASR_pacman,[C6H8Mn3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d0ce01383h2_1_ASR_pacman,5.87641,4.92231,5.86383,0.991129,526.549,1541.36,1555.16,0,0,0,1988.19,0.582,0.587209,0,0,0,2,sql,unnamed,sql,unnamed,1,2,-C 2yc,15,Mn,Yes,Mn,PACMAN-DDEC6,10.73147089,0.906874494,0.031586774,1.01456098,0.057415979,1.070091504,0.076724913,0.00163217,0.425916126,190,SI,10.1039/D0CE01383H,2021,2021/10/23,RSC,All Solvent Removed,FALSE,399.6,0.9023304,0.86,strong,
738,2021[Cu][sql]2[ASR]6,d0ce01395a2_ASR_pacman,-,[Cu].n1ccc(cc1)c1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat1;d0ce01395a2_ASR_pacman,[Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d0ce01395a2_ASR_pacman,12.01799,7.90551,12.01522,0.358334,2284.06,2333.21,6511.28,0,0,0,8166.24,0.8342,2.328,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,8.657471475,0.918600632,0.071161708,1.003983028,0.129274358,1.040889167,0.131976481,0.001222885,0.559814405,244,SI,10.1039/D0CE01395A,2021,2021/11/25,RSC,All Solvent Removed,FALSE,409,0.1436382,0.646666667,weak,
739,2021[Zn][nan]3[ASR]4,d0ce01483d2_ASR_pacman,-,O[Zn][O]([Zn])[Zn].[O-]C(=O)c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3[O])C(=O)[O-] MOFid-v1.unknown.cat0;d0ce01483d2_ASR_pacman,[C4H1O10Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][=Branch1][C][=C][Ring1][O][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0ce01483d2_ASR_pacman,10.05358,7.79549,10.05095,0.813435,1678.1,2379.45,2925.19,0,0,0,5114.43,0.7252,0.891528,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ac 2n,62,Zn,No,N/A,PACMAN-DDEC6,14.39412233,0.770454186,0.014513703,0.855308701,0.026077345,0.915122118,0.033518526,0.001446679,0.340623911,240,SI,10.1039/D0CE01483D,2021,2021/11/24,RSC,All Solvent Removed,TRUE,340.7,0.527098,0.55,none,
740,2021[Cd][nan]2[ASR]1,d0ce01575j2_1_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(C)(C)C)C(=O)[O-].n1cc(cc(c1)n1cnc2c1cccc2)n1cnc2c1cccc2 MOFid-v1.sql.cat1;d0ce01575j2_1_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1].[N][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d0ce01575j2_1_ASR_pacman,4.32418,2.47686,4.31268,1.39413,0,0,0,59.9424,195.369,140.136,1315.63,0.4288,0.307575,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,9.757156061,0.892195587,0.04160296,0.981440066,0.082781905,1.046877509,0.093083499,0.001546819,0.432117664,264,SI,10.1039/D0CE01575J,2021,2021/11/19,RSC,All Solvent Removed,FALSE,342.6,0.8793996,0.54,strong,
741,2021[Sc][nan]3[ASR]1,d0ce01593h2_4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C=O.[Sc][O]([Sc])[Sc] MOFid-v1.unknown.cat0;d0ce01593h2_4_ASR_pacman,[C6O13Sc3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=O] MOFid-v2.UNKNOWN.cat0;d0ce01593h2_4_ASR_pacman,20.34171,19.92491,20.34171,0.714532,1624.29,1092.05,1528.34,29.733,19.9901,27.9765,10343.3,0.6954,0.973224,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P -6c -2c,190,Sc,Yes,Sc,PACMAN-DDEC6,10.25666708,0.936216273,0.030278669,1.053969638,0.048650714,1.112817525,0.066274352,0.001766013,0.4162301,624,SI,10.1039/D0CE01593H,2021,2021/12/8,RSC,All Solvent Removed,FALSE,487.5,0.89362365,0.47,unknown,
742,2021[Zn][tfz]3[ASR]1,d0ce01741h2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.ERROR.cat0;d0ce01741h2_ASR_pacman,unknown,6.90883,3.90614,6.90883,1.2956,316.541,730.442,563.788,0,0,0,2073.17,0.4784,0.369251,0,0,0,3,tfz-d,unnamed,tfz-d,unnamed,2,3,"P 31 2""",152,Zn,No,N/A,PACMAN-DDEC6,10.53277907,0.869470958,0.033729701,0.977704996,0.06313685,1.033241464,0.077918492,0.001637705,0.386942368,321,SI,10.1039/D0CE01741H,2021,2021/12/21,RSC,All Solvent Removed,FALSE,356.3,0.6367506,0.688571429,strong,
743,2021[Zn][fsc]3[ASR]1,d0dt00122h2_1_ASR_pacman,-,"[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2Cc1ccc(cc1)Cn1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown,ERROR.cat0;d0dt00122h2_1_ASR_pacman","[C4O8Zn2_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN,ERROR.cat0;d0dt00122h2_1_ASR_pacman",4.50717,2.85634,4.50658,1.28747,0,0,0,67.0468,494.272,383.91,606.887,0.4474,0.347504,0,0,0,3,fsc,unnamed,sqc27,unnamed,2,2,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,9.737781852,0.913964677,0.037728322,1.017885133,0.072295063,1.075042087,0.082324322,0.001610774,0.438526361,108,SI,10.1039/D0DT00122H,2021,2021/5/19,RSC,All Solvent Removed,FALSE,341.9,0.2371059,0.67,weak,
744,2021[Zn][fsc]3[ASR]2,d0dt00122h2_2_ASR_pacman,-,"[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2Cc1ccc(cc1)Cn1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.fsc,ERROR.cat0;d0dt00122h2_2_ASR_pacman","[C4O8Zn2_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.fsc,ERROR.cat0;d0dt00122h2_2_ASR_pacman",6.06834,2.89795,6.06834,1.19759,0,0,0,116.941,764.083,638.015,722.386,0.472,0.394124,0,0,0,3,fsc,unnamed,sqc27,unnamed,2,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,9.51512931,0.925613171,0.040258235,1.027374303,0.076400323,1.083861709,0.085547442,0.001582485,0.458413179,116,SI,10.1039/D0DT00122H,2021,2021/5/19,RSC,All Solvent Removed,FALSE,348.7,0.32424647,0.66,weak,
745,2021[Cu][nan]3[ASR]2,d0dt00402b2_ASR_pacman,-,Nc1cncc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][O]([Cu])([Cu])[Cu] MOFid-v1.unknown.cat0;d0dt00402b2_ASR_pacman,[C6Cu4O13_Type-1].[N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0dt00402b2_ASR_pacman,8.75331,4.94575,8.74166,1.26535,797.795,1463,1156.21,4.47618,8.20845,6.48712,2896.7,0.5312,0.419806,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Cu,Yes,Cu,PACMAN-DDEC6,12.07935186,0.821563191,0.022088577,0.921421552,0.037071536,0.985000155,0.050122725,0.00163437,0.337298923,344,SI,10.1039/D0DT00402B,2021,2021/2/24,RSC,All Solvent Removed,FALSE,272.9,0.7203518,0.688,weak,
746,2021[Cd][pcu]3[ASR]2,d0dt00793e2_1_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)c1nnc(nn1)c1ccncc1 MOFid-v1.ERROR.cat0;d0dt00793e2_1_ASR_pacman,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;d0dt00793e2_1_ASR_pacman,8.038,6.46124,8.03265,0.756721,1003.53,2229.65,2946.47,0,0,0,3226.19,0.7168,0.947245,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2 2ab,55,Cd,No,N/A,PACMAN-DDEC6,11.92460651,0.799950061,0.02640403,0.897181378,0.049081087,0.956550077,0.063214091,0.001566,0.336460449,172,SI,10.1039/D0DT00793E,2021,2021/3/30,RSC,All Solvent Removed,TRUE,322.4,0.66692054,0.4905,weak,
747,2021[Cd][pcu]3[ASR]3,d0dt00793e2_2_ASR_pacman,-,unknown,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;d0dt00793e2_2_ASR_pacman,5.5074,2.76255,5.43762,1.44002,0,0,0,267.403,565.297,392.562,2181.62,0.4612,0.320274,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2a 2ac,54,Cd,No,N/A,PACMAN-DDEC6,11.92460651,0.802835747,0.02499641,0.899340693,0.048960813,0.950305067,0.059556665,0.001474693,0.368017881,344,SI,10.1039/D0DT00793E,2021,2021/3/30,RSC,All Solvent Removed,TRUE,413.6,0.8368137,0.620314685,weak,
748,2021[Cd][kag]3[ASR]1,d0dt00793e2_3_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)c1nnc(nn1)c1ccncc1 MOFid-v1.ERROR.cat0;d0dt00793e2_3_ASR_pacman,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;d0dt00793e2_3_ASR_pacman,18.07452,14.42961,18.07452,0.580835,1596.32,1814.91,3124.66,0,0,0,6853.54,0.7792,1.34152,0,0,0,3,kag,unnamed,kag,unnamed,1,3,-P 6,175,Cd,No,N/A,PACMAN-DDEC6,11.92460651,0.814901911,0.029667165,0.904006404,0.04823623,0.973001757,0.064800177,0.001580998,0.343953899,258,SI,10.1039/D0DT00793E,2021,2021/3/30,RSC,All Solvent Removed,TRUE,322.6,0.85169697,0.4305,weak,
749,2021[Zn][nan]3[ASR]5,d0dt00933d2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)n1nc(c(n1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn].[Zn]O[Zn].[Zn][O]([Zn])[Zn] MOFid-v1.tty.cat1;d0dt00933d2_1_ASR_pacman,[C2O4Zn1_Type-1].[C8O18Zn5_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.tty.cat1;d0dt00933d2_1_ASR_pacman,7.03598,4.41271,5.58294,1.23569,735.565,623.377,504.476,338.709,287.049,232.298,6284.51,0.5326,0.431014,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.86535308,0.82613149,0.022997873,0.931263755,0.046523935,0.97891361,0.057998777,0.001527821,0.377365535,740,SI,10.1039/D0DT00933D,2021,2021/4/8,RSC,All Solvent Removed,FALSE,317.7,0.81166637,0.39,unknown,
750,2021[Zn][sql]2[ASR]2,d0dt00933d2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1nn(nc1c1ccc(cc1)C(=O)[O-])c1ccccc1.[Zn][Zn] MOFid-v1.sql.cat0;d0dt00933d2_2_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][Ring2][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;d0dt00933d2_2_ASR_pacman,5.85166,4.7117,5.85166,1.17555,229.423,904.817,769.7,0,0,0,1286.05,0.5072,0.431459,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2bc 2,64,Zn,Yes,Zn,PACMAN-DDEC6,10.43572837,0.875550145,0.033574776,0.99062597,0.066875533,1.036334975,0.076833818,0.001607848,0.404756789,172,SI,10.1039/D0DT00933D,2021,2021/4/8,RSC,All Solvent Removed,FALSE,412.6,0.9074473,0.71,strong,
751,2021[Co][svk]3[ASR]1,d0dt01105c2_2_ASR_pacman,-,"[Co].[O-]C(=O)c1ccncc1.[O]NC(=O)c1ccc(cc1)C(=O)N[O] MOFid-v1.svk,ERROR.cat0;d0dt01105c2_2_ASR_pacman","[C3Co2O6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[OH0][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][OH0] MOFid-v2.svk,ERROR.cat0;d0dt01105c2_2_ASR_pacman",6.17036,4.44152,6.17036,0.982385,800.187,2036.12,2072.63,0,0,0,2414.57,0.6144,0.625417,0,0,0,3,svk,unnamed,svk,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,11.39691941,0.867666236,0.028801431,0.974327328,0.044688275,1.034081753,0.061036948,0.001664155,0.376237463,204,SI,10.1039/D0DT01105C,2021,2021/6/1,RSC,All Solvent Removed,FALSE,322,0.91847724,0.323552632,weak,
752,2021[Zn][sql]2[ASR]3,d0dt01312a2_2_ASR_pacman,-,unknown,[C8H6O20Zn5_Type-1].[O][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d0dt01312a2_2_ASR_pacman,9.3401,6.44485,9.3041,0.832399,750.131,1870.41,2247.02,0,0,0,2614.05,0.6518,0.783038,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.75038995,0.882083559,0.028878855,0.994461509,0.057964658,1.043785447,0.07268561,0.001617019,0.407486897,187,SI,10.1039/D0DT01312A,2021,2021/5/20,RSC,All Solvent Removed,FALSE,381.3,0.43249202,0.74,strong,
753,2021[Mo][lvt]3[ASR]1,d0dt01420f2_ASR_pacman,-,O1[Mo]2[Mo]1O2.[O-]C(=O)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)C(=O)[O-])C=C3)c1ccc(cc1)C(=O)[O-])[nH]2)c1ccc(cc1)C(=O)[O-] MOFid-v1.lvt.cat0;d0dt01420f2_ASR_pacman,[C4Mo2O10_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch2][=Branch1][=Branch1][=C][C][=C][C][=Branch2][Branch1][O][=C][Branch2][Ring2][Branch2][C][=N][C][=Branch2][Ring1][=N][=C][Branch1][O][C][NH1][C][Ring2][Ring1][Ring1][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH1][Ring2][Ring2][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lvt.cat0;d0dt01420f2_ASR_pacman,6.98637,5.74587,6.98078,1.00653,1046.73,1569.49,1559.3,0,0,0,4040.22,0.6058,0.601869,0,0,0,3,lvt,unnamed,nox,unnamed,1,3,-P 2ac 2n,62,Mo,Yes,Mo,PACMAN-DDEC6,11.22956489,0.827193763,0.026688981,0.926792299,0.051605012,0.98318834,0.066327096,0.001559946,0.366410447,360,SI,10.1039/D0DT01420F,2021,2021/7/17,RSC,All Solvent Removed,FALSE,252,0.9122694,0.56,none,
754,2021[Pr][kgd]2[ASR]1,d0dt02120b2_1_ASR_pacman,-,[O-]C(=O)c1cc(ccc1C(=O)[O-])Oc1c(cccc1C(=O)[O-])C(=O)[O-].[Pr] MOFid-v1.kgd.cat0;d0dt02120b2_1_ASR_pacman,[C8O16Pr2_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;d0dt02120b2_1_ASR_pacman,5.93521,5.05929,5.9277,1.35222,326.538,1375.99,1017.58,0,0,0,1277.21,0.5382,0.398012,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,Pr,Yes,Pr,PACMAN-DDEC6,15.09753406,0.705548555,0.012626245,0.785878291,0.028616635,0.831751331,0.034733229,0.001262028,0.332683013,128,SI,10.1039/D0DT02120B,2021,2021/8/19,RSC,All Solvent Removed,FALSE,376.2,0.8956386,0.89962963,none,
755,2021[Eu][kgd]2[ASR]1,d0dt02120b2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(ccc1C(=O)[O-])Oc1c(cccc1C(=O)[O-])C(=O)[O-] MOFid-v1.kgd.cat0;d0dt02120b2_2_ASR_pacman,[C8Eu2O16_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;d0dt02120b2_2_ASR_pacman,6.02576,5.18239,6.02576,1.36232,341.37,1416.81,1040,0,0,0,1333.38,0.5534,0.406219,0,0,0,2,kgd,unnamed,kgd,unnamed,1,2,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,15.443045,0.690001706,0.012226293,0.771485205,0.027121283,0.816781378,0.033451081,0.001267797,0.315693913,128,SI,10.1039/D0DT02120B,2021,2021/8/19,RSC,All Solvent Removed,FALSE,393.9,0.8687581,0.84962963,none,
756,2021[Nd][kgd]2[ASR]1,d0dt02120b2_3_ASR_pacman,-,[Nd].[O-]C(=O)c1cc(ccc1C(=O)[O-])Oc1c(cccc1C(=O)[O-])C(=O)[O-] MOFid-v1.kgd.cat0;d0dt02120b2_3_ASR_pacman,[C8Nd2O16_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;d0dt02120b2_3_ASR_pacman,6.02071,5.15652,6.01267,1.32918,342.939,1410.75,1061.37,0,0,0,1331.16,0.5476,0.411982,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,Nd,Yes,Nd,PACMAN-DDEC6,15.2017325,0.702479522,0.012007701,0.784220947,0.027355747,0.829105198,0.033772574,0.001266257,0.328745351,128,SI,10.1039/D0DT02120B,2021,2021/8/19,RSC,All Solvent Removed,FALSE,376.8,0.8901563,0.87962963,none,
757,2021[Ce][kgd]2[ASR]1,d0dt02120b2_4_ASR_pacman,-,[O-]C(=O)c1cc(ccc1C(=O)[O-])Oc1c(cccc1C(=O)[O-])C(=O)[O-].[OH2][Ce] MOFid-v1.kgd.cat0;d0dt02120b2_4_ASR_pacman,[C8Ce2H4O18_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;d0dt02120b2_4_ASR_pacman,6.02822,5.14433,6.02611,1.36058,343.013,1404.29,1032.12,0,0,0,1293.61,0.5296,0.389244,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,Ce,Yes,Ce,PACMAN-DDEC6,14.29556343,0.738124522,0.015901119,0.823967922,0.035918988,0.869411553,0.043918134,0.00131287,0.350996725,140,SI,10.1039/D0DT02120B,2021,2021/8/19,RSC,All Solvent Removed,FALSE,387.5,0.6639446,0.81962963,none,
758,2021[Sm][kgd]2[ASR]1,d0dt02120b2_5_ASR_pacman,-,[O-]C(=O)c1cc(ccc1C(=O)[O-])Oc1c(cccc1C(=O)[O-])C(=O)[O-].[Sm] MOFid-v1.kgd.cat0;d0dt02120b2_5_ASR_pacman,[C8O16Sm2_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;d0dt02120b2_5_ASR_pacman,6.01576,5.15845,6.01576,1.35032,341.275,1408.51,1043.09,0,0,0,1348.13,0.5564,0.412049,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,Sm,Yes,Sm,PACMAN-DDEC6,15.39292,0.695048213,0.012072003,0.776457171,0.027051032,0.822273366,0.033035415,0.001272252,0.319304883,128,SI,10.1039/D0DT02120B,2021,2021/8/19,RSC,All Solvent Removed,FALSE,379,0.8795665,0.84962963,none,
759,2021[La][kgd]2[ASR]1,d0dt02120b2_6_ASR_pacman,-,[La].[O-]C(=O)c1cc(ccc1C(=O)[O-])Oc1c(cccc1C(=O)[O-])C(=O)[O-] MOFid-v1.kgd.cat0;d0dt02120b2_6_ASR_pacman,[C8La2O16_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.kgd.cat0;d0dt02120b2_6_ASR_pacman,6.06892,5.17463,6.06892,1.2855,347.281,1396.98,1086.72,0,0,0,1372.24,0.552,0.429405,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 2ybc,14,La,Yes,La,PACMAN-DDEC6,15.03496594,0.717707715,0.013316301,0.802675412,0.02760601,0.84700029,0.034451038,0.001292926,0.336603793,128,SI,10.1039/D0DT02120B,2021,2021/8/19,RSC,All Solvent Removed,FALSE,401.5,0.89985096,0.91962963,none,
760,2021[Zn][nan]3[ASR]6,d0dt02270e2_ASR_pacman,-,[O-]C(=O)c1ccc(s1)C(=O)[O-].[O]P(=O)[O].[Zn] MOFid-v1.unknown.cat0;d0dt02270e2_ASR_pacman,[C1O2Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1].[OH0][P][=Branch1][C][=O][OH0] MOFid-v2.UNKNOWN.cat0;d0dt02270e2_ASR_pacman,9.27985,8.95188,9.27985,1.08756,932.473,1656.38,1523.03,0,0,0,3771.83,0.67,0.61606,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2ab 2ac,56,Zn,No,N/A,PACMAN-DDEC6,18.43449936,0.705776842,0.010249325,0.764077038,0.013028346,0.810345288,0.014443272,0.001045684,0.394076826,200,SI,10.1039/D0DT02270E,2021,2021/7/14,RSC,All Solvent Removed,TRUE,382.7,0.24640116,0.5,weak,
761,2021[Cu][bex]2[ASR]1,d0dt02411b2_2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc(cc1)SSc1ccc(cc1)C(=O)[O-] MOFid-v1.bex.cat0;d0dt02411b2_2_ASR_pacman,unknown,6.62833,5.49766,6.30899,1.05286,720.067,1702.33,1616.85,0,0,0,2408.51,0.5694,0.540811,0,0,0,2,bex,unnamed,bex,unnamed,1,2,-P 1,2,Cu,No,N/A,PACMAN-DDEC6,11.1746705,0.854967743,0.035680169,0.954907976,0.057855161,1.022343015,0.068581286,0.001673753,0.358259459,240,SI,10.1039/D0DT02411B,2021,2021/9/2,RSC,All Solvent Removed,FALSE,254.7,0.9139626,0.727032967,none,
762,2021[Cu][sql]2[ASR]7,d0dt02411b2_3_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc(cc1)SSc1ccc(cc1)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;d0dt02411b2_3_ASR_pacman,[C4Cu2O8_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;d0dt02411b2_3_ASR_pacman,6.26196,4.61074,6.22835,0.989302,533.536,1781.81,1801.08,0,0,0,1810.98,0.6048,0.61134,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,11.4353559,0.850462994,0.030960168,0.95886768,0.048061598,1.019440026,0.064228882,0.00168977,0.351503961,156,SI,10.1039/D0DT02411B,2021,2021/9/2,RSC,All Solvent Removed,FALSE,313.4,0.7913401,0.574688139,none,
763,2021[Cu][sql]2[ASR]8,d0dt02642e2_1_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)c1c(C)[n-][nH]c1C MOFid-v1.sql.cat1;d0dt02642e2_1_ASR_pacman,unknown,5.64455,3.80324,5.62745,1.13227,351.183,1211.83,1070.26,0,0,0,1431.6,0.494,0.43629,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,8.981852364,0.990150356,0.043064882,1.102739177,0.071285485,1.206895205,0.064420668,0.002167448,0.341321278,220,SI,10.1039/D0DT02642E,2021,2021/9/3,RSC,All Solvent Removed,FALSE,357.8,0.19336998,0.924893268,weak,
764,2021[Cu][eea]3[ASR]1,d0dt03067h2_ASR_pacman,-,[Cu][Cu].[O-][n+]1cc(ccc1c1cc(cc(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.eea.cat0;d0dt03067h2_ASR_pacman,[C6Cu2O12_Type-1].[O-1][N+1][=C][C][=Branch2][Ring1][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.eea.cat0;d0dt03067h2_ASR_pacman,9.20584,4.05224,9.20584,1.05888,465.918,1361.31,1285.61,106.465,311.066,293.768,2070.66,0.605,0.571357,0,0,0,3,eea,unnamed,eea,unnamed,1,3,"R 3 2""",155,Cu,No,N/A,PACMAN-DDEC6,12.54296345,0.847335754,0.015695641,0.953734281,0.027628019,1.01279382,0.037625599,0.001654581,0.358851385,174,SI,10.1039/D0DT03067H,2021,2021/10/22,RSC,All Solvent Removed,TRUE,292.3,0.94297564,0.714751486,strong,
765,2021[Eu][nan]3[ASR]2,d0dt03176c2_ASR_pacman,-,[Eu]12[O]3[Eu]4[O]2[Eu]2[O]1[Eu]3[O]42.[O-]C(=O)c1ccc(cc1)c1ccc(nc1)C(=O)[O-] MOFid-v1.unknown.cat0;d0dt03176c2_ASR_pacman,[Eu4_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0dt03176c2_ASR_pacman,7.66896,7.55167,7.66896,1.43096,492.426,1296.37,905.948,0,0,0,2089.93,0.5502,0.384498,0.759698,0.0002,0.000139767,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw -1bw,88,Eu,No,N/A,PACMAN-DDEC6,15.15416222,0.66976581,0.020276435,0.729818795,0.039048209,0.772572854,0.04456024,0.00102807,0.364227835,216,SI,10.1039/D0DT03176C,2021,2021/10/2,RSC,All Solvent Removed,TRUE,412.3,0.84816885,0.73,weak,
766,2021[Eu][lvt]3[ASR]1,d0dt03264f2_1_ASR_pacman,-,"[Eu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.lvt,unknown.cat0;d0dt03264f2_1_ASR_pacman",unknown,8.26934,5.41817,8.26934,1.08296,667.136,2136.24,1972.6,0,0,0,2056.15,0.6584,0.607966,0,0,0,3,lvt,unnamed,lil,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,15.91163125,0.681373076,0.011602416,0.758999877,0.025421037,0.797670006,0.028255389,0.001162969,0.338975073,128,SI,10.1039/D0DT03264F,2021,2021/10/21,RSC,All Solvent Removed,FALSE,385.6,0.5963192,0.79,none,
767,2021[Nd][lvt]3[ASR]1,d0dt03264f2_3_ASR_pacman,-,unknown,unknown,8.04976,5.37633,8.04976,1.04871,1367.82,2153.37,2053.34,0,0,0,4064,0.6398,0.61008,0,0,0,3,lvt,unnamed,lil,unnamed,1,3,-C 2yc,15,Nd,Yes,Nd,PACMAN-DDEC6,15.67031875,0.696304516,0.012531525,0.770814364,0.024475379,0.808858625,0.030675504,0.001125541,0.364719785,256,SI,10.1039/D0DT03264F,2021,2021/10/21,RSC,All Solvent Removed,FALSE,409.2,0.55621636,0.85,none,
768,2021[Cd][nan]2[ASR]2,d0dt03648j2_1_ASR_pacman,-,unknown,unknown,5.02827,3.75595,5.01711,1.19222,199.338,1175.19,985.713,0,0,0,875.252,0.516,0.432806,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,10.68263018,0.834445538,0.031270929,0.927788813,0.061891329,0.987381616,0.074217456,0.001529361,0.38126238,114,SI,10.1039/D0DT03648J,2021,2021/12/8,RSC,All Solvent Removed,FALSE,363.2,0.49676263,0.6625,strong,
769,2021[Cu][nbo]3[ASR]1,d0dt04252h2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)CCc1ccc(cc1)C[N]12CCC[N]3([Cu]42(Cl)[N](CC1)(CCC[N]4(CC3)Cc1ccc(cc1)CCC(=O)[O-])Cc1ccc(cc1)CCC(=O)[O-])Cc1ccc(cc1)CCC(=O)[O-] MOFid-v1.nbo.cat1;d0dt04252h2_ASR_pacman,unknown,17.17781,11.88721,17.05494,0.554504,3386.9,1759.79,3173.63,0,0,0,14654,0.7614,1.37312,0,0,0,3,nbo,unnamed,nbo,unnamed,2,3,"-R 3 2""",166,Cu,Yes,Cu,PACMAN-DDEC6,8.500987302,0.986197405,0.065251184,1.043123016,0.12385302,1.091902099,0.117696361,0.001057047,0.670441079,756,SI,10.1039/D0DT03952G,2021,2021/12/16,RSC,All Solvent Removed,FALSE,259.9,0.7824446,0.796666667,weak,
770,2022[Sc][qtz]3[ASR]1,d0gc00454e2_ASR_pacman,-,[O-]C(=O)C(=O)[O-].[Sc] MOFid-v1.ERROR.cat0;d0gc00454e2_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d0gc00454e2_ASR_pacman,3.36985,2.94067,3.34159,1.3921,0,0,0,1.5792,19.9692,14.3447,405.848,0.5132,0.368652,0,0,0,3,qtz,unnamed,qtz,unnamed,1,3,P 62 2c (0 0 1),180,Sc,No,N/A,PACMAN-DDEC6,16.99953169,0.84798237,0.012546568,0.910456591,0.01418426,0.971440786,0.008427085,0.001234584,0.477855459,39,SI,10.1039/D0DT04252H,2022,2022/2/22,RSC,All Solvent Removed,FALSE,395.5,0.8537402,0.24,weak,
771,2021[Cu][dia]3[ASR]1,d0nj00207k2_3_ASR_pacman,-,C1=C[C]2C(=c3c(=C2[C](c2ccncc2)c2ccncc2)cccc3)C=C1.[C]#N.[Cu].n1ccc(cc1)[C](C1=c2ccccc2=C2C1=CC=C[CH]2)c1ccncc1 MOFid-v1.dia.cat0;d0nj00207k2_3_ASR_pacman,[C1Cu1_Type-1].[C][=C][CH0][C][=Branch2][Ring2][Ring1][=C][C][=Branch2][Ring1][#Branch1][=C][Ring1][Branch1][CH0][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2].[CH0][#N].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][=Branch2][=C][C][=C][CH1][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.dia.cat0;d0nj00207k2_3_ASR_pacman,4.51819,3.42821,4.51002,1.06374,224.957,853.774,802.617,0,0,0,1361.16,0.5166,0.485646,0,0,0,3,dia,unnamed,dia,unnamed,1,3,P 2ac 2ab,19,Cu,Yes,Cu,PACMAN-DDEC6,9.376903111,0.917150894,0.047199979,1.045263094,0.075777943,1.085259324,0.089436127,0.001681084,0.427511597,180,SI,10.1039/D0NJ00207K,2021,2021/3/6,RSC,All Solvent Removed,FALSE,288.1,0.54132324,0.651071429,unknown,
772,2021[Co][sql]2[ASR]2,d0nj00295j2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)SSc1ccncc1 MOFid-v1.sql.cat3;d0nj00295j2_ASR_pacman,[C2Co1O4_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat3;d0nj00295j2_ASR_pacman,6.07664,5.29283,6.02808,1.00269,536.139,1825.45,1820.55,0,0,0,1689.37,0.5752,0.573656,0,0,0,2,sql,unnamed,sql,unnamed,4,3,F 2 2 -1d,70,Co,Yes,Co,PACMAN-DDEC6,11.36825833,0.877768741,0.024451701,0.977826709,0.058300932,1.016941584,0.066131195,0.001391728,0.470407396,156,SI,10.1039/D0NJ00295J,2021,2021/2/17,RSC,All Solvent Removed,FALSE,316.6,0.87855995,0.86,none,
773,2021[Ni][nan]3[ASR]1,d0nj04179c2_4_ASR_pacman,-,"[Ni].[O-]C(=O)c1cccc(c1)C1=[N]=C(N=N1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown,rob.cat0;d0nj04179c2_4_ASR_pacman",unknown,5.33173,4.44846,5.30987,1.28204,233.542,874.618,682.21,0.320157,1.19899,0.935226,1313.74,0.492,0.383764,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,11.58170876,0.860145122,0.020337944,0.959531735,0.04496626,1.011060846,0.056043664,0.001509157,0.415374202,178,SI,10.1039/D0NJ04179C,2021,2021/9/23,RSC,All Solvent Removed,FALSE,362.6,0.7562907,0.688226601,strong,
774,2021[Mn][nan]3[ASR]2,d0nj04193a2_ASR_pacman,-,[Mn].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;d0nj04193a2_ASR_pacman,[Mn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0nj04193a2_ASR_pacman,16.00425,14.45637,15.99989,0.615226,1983.88,1341.23,2180.06,0,0,0,10620.3,0.718,1.16705,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Mn,Yes,Mn,PACMAN-DDEC6,9.580671713,0.921904028,0.044328224,1.038919984,0.067475871,1.100986916,0.079830966,0.001790829,0.393813532,572,SI,10.1039/D0NJ04193A,2021,2021/10/19,RSC,All Solvent Removed,FALSE,434.2,0.7506434,0.79,strong,
775,2021[Cu][pcu]3[ASR]3,d0qi00641f2_2_ASR_pacman,-,O=C(Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-].[Cu][Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.pcu.cat1;d0qi00641f2_2_ASR_pacman,[C4Cu2O8_Type-1].[O][=C][Branch1][P][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;d0qi00641f2_2_ASR_pacman,11.37052,9.86802,11.37052,0.621353,2038.5,2167.51,3488.38,0,0,0,6974.58,0.7416,1.19352,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,10.22995953,0.904039012,0.034844812,0.999753264,0.067369117,1.05709992,0.080780885,0.001530609,0.451250887,344,SI,10.1039/D0QI00641F,2021,2021/7/29,RSC,All Solvent Removed,TRUE,306.5,0.94341505,0.58936687,weak,
776,2021[Cu][sql]2[ASR]9,d0qi00642d1_3_ASR_pacman,-,Cc1cnccc1c1cccc(c1)C(=O)[O-].[Cu] MOFid-v1.sql.cat1;d0qi00642d1_3_ASR_pacman,[C2Cu1O4_Type-1].[C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d0qi00642d1_3_ASR_pacman,7.13716,5.1592,7.13716,1.14452,274.063,967.708,845.512,0,0,0,1357.7,0.4794,0.418864,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.207433962,0.961252177,0.042437168,1.067649198,0.087074646,1.117101464,0.097237539,0.001558493,0.503195106,212,SI,10.1039/D0QI00642D,2021,2021/7/23,RSC,All Solvent Removed,TRUE,319.4,0.6175339,0.754282801,weak,
777,2021[Cu][djg]3[ASR]1,d0qi01138j2_ASR_pacman,-,Cl[Cu].[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cncnc1 MOFid-v1.unknown.cat0;d0qi01138j2_ASR_pacman,[C4Cu2O8_Type-1].[Cl1Cu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][N][=C][N][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d0qi01138j2_ASR_pacman,6.99899,4.36761,6.13997,1.17634,352.786,1229.65,1045.32,98.4862,343.278,291.819,1644.51,0.5732,0.487276,0,0,0,3,djg,unnamed,djh,unnamed,1,3,"-R 3 2""",166,Cu,Yes,Cu,PACMAN-DDEC6,13.19737818,0.795612747,0.018182776,0.890522933,0.031134444,0.955879351,0.041659441,0.001602666,0.319738563,154,SI,10.1039/D0QI01138J,2021,2021/12/16,RSC,All Solvent Removed,TRUE,320.2,0.5974742,0.856319588,strong,
778,2021[Zn][nan]3[ASR]7,d0qi01216e2_1_ASR_pacman,-,CC1=NN=C([N]1)C.[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d0qi01216e2_1_ASR_pacman,[Zn1_Type-1].[C][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qi01216e2_1_ASR_pacman,9.25518,5.85382,9.1939,0.953025,488.837,1747.73,1833.87,0,0,0,1856.08,0.6636,0.696309,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,12.34760185,0.837851041,0.018708235,0.949740584,0.029947469,1.029381567,0.030855277,0.001915305,0.268634227,130,SI,10.1039/D0QI01216E,2021,2021/12/15,RSC,All Solvent Removed,FALSE,355.3,0.8650241,0.727281106,weak,
779,2021[Zn][nan]3[ASR]8,d0qi01216e2_2_ASR_pacman,-,NC1=NN=C([N]1)N.[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d0qi01216e2_2_ASR_pacman,[Zn1_Type-1].[N][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][N].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qi01216e2_2_ASR_pacman,9.4964,5.39515,9.4964,0.966907,520.733,1879.63,1943.96,0,0,0,1811.84,0.654,0.676384,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,13.22207148,0.802987988,0.021163486,0.915781925,0.036528334,0.959846594,0.045098623,0.001568586,0.34386705,122,SI,10.1039/D0QI01216E,2021,2021/12/15,RSC,All Solvent Removed,FALSE,331.1,0.70783556,0.737281106,weak,
780,2021[Zn][nan]3[ASR]9,d0qi01216e2_3_ASR_pacman,-,NC1=NN=C([N]1)N.[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C1=N[N]N=N1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d0qi01216e2_3_ASR_pacman,[Zn1_Type-1].[N][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][N].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][NH0][N][=N][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qi01216e2_3_ASR_pacman,9.18995,6.02541,9.1809,0.934417,605.308,1992.76,2132.62,0,0,0,2064.31,0.6796,0.727298,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,13.14772862,0.796907271,0.020096003,0.908930455,0.037736947,0.954497988,0.042692568,0.001575907,0.335211062,130,SI,10.1039/D0QI01216E,2021,2021/12/15,RSC,All Solvent Removed,FALSE,315,0.6514553,0.748709677,weak,
781,2021[Zn][nan]3[ASR]10,d0qi01216e2_5_ASR_pacman,-,CC1=NN=C([N]1)C.[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d0qi01216e2_5_ASR_pacman,[Zn1_Type-1].[C][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qi01216e2_5_ASR_pacman,8.59169,5.65808,8.59169,0.909021,638.694,2055.02,2260.7,0,0,0,2040.07,0.6564,0.722096,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,C 2c -2,36,Zn,Yes,Zn,PACMAN-DDEC6,12.32826261,0.837610411,0.01953303,0.927953612,0.044634594,0.981520858,0.052758034,0.001439104,0.412008396,138,SI,10.1039/D0QI01216E,2021,2021/12/15,RSC,All Solvent Removed,TRUE,331.1,0.90800905,0.748709677,unknown,
782,2021[Zn][nan]3[ASR]11,d0qi01216e2_6_ASR_pacman,-,NC1=NN=C([N]1)N.[O-]C(=O)c1cc(cc(c1)C1=NN=N[N]1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d0qi01216e2_6_ASR_pacman,[Zn1_Type-1].[N][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][N].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qi01216e2_6_ASR_pacman,5.34821,3.64058,5.34517,1.28059,281.768,1271.27,992.724,0,0,0,1238.98,0.559,0.436518,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,13.14772862,0.802636535,0.019426005,0.913788759,0.036396653,0.960725495,0.042570209,0.00158089,0.339072237,130,SI,10.1039/D0QI01216E,2021,2021/12/15,RSC,All Solvent Removed,FALSE,394.2,0.8285486,0.867281106,strong,
783,2021[Zn][nan]3[ASR]12,d0qi01216e2_7_ASR_pacman,-,CC1=NN=C([N]1)C.[O-]C(=O)c1cc(cc(c1)C1=N[N]N=N1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d0qi01216e2_7_ASR_pacman,[Zn1_Type-1].[C][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][NH0][N][=N][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qi01216e2_7_ASR_pacman,9.45114,6.4791,9.44182,0.901398,1126.52,1797.1,1993.69,0,0,0,4256.31,0.679,0.753275,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2n 2ab,60,Zn,No,N/A,PACMAN-DDEC6,12.32826261,0.83393155,0.01823184,0.920624971,0.04520758,0.977208345,0.050987396,0.001432768,0.409119509,276,SI,10.1039/D0QI01216E,2021,2021/12/15,RSC,All Solvent Removed,FALSE,316.3,0.9073887,0.798709677,weak,
784,2021[Cd][sql]2[ASR]2,d0qm00611d2_ASR_pacman,-,O=C(c1cccnc1)N[N][CH]c1cccnc1.[Cd].[O-]C(=O)c1cc(cc(c1)N(=O)=O)C(=O)[O-] MOFid-v1.sql.cat0;d0qm00611d2_ASR_pacman,unknown,5.0765,3.92433,4.95641,1.1485,259.761,1639.97,1427.91,0,0,0,895.561,0.5654,0.492293,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,11.90777217,0.824260293,0.023522705,0.93534289,0.039315421,0.990880727,0.051842622,0.001666204,0.33365645,92,SI,10.1039/D0QM00611D,2021,2021/9/30,RSC,All Solvent Removed,FALSE,299.2,0.9027989,0.760814685,strong,
785,2022[Zn][nan]3[ASR]2,d0qm01097a2_3_ASR_pacman,-,NC1=NC=NC2=NC=N[C]12.Nc1cc(ccc1c1ccc(cc1N)C(=O)[O-])C(=O)[O-].[Zn].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.unknown.cat0;d0qm01097a2_3_ASR_pacman,[C2O4Zn1_Type-1].[C4O9Zn4_Type-1].[N][C][=N][C][=N][C][=N][C][=N][CH0][Ring1][=Branch2][Ring1][Branch1].[N][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0qm01097a2_3_ASR_pacman,13.36303,8.26092,13.36303,0.962116,2007.25,1435.24,1491.75,0,0,0,8768.92,0.627,0.651688,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4 2 -1n,126,Zn,Yes,Zn,PACMAN-DDEC6,11.06948219,0.862296582,0.030869348,0.97478063,0.05249248,1.022853282,0.065163465,0.001605567,0.391361708,732,SI,10.1039/D0QM01097A,2022,2022/1/19,RSC,All Solvent Removed,FALSE,344.4,0.96807337,0.715031516,weak,
786,2020[Tb][pcu]3[ASR]1,d0ra01294g2_2_ASR_pacman,-,[O-]C(=O)c1cc(O)c(cc1O)C(=O)[O-].[Tb] MOFid-v1.pcu.cat0;d0ra01294g2_2_ASR_pacman,[C6O12Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;d0ra01294g2_2_ASR_pacman,6.46172,4.50656,6.46172,1.22059,550.269,2231.74,1828.42,0,0,0,1555.33,0.6308,0.516801,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Tb,Yes,Tb,PACMAN-DDEC6,16.18199964,0.648056494,0.018002514,0.731340532,0.025364597,0.777993184,0.033988887,0.001299367,0.264351656,112,SI,10.1039/D0RA01294G,2020,2020/3/31,RSC,All Solvent Removed,FALSE,219,0.93018067,0.688888889,none,
787,2020[Eu][pcu]3[ASR]1,d0ra01294g2_3_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(O)c(cc1O)C(=O)[O-] MOFid-v1.pcu.cat0;d0ra01294g2_3_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;d0ra01294g2_3_ASR_pacman,6.47697,4.51275,6.47697,1.19567,553.4,2232.93,1867.51,0,0,0,1564.83,0.6314,0.528071,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,15.93338,0.661998635,0.017659477,0.744574446,0.026125147,0.789686345,0.034234118,0.001276877,0.285179492,112,SI,10.1039/D0RA01294G,2020,2020/3/31,RSC,All Solvent Removed,FALSE,225.5,0.93352354,0.619388889,none,
788,2020[Gd][pcu]3[ASR]1,d0ra01294g2_4_ASR_pacman,-,[Gd].[O-]C(=O)c1cc(O)c(cc1O)C(=O)[O-] MOFid-v1.pcu.cat0;d0ra01294g2_4_ASR_pacman,[C6Gd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;d0ra01294g2_4_ASR_pacman,6.46354,4.51401,6.46154,1.21247,551.68,2230.83,1839.91,0,0,0,1559.46,0.6306,0.520097,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Gd,Yes,Gd,PACMAN-DDEC6,16.12216571,0.654241166,0.017490102,0.736317787,0.025321514,0.782414955,0.033946862,0.001281738,0.275716372,112,SI,10.1039/D0RA01294G,2020,2020/3/31,RSC,All Solvent Removed,FALSE,224.2,0.93329984,0.688888889,none,
789,2020[Cd][nan]3[ASR]6,d0ra05131d2_1_ASR_pacman,-,unknown,unknown,4.78781,2.672,4.78124,1.34974,0,0,0,211.819,924.253,684.764,1150.48,0.502,0.371924,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,12.25535105,0.790634402,0.022884096,0.879591487,0.04806409,0.942805609,0.060162084,0.001521712,0.338411277,152,SI,10.1039/D0RA05131D,2020,2020/8/18,RSC,All Solvent Removed,TRUE,343.1,0.66485786,0.71,weak,
790,2020[Cd][nan]3[ASR]7,d0ra05131d2_4_ASR_pacman,-,unknown,unknown,4.93802,3.05985,4.93802,1.54301,0,0,0,204.184,893.934,579.345,1187.73,0.52,0.337004,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,15.16008314,0.621356225,0.019234738,0.681481473,0.042261879,0.733180829,0.050386366,0.001118246,0.287286728,140,SI,10.1039/D0RA05131D,2020,2020/8/18,RSC,All Solvent Removed,TRUE,325.2,0.8620571,0.68,weak,
791,2020[Cd][rtl]3[ASR]1,d0ra06529c2_3_ASR_pacman,-,"[Cd][Cd].[O-]C(=O)c1cc(cc(c1)n1cnc2c1cccc2)C(=O)[O-] MOFid-v1.rtl,sql.cat0;d0ra06529c2_3_ASR_pacman","[C4Cd2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;d0ra06529c2_3_ASR_pacman",4.37729,2.47979,4.30342,1.3512,0,0,0,222.023,1150.28,851.302,1024.53,0.5308,0.392835,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,13.08820067,0.745198423,0.023189361,0.841491003,0.034487572,0.89978033,0.048422892,0.001545819,0.287786578,120,SI,10.1039/D0RA06529C,2020,2020/9/22,RSC,All Solvent Removed,TRUE,397,0.5305484,0.68,weak,
792,2020[Y][mog]3[ASR]1,d0ra08485a2_2_ASR_pacman,-,[O-]C(=O)c1ncc(nc1)C(=O)[O-].[Y] MOFid-v1.ERROR.cat0;d0ra08485a2_2_ASR_pacman,[Y1_Type-1].[O-1][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d0ra08485a2_2_ASR_pacman,5.86101,5.26698,5.85189,1.25566,121.957,1364.04,1086.31,0,0,0,498.364,0.5574,0.44391,0,0,0,3,mog,unnamed,unnamed,unnamed,1,3,-P 1,2,Y,No,N/A,PACMAN-DDEC6,15.36556682,0.757773593,0.00892142,0.846817443,0.017478163,0.899886991,0.021227177,0.001421134,0.337429115,44,SI,10.1039/D0RA08485A,2020,2020/10/16,RSC,All Solvent Removed,FALSE,370.4,0.79531205,0.34,superstrong_high_loading,
793,2020[Gd][nan]2[ASR]1,d0sc01762k2_ASR_pacman,-,"[Gd].[O]P(=O)(C[NH](CP(=O)(O)[O])CP(=O)([O])[O])O.[O]P(=O)(C[NH](CP(=O)([O])O)CP(=O)([O])[O])O MOFid-v1.ERROR,unknown.cat0;d0sc01762k2_ASR_pacman",unknown,3.01528,2.44659,2.89505,2.49094,0,0,0,0,0,0,416.749,0.3448,0.138421,0,0,0,2,unstable,unnamed,unnamed,unnamed,1,3,-P 1,2,Gd,No,N/A,PACMAN-DDEC6,17.43369792,0.673961317,0.013948889,0.750965602,0.016540806,0.792580147,0.017259936,0.001186188,0.324003119,104,SI,10.1039/D0SC01762K,2020,2020/5/27,RSC,All Solvent Removed,FALSE,443.8,0.8503121,0.7,superstrong_high_loading,
794,2020[In][hcb]2[ASR]1,d0sc01994a2_ASR_pacman,-,[In].[O]c1c(Cl)c([O])c(c(c1[O])Cl)[O] MOFid-v1.hcb.cat0;d0sc01994a2_ASR_pacman,[In1_Type-1].[OH0][C][=C][Branch1][C][Cl][C][Branch1][C][OH0][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][OH0][Cl][OH0] MOFid-v2.hcb.cat0;d0sc01994a2_ASR_pacman,8.43082,7.16561,8.43082,1.03046,237.305,1731.39,1680.21,19.1194,139.496,135.372,953.94,0.696,0.675426,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 3 2,162,In,No,N/A,PACMAN-DDEC6,22.38261579,0.611638052,0.006431336,0.664214781,0.009319038,0.715156596,0.008281597,0.001035185,0.301354903,38,SI,10.1039/D0SC01994A,2020,2020/5/11,RSC,All Solvent Removed,TRUE,252.4,0.92439246,0.41,weak,
795,2020[Tb][nan]3[ASR]4,d0sc02856h2_1_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Tb] MOFid-v1.rnb.cat0;d0sc02856h2_1_ASR_pacman,[Tb1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.rnb.cat0;d0sc02856h2_1_ASR_pacman,6.88171,6.36573,6.88171,1.6218,698.225,1552.5,957.269,0,0,0,2550.03,0.567,0.349611,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4cw 2c,95,Tb,Yes,Tb,PACMAN-DDEC6,19.26536158,0.574268188,0.014422473,0.637951962,0.023552007,0.675569384,0.02803498,0.001013012,0.274708993,228,SI,10.1039/D0SC02856H,2020,2020/8/4,RSC,All Solvent Removed,FALSE,455.9,0.90634704,0.778518519,unknown,
796,2021[Co][nan]3[ASR]4,d0ta04121a2_ASR_pacman,-,Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co][OH]([Co][OH]([Co])[Co])[Co] MOFid-v1.unknown.cat0;d0ta04121a2_ASR_pacman,[C8Co5H2O18_Type-1].[N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0ta04121a2_ASR_pacman,5.87708,3.64729,5.87708,1.62772,323.141,757.636,465.46,0,0,0,1816.09,0.4258,0.261594,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,12.90369204,0.816951053,0.020753516,0.916168751,0.042137072,0.966857087,0.047742933,0.00149906,0.375321177,324,SI,10.1039/D0TA04121A,2021,2021/6/10,RSC,All Solvent Removed,FALSE,333.4,0.7652739,0.48,strong,
797,2022[Ni][kgd]2[ASR]1,d0ta04898d2_ASR_pacman,-,unknown,unknown,9.42475,3.73491,9.42475,0.827768,333.074,1755.65,2120.94,0,0,0,1156.13,0.6094,0.736196,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-R 3,148,Ni,No,N/A,PACMAN-DDEC6,8.519806126,0.951151654,0.060347757,1.084344519,0.101869811,1.163323869,0.107909597,0.002121722,0.323670593,111,SI,10.1039/D0TA04898D,2022,2022/2/1,RSC,All Solvent Removed,TRUE,371.1,0.42222735,0.87,weak,
798,2020[Cu][nbo]3[ASR]2,d0ta06830f2_21_ASR_pacman,-,unknown,"[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_21_ASR_pacman",22.95364,12.78292,22.95364,0.320875,15443.4,1586.61,4944.63,0,0,0,84176.2,0.8648,2.69513,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Cu,Yes,Cu,PACMAN-DDEC6,10.88454722,0.839395616,0.034324392,0.942942769,0.048647003,1.021618714,0.064965112,0.001822231,0.29687152,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,324.8,0.7755945,0.4,weak,
799,2020[Cu][nbo]3[ASR]3,d0ta06830f2_22_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_22_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_22_ASR_pacman",22.78188,12.52223,22.78188,0.323188,15435,1597.17,4941.93,0,0,0,83747.7,0.8666,2.68141,0,0,0,3,nbo,unnamed,tfb,unnamed,1,2,-P 2ac 2ab 3,205,Cu,Yes,Cu,PACMAN-DDEC6,10.88454722,0.834127558,0.034840761,0.94127026,0.050485426,1.021802028,0.064449087,0.001876745,0.275539305,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,323.8,0.76555246,0.4,weak,
800,2020[Ni][nbo]3[ASR]1,d0ta06830f2_23_ASR_pacman,-,"[Ni][Ni].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_23_ASR_pacman","[C4Ni2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_23_ASR_pacman",22.80759,12.55712,22.80759,0.31856,15513.7,1602.17,5029.42,0,0,0,83505.4,0.8624,2.70718,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Ni,Yes,Ni,PACMAN-DDEC6,10.74975278,0.851437234,0.036035827,0.950611824,0.050081557,1.032815001,0.064077523,0.001813778,0.310132504,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,346.5,0.70726633,0.42,weak,
801,2020[Zn][nbo]3[ASR]3,d0ta06830f2_25_ASR_pacman,-,"[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Zn][Zn] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_25_ASR_pacman","[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_25_ASR_pacman",22.41586,11.98152,22.41586,0.330726,15458.2,1629.21,4926.18,0,0,0,81730.7,0.8614,2.60458,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Zn,Yes,Zn,PACMAN-DDEC6,10.93549167,0.833055208,0.035376944,0.934991859,0.050308719,1.010088279,0.064978815,0.001770331,0.306429368,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,370.7,0.62227875,0.48,weak,
802,2021[Cu][nbo]3[ASR]2,d0ta06830f2_26_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_26_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_26_ASR_pacman",23.7754,13.16055,23.77539,0.312648,15481.9,1549.78,4956.96,0,0,0,86850.8,0.8694,2.78077,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Cu,Yes,Cu,PACMAN-DDEC6,10.88454722,0.836532919,0.034827392,0.935886397,0.048690982,1.020800638,0.064532465,0.001842677,0.286136302,1728,SI,10.1039/D0CE01395A,2021,2021/11/25,RSC,All Solvent Removed,FALSE,322.4,0.79462373,0.4,weak,
803,2020[Co][nbo]3[ASR]2,d0ta06830f2_27_ASR_pacman,-,"[Co][Co].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_27_ASR_pacman","[C4Co2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_27_ASR_pacman",22.51791,11.98939,22.51791,0.323808,15567.8,1633.23,5043.83,0,0,0,82145.7,0.8618,2.66145,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Co,Yes,Co,PACMAN-DDEC6,10.75641375,0.84943941,0.035955427,0.950810018,0.05087441,1.02828481,0.065429742,0.001788454,0.316885842,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,339,0.6888085,0.35,none,
804,2020[Mn][nbo]3[ASR]1,d0ta06830f2_28_ASR_pacman,-,"[Mn][Mn].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_28_ASR_pacman","[C4Mn2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_28_ASR_pacman",22.45958,11.94743,22.45958,0.317955,15737.9,1638.13,5152.09,0,0,0,82448.9,0.8582,2.69912,0,0,0,3,nbo,unnamed,tfb,unnamed,1,2,-P 2ac 2ab 3,205,Mn,Yes,Mn,PACMAN-DDEC6,10.64543736,0.864330305,0.036102877,0.969190742,0.050436227,1.049196413,0.065665044,0.001848661,0.313874441,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,385.8,0.6519281,0.48,none,
805,0000[Fe][nbo]3[ASR]1,d0ta06830f2_29_ASR_pacman,-,"[Fe][Fe].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_29_ASR_pacman","[C4Fe2O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_29_ASR_pacman",22.61205,12.09156,22.61205,0.319335,15600.5,1627.03,5095.06,0,0,0,82632.2,0.8618,2.69874,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Fe,Yes,Fe,PACMAN-DDEC6,10.67063056,0.85869241,0.035029374,0.963589261,0.048809413,1.044406357,0.06450334,0.001857139,0.305563863,1728,SI,10.1039/D0TA06830F,unknown,unknown,RSC,All Solvent Removed,FALSE,349.4,0.67233086,0.38,weak,
806,2020[Cu][nbo]3[ASR]4,d0ta06830f2_8_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(=O)[O-])C(=O)[O-])C(=O)[O-] MOFid-v1.nbo,tfb.cat0;d0ta06830f2_8_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch2][Branch1][#C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.nbo,tfb.cat0;d0ta06830f2_8_ASR_pacman",22.56317,12.18847,22.56317,0.328096,15398.4,1617.58,4930.21,0,0,0,82342.5,0.865,2.63642,0,0,0,3,nbo,unnamed,tfb,unnamed,1,3,-P 2ac 2ab 3,205,Cu,Yes,Cu,PACMAN-DDEC6,10.88454722,0.834564853,0.034988268,0.929764482,0.048277255,1.01106635,0.06431711,0.001765015,0.307376653,1728,SI,10.1039/D0TA06830F,2020,2020/9/14,RSC,All Solvent Removed,FALSE,321.3,0.7477399,0.4,weak,
807,2021[Zn][nan]2[ASR]1,d0ta09624e2_ASR_pacman,-,unknown,unknown,7.30191,5.61883,7.30191,1.13982,203.682,1350.96,1185.24,0,0,0,838.273,0.556,0.487796,0,0,0,2,unstable,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.89327158,0.870911124,0.027120207,0.993653755,0.038278496,1.056713874,0.050035154,0.001858027,0.32344996,95,SI,10.1039/D0TA09624E,2021,2021/12/22,RSC,All Solvent Removed,FALSE,408.4,0.22895446,0.73,weak,
808,2021[Ho][nan]3[ASR]1,d0tc00736f2_1_ASR_pacman,-,unknown,unknown,3.83942,2.94735,3.83942,2.24294,0,0,0,13.1921,233.826,104.25,224.997,0.3988,0.177803,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Ho,Yes,Ho,PACMAN-DDEC6,17.31962682,0.639910333,0.020247921,0.712514207,0.02298755,0.760104635,0.027418049,0.001201943,0.283496335,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,277.2,0.537068,0.69,superstrong_high_loading,
809,2021[Tb][nan]3[ASR]1,d0tc00736f2_10_ASR_pacman,-,unknown,unknown,3.74645,2.88419,3.74645,2.34369,0,0,0,9.54061,172.178,73.4645,216.88,0.3914,0.167002,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Tb,Yes,Tb,PACMAN-DDEC6,17.774575,0.630591959,0.019434535,0.695219399,0.023198678,0.741397338,0.026102177,0.001108054,0.301250738,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,276.4,0.59028196,0.58,superstrong_high_loading,
810,2021[Tm][nan]3[ASR]1,d0tc00736f2_11_ASR_pacman,-,unknown,unknown,3.74735,2.89821,3.74735,2.344,0,0,0,10.6692,192.571,82.1547,219.621,0.3964,0.169112,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Tm,Yes,Tm,PACMAN-DDEC6,17.774575,0.627813526,0.021119777,0.695295597,0.024051897,0.741773782,0.027015581,0.001139603,0.289433406,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,276.3,0.59121406,0.58,superstrong_high_loading,
811,2021[Tm][nan]3[ASR]2,d0tc00736f2_12_ASR_pacman,-,unknown,unknown,3.83009,2.8364,3.83009,2.40909,0,0,0,7.16714,130.506,54.1724,204.295,0.372,0.154415,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Tm,Yes,Tm,PACMAN-DDEC6,16.95204596,0.643268918,0.02279173,0.713600903,0.027256621,0.75880012,0.031532832,0.001155312,0.300864106,47,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,262.4,0.49263072,0.62,superstrong_high_loading,
812,2021[Er][nan]3[ASR]1,d0tc00736f2_13_ASR_pacman,-,unknown,unknown,3.84937,2.92658,3.84937,2.38678,0,0,0,6.19923,112.494,47.1321,201.472,0.3656,0.153177,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Er,Yes,Er,PACMAN-DDEC6,16.85295319,0.651185693,0.022566167,0.721364653,0.027662306,0.766918559,0.031578868,0.001157329,0.308091271,47,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,255.8,0.50202686,0.63,superstrong_high_loading,
813,2021[Ho][nan]3[ASR]2,d0tc00736f2_2_ASR_pacman,-,unknown,unknown,3.83265,2.90843,3.83265,2.30192,0,0,0,11.6758,209.097,90.836,220.9,0.3956,0.171857,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Ho,Yes,Ho,PACMAN-DDEC6,17.59258,0.635649805,0.020114549,0.70418162,0.023582619,0.751585684,0.02690974,0.001159359,0.291363464,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,269.6,0.5638654,0.69,superstrong_high_loading,
814,2021[Dy][nan]3[ASR]1,d0tc00736f2_3_ASR_pacman,-,unknown,unknown,3.80499,2.9187,3.80499,2.30749,0,0,0,10.6352,192.128,83.2627,218.872,0.3954,0.171355,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Dy,Yes,Dy,PACMAN-DDEC6,17.48211091,0.63304844,0.020786541,0.702483895,0.023762554,0.752757415,0.027413814,0.00119709,0.277115173,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,266.3,0.5560881,0.69,superstrong_high_loading,
815,2021[Er][nan]3[ASR]2,d0tc00736f2_6_ASR_pacman,-,unknown,unknown,3.82572,2.89643,3.82572,2.33605,0,0,0,10.497,189.632,81.1765,217.212,0.3924,0.167976,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,P 1,1,Er,Yes,Er,PACMAN-DDEC6,17.69842909,0.630700359,0.019790388,0.697633605,0.023583068,0.744844656,0.027375426,0.001141443,0.291554502,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,272.8,0.57711685,0.64,superstrong_high_loading,
816,2021[Dy][nan]3[ASR]2,d0tc00736f2_7_ASR_pacman,-,unknown,unknown,3.83232,2.97496,3.8165,2.2759,0,0,0,12.5032,222.782,97.8876,225.166,0.4012,0.176282,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Dy,Yes,Dy,PACMAN-DDEC6,17.48211091,0.634957259,0.020926685,0.708557723,0.022613534,0.756490665,0.027192962,0.001215334,0.27463496,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,265.9,0.56113493,0.69,superstrong_high_loading,
817,2021[Tb][nan]3[ASR]2,d0tc00736f2_9_ASR_pacman,-,unknown,unknown,3.87424,2.9635,3.87424,2.24501,0,0,0,13.7787,244.448,108.885,227.833,0.4042,0.180044,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Tb,Yes,Tb,PACMAN-DDEC6,17.31962682,0.642979554,0.020618393,0.715079916,0.024073718,0.765163432,0.026714518,0.001221839,0.280097394,44,SI,10.1039/D0TC00736F,2021,2021/5/4,RSC,All Solvent Removed,FALSE,277.4,0.5379072,0.69,superstrong_high_loading,
818,2021[Cd][pts]3[ASR]2,d0tc01126f2_ASR_pacman,-,"[Cd].[O-]C(=O)c1ccc(cc1)C1=C(N[C](N1)c1ccc(cc1)[C]1NC(=C(N1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.pts,tfi.cat0;d0tc01126f2_ASR_pacman","[C4Cd1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Branch1][N][N][CH0][Branch1][Ring2][N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][CH0][N][C][=Branch2][Ring1][=Branch1][=C][Branch1][Ring2][N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pts,tfi.cat0;d0tc01126f2_ASR_pacman",6.15209,5.43901,6.15209,1.06943,369.596,1485.71,1389.25,0,0,0,1368.22,0.55,0.514293,0,0,0,3,pts,unnamed,tfi,unnamed,3,3,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,10.40326701,0.870936509,0.030242628,1.003447558,0.050745527,1.059684745,0.066837743,0.001887482,0.31740411,154,SI,10.1039/D0TC01126F,2021,2021/7/10,RSC,All Solvent Removed,TRUE,332.6,0.7113408,0.34,strong,
819,2021[Hf][sqc]3[ASR]1,d0tc04154h2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)[O-])c(nc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[OH]12[Hf]34[OH]5[Hf]62[OH]2[Hf]71[OH]4[Hf]14[OH]3[Hf]35[OH]6[Hf]2([OH]71)[OH]43 MOFid-v1.unknown.cat0;d0tc04154h2_ASR_pacman,[C8H8Hf6O24_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=N][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d0tc04154h2_ASR_pacman,9.19603,6.9911,9.0482,1.13298,1603.55,2358,2081.24,0,0,0,4760.33,0.7,0.61784,1.36009,0.0002,0.000176526,3,sqc,unnamed,sqc,unnamed,1,3,I 4bw 2bw -1bw,141,Hf,No,N/A,PACMAN-DDEC6,16.81126667,0.575636192,0.02007292,0.632615703,0.032326482,0.672783537,0.037159734,0.000971473,0.286996104,276,SI,10.1039/D0TC04154H,2021,2021/10/22,RSC,All Solvent Removed,FALSE,496.7,0.7929859,0.73,strong,
820,2021[Mn][nan]2[ASR]2,d0tc04292g2_ASR_pacman,-,[Mn][OH2][Mn][OH2][Mn].[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;d0tc04292g2_ASR_pacman,[C8H4Mn3O18_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d0tc04292g2_ASR_pacman,5.9032,5.31291,5.81174,1.03368,340.782,1361.46,1317.1,0,0,0,1374.18,0.549,0.531111,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Mn,Yes,Mn,PACMAN-DDEC6,9.924369777,0.916729862,0.032656107,1.033336895,0.065352838,1.087673746,0.078569773,0.001709439,0.414276575,157,SI,10.1039/D0TC04292G,2021,2021/11/2,RSC,All Solvent Removed,FALSE,402.8,0.60619766,0.703076923,strong,
821,2021[Eu][pcu]3[ASR]1,d0tc04781c2_1_ASR_pacman,-,[Eu][Eu].[O-]C(=O)c1c(F)c(F)c(c(c1F)F)C(=O)[O-] MOFid-v1.pcu.cat0;d0tc04781c2_1_ASR_pacman,unknown,3.56221,2.92578,3.56221,1.91618,0,0,0,5.12848,21.558,11.2505,817.397,0.3436,0.179315,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-C 2yc,15,Eu,No,N/A,PACMAN-DDEC6,14.60179871,0.719285057,0.013335542,0.805933489,0.028379323,0.864997281,0.031443587,0.001457122,0.286745824,188,SI,10.1039/D0TC04781C,2021,2021/11/18,RSC,All Solvent Removed,FALSE,355.3,0.881459,0.77962963,none,
822,2022[Tb][nan]3[ASR]1,d0tc05573e2_ASR_pacman,-,"[O-]C(=O)c1cc(NC2=NC(=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-].[Tb]O[Tb] MOFid-v1.ERROR,unknown.cat0;d0tc05573e2_ASR_pacman",unknown,16.50327,4.60014,16.50327,1.07791,1406.54,1322.76,1227.15,0,0,0,6909.6,0.6498,0.602836,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 2 2 3,197,Tb,No,N/A,PACMAN-DDEC6,14.56210557,0.716608478,0.017085358,0.805997295,0.034158062,0.852057976,0.036351597,0.001354495,0.31748134,474,SI,10.1039/D0TC05573E,2022,2022/1/21,RSC,All Solvent Removed,TRUE,377.6,0.7310402,0.86,superstrong_high_loading,
823,2022[In][kgm]2[ASR]1,d0tc05655c2_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cn1)C(=O)[O-] MOFid-v1.kgm.cat1;d0tc05655c2_ASR_pacman,[C4In1O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.kgm.cat1;d0tc05655c2_ASR_pacman,8.735,3.2117,8.735,1.17906,0,0,0,566.216,1505.68,1277.02,2274.37,0.6048,0.512952,0,0,0,2,kgm,unnamed,kgm,unnamed,2,3,"-R 3 2""c",167,In,No,N/A,PACMAN-DDEC6,14.35561419,0.752660977,0.015546207,0.849479231,0.031840984,0.897176453,0.035942443,0.001445155,0.327301385,186,SI,10.1039/D0TC05655C,2022,2022/2/1,RSC,All Solvent Removed,TRUE,383.6,0.770825,0.444807692,weak,
824,2022[Sm][nan]3[ASR]1,d1ay01050f2_ASR_pacman,-,unknown,[C10O20Sm4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d1ay01050f2_ASR_pacman,5.54173,4.71878,5.54173,1.61459,191.861,1380.03,854.725,0,0,0,780.494,0.5614,0.347704,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Sm,Yes,Sm,PACMAN-DDEC6,21.121785,0.569860047,0.009495562,0.629823739,0.013055363,0.657575438,0.014781132,0.000877154,0.312082542,64,SI,10.1039/D1AY01050F,2022,2022/8/23,RSC,All Solvent Removed,FALSE,378,0.80569994,0.5905,none,
825,2022[Mn][sql]2[ASR]1,d1cc03431f2_1_ASR_pacman,-,unknown,unknown,8.01344,5.36531,7.99706,1.00781,737.096,1557.81,1545.74,0,0,0,2758.53,0.583,0.578481,0,0,0,2,sql,unnamed,unnamed,unnamed,2,3,-P 2ac 2,53,Mn,Yes,Mn,PACMAN-DDEC6,10.71508493,0.835509855,0.038934704,0.922910816,0.067406618,1.003516906,0.073750136,0.001680071,0.332621179,268,SI,10.1039/D1CC03431F,2022,2022/8/10,RSC,All Solvent Removed,FALSE,319,0.84490204,0.65,strong,
826,2022[Co][sql]2[ASR]1,d1cc03431f2_2_ASR_pacman,-,[Co].[nH]1[n-]cc(c1)C1=C2C=CC3=[N]2[Co]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2c[n-][nH]c2)cc1)c1c[n-][nH]c1)c1c[n-][nH]c1 MOFid-v1.sql.cat1;d1cc03431f2_2_ASR_pacman,unknown,9.0054,8.27549,9.0054,0.964305,653.698,1374.49,1425.37,0,0,0,2864.01,0.6022,0.624491,0,0,0,2,sql,unnamed,unnamed,unnamed,2,3,-P 2ac 2,53,Co,Yes,Co,PACMAN-DDEC6,10.46133318,0.840116765,0.039924438,0.938781261,0.068742487,1.018594558,0.076687058,0.001784778,0.307825253,264,SI,10.1039/D1CC03431F,2022,2022/8/10,RSC,All Solvent Removed,FALSE,340.5,0.8909774,0.81,weak,
827,2022[CoMn][sql]2[ASR]1,d1cc03431f2_3_ASR_pacman,-,[Co].[nH]1[n-]cc(c1)C1=C2C=CC3=[N]2[Mn]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2c[n-][nH]c2)cc1)c1c[n-][nH]c1)c1c[n-][nH]c1 MOFid-v1.sql.cat1;d1cc03431f2_3_ASR_pacman,unknown,9.05169,8.30105,9.04046,0.953476,662.627,1385.64,1453.25,0,0,0,2947.69,0.6164,0.646477,0,0,0,2,sql,unnamed,unnamed,unnamed,2,3,-P 2ac 2,53,"Co,Mn",Yes,"Co,Mn",PACMAN-DDEC6,10.40080061,0.84624233,0.039753633,0.946123207,0.06778065,1.02624448,0.076691422,0.001800022,0.309529145,264,SI,10.1039/D1CC03431F,2022,2022/8/10,RSC,All Solvent Removed,FALSE,319.4,0.8939305,0.77,weak,
828,2022[Zn][nan]3[ASR]3,d1cc04371d2_ASR_pacman,-,"Nn1c(nnc1c1ccncc1)c1ccncc1.[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.unknown,pcu.cat1;d1cc04371d2_ASR_pacman","[C6O12Zn3_Type-1].[N][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,pcu.cat1;d1cc04371d2_ASR_pacman",7.64152,3.58966,7.64152,1.12818,423.351,1215.59,1077.48,0,0,0,1955.18,0.5614,0.497614,0,0,0,3,mismatch,unnamed,mismatch,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.65796541,0.866072913,0.030642354,0.971729908,0.059603473,1.027977893,0.073815922,0.00161905,0.388592812,222,SI,10.1039/D1CC04371D,2022,2022/9/20,RSC,All Solvent Removed,FALSE,402,0.8998463,0.56,weak,
829,2022[Cd][nuc]3[ASR]1,d1cc05316g2_1_ASR_pacman,-,Nn1c(nnc1c1cccc(c1)c1ccncc1)c1cccc(c1)c1ccncc1.[Cd] MOFid-v1.unknown.cat0;d1cc05316g2_1_ASR_pacman,[Cd1_Type-1].[N][N][C][=Branch2][Ring1][Branch2][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d1cc05316g2_1_ASR_pacman,4.95702,4.0645,4.95441,1.10193,504.715,937.323,850.619,34.6132,64.2813,58.3352,2746.17,0.51,0.462824,0,0,0,3,nuc,unnamed,nuc,unnamed,1,3,P 4nw 2abw,96,Cd,No,N/A,PACMAN-DDEC6,9.209183918,0.894369971,0.049836292,1.001413598,0.094133244,1.051920817,0.097268101,0.001575508,0.431140176,388,SI,10.1039/D1CC05316G,2022,2022/11/17,RSC,All Solvent Removed,FALSE,344.1,0.91669774,0.91,weak,
830,2022[Cd][crb]3[ASR]1,d1ce00310k2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1c(cccc1C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.fes.cat0;d1ce00310k2_2_ASR_pacman,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.fes.cat0;d1ce00310k2_2_ASR_pacman,4.68668,3.8035,4.68557,1.64853,282.919,1274.29,772.985,0,0,0,1135.41,0.5114,0.310215,0,0,0,3,crb,bct,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,17.21987625,0.635071976,0.011052517,0.709291762,0.024754989,0.751327365,0.027204028,0.001162554,0.29166984,128,SI,10.1039/D1CE00310K,2022,2022/3/30,RSC,All Solvent Removed,FALSE,370.5,0.94277525,0.587104072,superstrong_high_loading,
831,2022[Zn][rtl]3[ASR]1,d1ce00331c2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.rtl.cat0;d1ce00331c2_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl.cat0;d1ce00331c2_ASR_pacman,11.61707,9.67324,11.61707,0.537621,2742.37,2162.99,4023.26,0,0,0,10297.5,0.8122,1.51073,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,12.072536,0.789742323,0.030088906,0.865912626,0.049469996,0.927091465,0.060145609,0.001373491,0.380193475,340,SI,10.1039/D1CE00331C,2022,2022/4/17,RSC,All Solvent Removed,FALSE,398.6,0.5185913,0.43,weak,
832,2022[Co][nan]3[ASR]1,d1ce00545f2_ASR_pacman,-,F[Co].[Co].[O-]C(=O)c1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]S(=O)(=O)[O].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.ERROR.cat0;d1ce00545f2_ASR_pacman,unknown,8.18299,7.27755,8.16643,0.733345,2826.14,2149.19,2930.67,0,0,0,9428.39,0.717,0.977712,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab 3,198,Co,No,N/A,PACMAN-DDEC6,11.2543824,0.853186807,0.031494923,0.963169172,0.044943082,1.031639936,0.062834073,0.001784531,0.324746021,516,SI,10.1039/D1CE00545F,2022,2022/5/26,RSC,All Solvent Removed,TRUE,355.4,0.92296505,0.89,none,
833,2022[Ni][crb]3[ASR]1,d1ce00762a2_5_ASR_pacman,-,"[Ni].[O-]C(=O)c1cc(ccc1c1cc(nc(c1)c1ccncc1)c1ccncc1)C(=O)[O-] MOFid-v1.ERROR,unknown.cat0;d1ce00762a2_5_ASR_pacman","[C2Ni1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring2][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR,UNKNOWN.cat0;d1ce00762a2_5_ASR_pacman",6.2418,3.78915,6.23908,1.02529,440.209,1496.5,1459.59,0,0,0,1644.35,0.559,0.545211,0,0,0,3,crb,bct,unnamed,unnamed,1,3,-P 2ybc,14,Ni,Yes,Ni,PACMAN-DDEC6,10.319555,0.900458357,0.033401531,1.031691339,0.049136605,1.087682453,0.069262591,0.001872241,0.351326384,176,SI,10.1039/D1CE00762A,2022,2022/7/7,RSC,All Solvent Removed,FALSE,372.9,0.5759447,0.72,strong,
834,2022[Zn][nan]3[ASR]4,d1ce01074c2_ASR_pacman,-,CC1=NN=C[N]1.[O-]C(=O)c1sc2c(c1C)c(c(s2)C(=O)[O-])C.[Zn].[Zn][Zn] MOFid-v1.ERROR.cat0;d1ce01074c2_ASR_pacman,[Zn1_Type-1].[Zn2_Type-1].[C][C][=N][N][=C][NH0][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][N][=C][Branch1][Ring2][S][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C] MOFid-v2.ERROR.cat0;d1ce01074c2_ASR_pacman,10.63464,9.46333,10.63464,0.867138,958.366,1734.25,1999.97,0,0,0,3705.81,0.6706,0.773348,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,12.88229357,0.840844956,0.023713859,0.920459295,0.041753018,1.008662966,0.038701107,0.00167818,0.335959374,224,SI,10.1039/D1CE01074C,2022,2022/9/14,RSC,All Solvent Removed,TRUE,296.6,0.8854177,0.572909311,unknown,
835,2022[Eu][nan]3[ASR]1,d1ce01192h2_ASR_pacman,-,[Eu].[O-]C(=O)C1=C[C](NC=C1)c1cc(cc(c1)C(=O)O)C(=O)[O-].[O-]C(=O)C1=C[C](NC=C1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;d1ce01192h2_ASR_pacman,[C6Eu1H2O12_Type-1].[C6Eu1O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][CH0][Branch1][=Branch1][N][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][CH0][Branch1][=Branch1][N][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1ce01192h2_ASR_pacman,4.79775,3.32692,4.73886,1.45236,262.184,396.249,272.83,85.7216,129.554,89.2023,3084.68,0.4662,0.320994,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2a 2bc,52,Eu,No,N/A,PACMAN-DDEC6,12.47222241,0.800010216,0.021613118,0.89573046,0.047475547,0.943125394,0.05085697,0.001431152,0.378718899,464,SI,10.1039/D1CE01192H,2022,2022/9/28,RSC,All Solvent Removed,TRUE,362.5,0.9277804,0.65,none,
836,2022[Ni][kgd]2[ASR]2,d1ce01210j2_ASR_pacman,-,unknown,unknown,9.61011,3.8556,9.61011,0.815754,342.11,1777.11,2178.48,0,0,0,1215.12,0.6312,0.773762,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-R 3,148,Ni,No,N/A,PACMAN-DDEC6,8.519806126,0.947207989,0.058898048,1.049005966,0.110964303,1.121213639,0.109403927,0.001740056,0.43012276,111,SI,10.1039/D1CE01210J,2022,2022/11/11,RSC,All Solvent Removed,TRUE,370.6,0.4262092,0.87,weak,
837,2022[Eu][pts]3[ASR]1,d1ce01411k2_ASR_pacman,-,"[Eu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.pts,sur.cat0;d1ce01411k2_ASR_pacman",unknown,6.5852,5.36564,6.5852,1.12353,559.508,2279.84,2029.17,0,0,0,1603.54,0.6534,0.581558,0,0,0,3,pts,unnamed,sur,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,16.604956,0.648905579,0.013855369,0.728233264,0.024904955,0.767995469,0.031779647,0.001190899,0.298230158,100,SI,10.1039/D1CE01411K,2022,2022/11/29,RSC,All Solvent Removed,FALSE,435.2,0.29697758,0.71,none,
838,2022[Eu][cco]3[ASR]1,d1ce01503f2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc(c2c1nsn2)C(=O)[O-].[O-]C=O MOFid-v1.cco.cat0;d1ce01503f2_ASR_pacman,[C8Eu3O16_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][C][Ring1][=Branch1][=N][S][N][=Ring1][Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=O] MOFid-v2.cco.cat0;d1ce01503f2_ASR_pacman,5.5303,3.77942,5.5303,1.83907,234.168,933.142,507.399,0,0,0,1154.85,0.4602,0.250235,0,0,0,3,cco,unnamed,cco,unnamed,1,3,C 2c 2,20,Eu,No,N/A,PACMAN-DDEC6,18.52825813,0.618395165,0.008733307,0.679695881,0.017919776,0.729642913,0.018795725,0.001112477,0.286544205,150,SI,10.1039/D1CE01503F,2022,2022/12/21,RSC,All Solvent Removed,FALSE,388.2,0.7940426,0.83,none,
839,2022[Co][gra]3[ASR]1,d1dt00005e2_3_ASR_pacman,-,Cl[Co].[Co].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.ERROR.cat0;d1dt00005e2_3_ASR_pacman,unknown,5.16671,2.46687,5.15211,1.29727,0,0,0,290.224,575.403,443.548,2237.45,0.4436,0.341948,0,0,0,3,gra,unnamed,gra,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,10.59238785,0.888584766,0.027770059,1.004509161,0.057549352,1.055030031,0.069874273,0.001664453,0.400149557,372,SI,10.1039/D1DT00005E,2022,2022/3/5,RSC,All Solvent Removed,FALSE,315,0.68973994,0.748,weak,
840,2022[InCu][dia]3[ASR]1,d1dt00764e2_1_ASR_pacman,-,unknown,unknown,7.79568,4.2915,7.77506,1.17296,1989.34,1253.67,1068.81,1.60391,1.01078,0.861731,8762.38,0.5522,0.470775,0,0,0,3,dia,unnamed,dia,unnamed,4,3,I -4 2bw,122,"In,Cu",Yes,Cu,PACMAN-DDEC6,10.30209044,0.88485676,0.041056247,0.972824478,0.063422181,1.06820948,0.049446307,0.001833527,0.333562386,1088,SI,10.1039/D1DT00764E,2022,2022/4/21,RSC,All Solvent Removed,TRUE,303.8,0.9473007,0.807692308,strong,
841,2022[Cd][dia]3[ASR]1,d1dt00894c2_2_ASR_pacman,-,[Cd].[O-]C(=O)C1CCC(CC1)C(=O)[O-].c1ccc2c(c1)c(c1ccncc1)c1c(c2c2ccncc2)cccc1 MOFid-v1.dia.cat0;d1dt00894c2_2_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][=C][N][=C][C][=Ring1][=Branch1][=C][C][=Branch1][N][=C][Ring1][=N][C][C][=C][N][=C][C][=Ring1][=Branch1][C][=C][C][=C][Ring1][=N] MOFid-v2.dia.cat0;d1dt00894c2_2_ASR_pacman,4.12612,2.89726,4.00438,1.19099,0,0,0,94.9885,553.91,465.083,851.606,0.4966,0.416964,0,0,0,3,dia,unnamed,dia,unnamed,2,2,-P 2yc,13,Cd,Yes,Cd,PACMAN-DDEC6,9.461089846,0.898006577,0.04737129,0.986278887,0.084948151,1.053335686,0.092954603,0.001553291,0.435555169,130,SI,10.1039/D1DT00894C,2022,2022/5/19,RSC,All Solvent Removed,FALSE,338.2,0.13064873,0.840045455,strong,
842,2022[Cd][nan]2[ASR]2,d1dt00894c2_3_ASR_pacman,-,[Cd].[O-]C(=O)C1CCC(CC1)C(=O)[O-] MOFid-v1.ERROR.cat0;d1dt00894c2_3_ASR_pacman,unknown,6.38494,5.50156,6.38494,1.14817,365.821,667.48,581.343,0,0,0,2621.93,0.4784,0.416663,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,8.85390729,0.94255468,0.0461326,1.050559547,0.079733755,1.133104053,0.085751236,0.001905494,0.375149955,428,SI,10.1039/D1DT00894C,2022,2022/5/19,RSC,All Solvent Removed,FALSE,unknown,unknown,unknown,weak,
843,2022[Zn][kgd]2[ASR]1,d1dt01097b2_ASR_pacman,-,unknown,unknown,9.03512,4.93908,9.03512,0.763129,425.005,1817.62,2381.79,0,0,0,1485.73,0.6354,0.832625,0,0,0,2,kgd,unnamed,kgd,unnamed,1,2,-R 3,148,Zn,No,N/A,PACMAN-DDEC6,8.461005669,0.961913387,0.055128445,1.058163876,0.104693734,1.118585315,0.104156716,0.001566719,0.497869111,127,SI,10.1039/D1DT01097B,2022,2022/6/8,RSC,All Solvent Removed,TRUE,342.1,0.3156643,0.84,weak,
844,2022[Zn][nan]3[ASR]5,d1dt01685g2_1_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d1dt01685g2_1_ASR_pacman,[C6O12Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1dt01685g2_1_ASR_pacman,11.5324,10.59043,11.52767,0.884379,680.251,1790.13,2024.17,0,0,0,2682.04,0.7058,0.798074,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,15.810535,0.751589392,0.014089442,0.836780001,0.019109198,0.893815934,0.020826039,0.001422265,0.329602212,128,SI,10.1039/D1DT01685G,2022,2022/6/23,RSC,All Solvent Removed,FALSE,340.7,0.72013205,0.7525,weak,
845,2022[Zn][nan]3[ASR]6,d1dt01685g2_2_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d1dt01685g2_2_ASR_pacman,[C6O12Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1dt01685g2_2_ASR_pacman,11.52485,10.58653,11.52485,0.88444,682.737,1796.8,2031.56,0,0,0,2679.58,0.7052,0.797341,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,15.810535,0.748481108,0.01487383,0.83605482,0.020065117,0.892560178,0.022124338,0.001440791,0.321421955,128,SI,10.1039/D1DT01685G,2022,2022/6/23,RSC,All Solvent Removed,FALSE,340.7,0.7195293,0.7525,weak,
846,2022[Zn][nan]3[ASR]7,d1dt01685g2_3_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d1dt01685g2_3_ASR_pacman,[C6O12Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1dt01685g2_3_ASR_pacman,11.5279,10.58511,11.5279,0.885418,681.385,1795.22,2027.54,0,0,0,2677.38,0.7054,0.796686,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,15.810535,0.750226352,0.014779049,0.835074997,0.020464614,0.891904348,0.022341366,0.00141678,0.329862243,128,SI,10.1039/D1DT01685G,2022,2022/6/23,RSC,All Solvent Removed,FALSE,340.7,0.7198714,0.7525,weak,
847,2022[Y][acs]3[ASR]1,d1dt01953h2_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)N)[O].[Y][OH]1[Y]2[OH]([Y]1[OH]2[Y])[Y] MOFid-v1.ERROR.cat0;d1dt01953h2_ASR_pacman,[C6H3O15Y5_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][OH0] MOFid-v2.ERROR.cat0;d1dt01953h2_ASR_pacman,6.59775,3.98138,5.09316,1.40692,442.251,1336.06,949.633,0,0,0,1686.17,0.5094,0.362067,0,0,0,3,acs,unnamed,acs,unnamed,1,3,-P 6c,176,Y,Yes,Y,PACMAN-DDEC6,13.10531093,0.773861937,0.022035902,0.887554441,0.036338102,0.922433364,0.046548264,0.001485714,0.34128325,214,SI,10.1039/D1DT01953H,2022,2022/8/18,RSC,All Solvent Removed,FALSE,344.2,0.9832299,0.711538462,none,
848,2022[Eu][nan]3[ASR]2,d1dt02312h2_ASR_pacman,-,unknown,[Eu2_Type-1].[O][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch2][Ring1][O][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1dt02312h2_ASR_pacman,9.02884,8.45462,9.02884,1.1317,528.788,1341.9,1185.74,0,0,0,2283.19,0.5794,0.511974,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 -2d,43,Eu,No,N/A,PACMAN-DDEC6,12.20724909,0.781495694,0.022892972,0.875841293,0.048257635,0.925268633,0.057362066,0.001437729,0.357663254,220,SI,10.1039/D1DT02312H,2022,2022/10/2,RSC,All Solvent Removed,FALSE,417.4,0.751857,0.94,none,
849,2022[Zn][pcu]3[ASR]1,d1dt02555d2_ASR_pacman,-,unknown,[C4O8Zn2_Type-1].[O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Ring1][=C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;d1dt02555d2_ASR_pacman,5.58976,4.00608,4.94187,0.967358,702.622,2031.21,2099.75,0,0,0,2081.71,0.6018,0.622107,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.49517625,0.88699492,0.030247458,0.987718115,0.057942554,1.05598982,0.071208602,0.001689949,0.385418803,192,SI,10.1039/D1DT02555D,2022,2022/8/31,RSC,All Solvent Removed,FALSE,322.8,0.80307055,0.433840313,weak,
850,2022[Zn][pcu]3[ASR]2,d1dt03213e2_ASR_pacman,-,[O-]C(=O)c1cccc(c1)C(=O)[O-].[Zn][OH]1[Zn][OH]([Zn]21[OH]([Zn])[Zn][OH]2[Zn])[Zn] MOFid-v1.ERROR.cat0;d1dt03213e2_ASR_pacman,[C12H4O28Zn7_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d1dt03213e2_ASR_pacman,7.34133,6.06347,7.27707,1.16393,379.002,1758.78,1511.07,0,0,0,1279.15,0.5936,0.509996,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,13.6070191,0.782840926,0.01722467,0.882609135,0.030161764,0.924669427,0.0408954,0.001418285,0.366973411,111,SI,10.1039/D1DT03213E,2022,2022/10/27,RSC,All Solvent Removed,FALSE,348.7,0.72385365,0.342404762,weak,
851,2023[Eu][nan]2[ASR]1,d1dt03995d2_ASR_pacman,-,[Eu][Eu].[O-]C(=O)c1cc(c2ccc(cc2)c2ccccc2C(=O)O)c(cc1c1ccc(cc1)c1ccccc1C(=O)O)C(=O)[O-].[O-]C(=O)c1cc(c2ccc(cc2)c2ccccc2C(=O)[O-])c(cc1c1ccc(cc1)c1ccccc1C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;d1dt03995d2_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1dt03995d2_ASR_pacman,5.80341,4.80398,5.80341,1.20574,261.359,1341.21,1112.35,0,0,0,1042.54,0.535,0.44371,0,0,0,2,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,11.41086871,0.793463274,0.028153143,0.88827079,0.056090227,0.938673013,0.065609816,0.001452097,0.365234938,124,SI,10.1039/D1DT03995D,2023,2023/1/18,RSC,All Solvent Removed,FALSE,415.5,0.88545346,0.85,none,
852,2021[Zn][nan]3[ASR]13,d1dt04007c2_3_ASR_pacman,-,C1=NC=C2C(=CN=N2)[CH]1.N1=C[C]2C(=CN=N2)C=C1.[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.mab.cat0;d1dt04007c2_3_ASR_pacman,[C8H2N4O4Zn2_Type-1].[C][=N][C][=C][C][=Branch1][=Branch1][=C][N][=N][Ring1][Branch1][CH1][Ring1][=Branch2].[N][=C][CH0][C][=Branch1][=Branch1][=C][N][=N][Ring1][Branch1][C][=C][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.mab.cat0;d1dt04007c2_3_ASR_pacman,4.81973,4.21277,4.81973,1.26612,183.498,1152.05,909.906,0,0,0,800.219,0.5024,0.396803,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,11.24450074,0.834002787,0.028416701,0.951048285,0.046435099,1.004495126,0.059832696,0.001704923,0.333125548,108,SI,10.1039/D1DT04007C,2021,2021/12/15,RSC,All Solvent Removed,FALSE,341.2,0.9082837,0.81,weak,
853,2023[Cd][pts]3[ASR]1,d1dt04077d2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1ccc(cc1)C(=O)[O-] MOFid-v1.dmd.cat0;d1dt04077d2_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dmd.cat0;d1dt04077d2_ASR_pacman,5.73766,4.86718,5.72673,1.32351,119.61,901.34,681.025,0,0,0,627.684,0.473,0.357384,0,0,0,3,pts-x,unnamed,sqc958,unnamed,1,2,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,10.79255592,0.829094511,0.033519556,0.927712673,0.067588283,0.97738673,0.076604824,0.001482922,0.392375205,98,SI,10.1039/D1DT04077D,2023,2023/1/6,RSC,All Solvent Removed,FALSE,423.5,0.93083787,0.477104072,strong,
854,2023[U][nan]2[ASR]1,d1dt04099e2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C1=C(SC(=C2SC(=C(S2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])S1)c1ccc(cc1)C(=O)[O-].[U] MOFid-v1.ERROR.cat0;d1dt04099e2_ASR_pacman,[C3O6U1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Branch1][Ring2][S][C][=Branch2][Ring2][O][=C][S][C][=Branch2][Ring1][=Branch1][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][S][Ring2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d1dt04099e2_ASR_pacman,8.58792,5.46645,8.58331,1.06552,1926.14,2063.77,1936.87,0,0,0,6075.86,0.651,0.610971,0,0,0,2,unstable,unnamed,unstable,unnamed,2,2,-C 2yc,15,U,Yes,U,PACMAN-DDEC6,15.75975663,0.638331774,0.015989211,0.713012595,0.033424469,0.748700615,0.044566772,0.001103688,0.31372405,380,SI,10.1039/D1DT04099E,2023,2023/9/30,RSC,All Solvent Removed,FALSE,401.6,0.27371663,0.64,none,
855,2022[Cu][bnn]3[ASR]1,d1dt04129k2_1_ASR_pacman,-,[Cu].[O]S(=O)(=O)[O].c1nc2c([nH]1)cc1c(c2)[nH]cn1 MOFid-v1.bnn.cat0;d1dt04129k2_1_ASR_pacman,[Cu1_Type-1].[OH0][S][=Branch1][C][=O][=Branch1][C][=O][OH0].[C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][NH1][C][=N][Ring1][=Branch1] MOFid-v2.bnn.cat0;d1dt04129k2_1_ASR_pacman,4.5322,3.65669,4.52968,1.71659,157.196,511.845,298.176,0,0,0,1146.16,0.3732,0.217408,0,0,0,3,bnn,unnamed,bnn,unnamed,1,2,-P 2n 2ab,60,Cu,Yes,Cu,PACMAN-DDEC6,12.02571697,0.838548291,0.025005233,0.940627514,0.042138438,1.000580007,0.051243895,0.001620317,0.35947426,264,SI,10.1039/D1DT04129K,2022,2022/12/28,RSC,All Solvent Removed,TRUE,358.1,0.7720894,0.76,none,
856,2023[Co][nan]3[ASR]1,d1dt04149e2_2_ASR_pacman,-,unknown,[C4Co3O9_Type-1].[N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;d1dt04149e2_2_ASR_pacman,6.95089,5.18804,6.95089,1.03506,466.045,1755.57,1696.1,0,0,0,1580.59,0.5954,0.575232,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,11.3336187,0.852442372,0.027144326,0.953120167,0.053406895,1.008669084,0.063183152,0.001562267,0.391283717,146,SI,10.1039/D1DT04149E,2023,2023/2/24,RSC,All Solvent Removed,FALSE,302.7,0.9252528,0.78,strong,
857,2023[Zn][nan]3[ASR]10,d1dt04149e2_3_ASR_pacman,-,[O-]C(=O)c1ccc(c2c1cccc2)C(=O)[O-].[Zn].[Zn]I.c1ncn(c1)c1cc(cc(c1)n1cncc1)n1cncc1 MOFid-v1.ERROR.cat0;d1dt04149e2_3_ASR_pacman,[C1I1O2Zn1_Type-1].[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;d1dt04149e2_3_ASR_pacman,5.82322,4.02198,5.80498,1.40463,275.022,812.884,578.719,0,0,0,1681.49,0.497,0.353831,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,12.44250591,0.750714935,0.024343399,0.837630569,0.051711089,0.885527233,0.061424117,0.001348123,0.352781205,230,SI,10.1039/D1DT04149E,2023,2023/2/24,RSC,All Solvent Removed,FALSE,378.4,0.66255486,0.582,strong,
858,2021[Fe][bpq]3[ASR]1,d1mh01663f2_2_ASR_pacman,-,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH] MOFid-v1.rna.cat0;d1mh01663f2_2_ASR_pacman,[Fe1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.rna.cat0;d1mh01663f2_2_ASR_pacman,5.68425,5.34475,5.68425,1.17541,94.2801,1408.13,1197.98,0,0,0,383.647,0.573,0.487488,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-P 1,2,Fe,No,N/A,PACMAN-DDEC6,12.47196316,0.841425822,0.025038141,0.941989955,0.036707307,1.004862467,0.046394042,0.001634366,0.357397824,38,SI,10.1039/D1MH01663F,2021,2021/10/13,RSC,All Solvent Removed,TRUE,396.7,0.5445995,0.47,weak,
859,2021[Fe][acs]3[ASR]1,d1mh01663f2_5_ASR_pacman,-,[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.acs.cat0;d1mh01663f2_5_ASR_pacman,[C6Fe3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.acs.cat0;d1mh01663f2_5_ASR_pacman,8.56951,7.78371,8.56951,0.758444,684.127,2311.59,3047.8,0,0,0,2136.21,0.7218,0.951685,0,0,0,3,acs,unnamed,acs,unnamed,1,3,-P 6c 2c,194,Fe,Yes,Fe,PACMAN-DDEC6,12.99767846,0.825521008,0.030175332,0.882040565,0.045771677,0.961261981,0.061808264,0.00135741,0.414514444,104,SI,10.1039/D1MH01663F,2021,2021/10/13,RSC,All Solvent Removed,FALSE,314.4,0.6942153,0.298,weak,
860,2022[Zr][lvt]3[ASR]1,d1nj02343h2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.lvt,lim.cat1;d1nj02343h2_ASR_pacman",unknown,9.83426,7.01492,9.83426,1.0669,1497.44,1663.62,1559.29,227.398,252.632,236.79,6001.95,0.6668,0.624987,3.60045,0.0004,0.000374917,3,lvt,unnamed,lim,unnamed,2,1,-I 2 2c,72,Zr,No,N/A,PACMAN-DDEC6,17.21209,0.722098882,0.014152034,0.779105358,0.016512443,0.829446657,0.019978262,0.001073478,0.401166417,336,SI,10.1039/D1NJ02343H,2022,2022/6/15,RSC,All Solvent Removed,FALSE,380.1,0.8446249,0.92,none,
861,2022[Cd][pcu]3[ASR]1,d1nj04413c2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].c1ccc2c(c1)c(C=Cc1ccncc1)c1c(c2C=Cc2ccncc2)cccc1 MOFid-v1.pcu.cat1;d1nj04413c2_ASR_pacman,[C4Cd2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][=C][=C][Ring1][#C][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][#C] MOFid-v2.pcu.cat1;d1nj04413c2_ASR_pacman,7.47477,4.74925,7.46751,1.02792,701.793,1473.43,1433.41,0,0,0,2695.86,0.566,0.550627,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2yc,13,Cd,No,N/A,PACMAN-DDEC6,9.572645714,0.883276147,0.042592058,0.97758156,0.083053332,1.034066372,0.090476568,0.001507902,0.437208906,308,SI,10.1039/D1NJ04413C,2022,2022/10/14,RSC,All Solvent Removed,FALSE,441.6,0.15936127,0.68,weak,
862,2022[Co][hxl]2[ASR]1,d1nj04480j2_1_ASR_pacman,-,Cl[Co].[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.hxl.cat0;d1nj04480j2_1_ASR_pacman,[C6Cl2Co3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hxl.cat0;d1nj04480j2_1_ASR_pacman,5.65303,3.7818,5.64071,1.18193,304.686,1465.22,1239.68,0,0,0,1145.78,0.551,0.466185,0,0,0,2,hxl,unnamed,hxl,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,13.96321632,0.792787118,0.016509458,0.884455421,0.037445522,0.914693408,0.044097601,0.001219063,0.437306633,106,SI,10.1039/D1NJ04480J,2022,2022/10/21,RSC,All Solvent Removed,FALSE,286.7,0.33973938,0.32,strong,
863,2022[Co][bcg]3[ASR]1,d1nj04480j2_2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.bcg.cat0;d1nj04480j2_2_ASR_pacman,[C8Co3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.bcg.cat0;d1nj04480j2_2_ASR_pacman,6.83432,5.57074,6.68119,0.944958,646.624,2208.02,2336.64,0,0,0,1848.48,0.6312,0.667966,0,0,0,3,bcg,unnamed,bcg,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,12.43670784,0.842335915,0.020444222,0.936126576,0.039198648,0.99040526,0.051646243,0.001480693,0.404713206,134,SI,10.1039/D1NJ04480J,2022,2022/10/21,RSC,All Solvent Removed,FALSE,299.3,0.7263682,0.201,weak,
864,2022[Zn][sql]2[ASR]6,d1nj04628d2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat1;d1nj04628d2_ASR_pacman,unknown,4.91763,3.38676,4.91763,1.31432,91.0798,569.473,433.284,0,0,0,681.652,0.4262,0.324275,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,9.737389846,0.910400655,0.036700217,1.021027059,0.071392107,1.078546741,0.083271839,0.001681461,0.414813518,130,SI,10.1039/D1NJ04628D,2022,2022/11/12,RSC,All Solvent Removed,TRUE,408.4,0.59145176,0.544642857,strong,
865,2023[Co][nan]3[ASR]2,d1nj06042b1_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)CN(Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-].c1ncn(c1)Cc1ccc(cc1)Cn1cncc1 MOFid-v1.unknown.cat0;d1nj06042b1_ASR_pacman,[C6Co3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;d1nj06042b1_ASR_pacman,5.58733,4.22769,5.57213,1.11602,451.385,1215.5,1089.14,0,0,0,1911.75,0.5148,0.461283,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,9.382654023,0.941929348,0.044210641,1.029903428,0.082288705,1.092103387,0.088972647,0.00150174,0.495702916,266,SI,10.1039/D1NJ06042B,2023,2023/2/5,RSC,All Solvent Removed,TRUE,279.1,0.74831986,0.71,weak,
866,2022[Eu][hcb]2[ASR]1,d1py01492g2_1_ASR_pacman,-,O=C(c1ccccc1OCC(c1ccncc1)(COc1ccccc1C(=O)NCc1ccccc1)COc1ccccc1C(=O)NCc1ccccc1)NCc1ccccc1.[Eu] MOFid-v1.ERROR.cat1;d1py01492g2_1_ASR_pacman,unknown,5.17376,4.04652,5.17376,1.32329,410.766,712.277,538.261,0,0,0,2578.97,0.4472,0.337944,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Eu,No,N/A,PACMAN-DDEC6,9.574273667,0.927129927,0.040316507,1.023089845,0.081122316,1.078487003,0.090609548,0.001513571,0.479819156,480,SI,10.1039/D1PY01492G,2022,2022/12/27,RSC,All Solvent Removed,TRUE,326.3,0.42928874,0.6,weak,
867,2022[Gd][hcb]2[ASR]1,d1py01492g2_2_ASR_pacman,-,O=C(c1ccccc1OCC(c1ccncc1)(COc1ccccc1C(=O)NCc1ccccc1)COc1ccccc1C(=O)NCc1ccccc1)NCc1ccccc1.[Gd] MOFid-v1.ERROR.cat1;d1py01492g2_2_ASR_pacman,unknown,4.94344,3.73164,4.9398,1.36943,358.316,640.045,467.381,0,0,0,2419.58,0.4322,0.315606,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Gd,No,N/A,PACMAN-DDEC6,9.618323667,0.928227132,0.037527846,1.050479802,0.055595636,1.117328932,0.066965304,0.001891018,0.370155656,480,SI,10.1039/D1PY01492G,2022,2022/12/27,RSC,All Solvent Removed,TRUE,345.5,0.48176518,0.57,weak,
868,2022[Tb][hcb]2[ASR]1,d1py01492g2_3_ASR_pacman,-,O=C(c1ccccc1OCC(c1ccncc1)(COc1ccccc1C(=O)NCc1ccccc1)COc1ccccc1C(=O)NCc1ccccc1)NCc1ccccc1.[Tb] MOFid-v1.ERROR.cat1;d1py01492g2_3_ASR_pacman,unknown,5.17025,3.9894,5.15956,1.33951,405.307,707.139,527.909,0,0,0,2563.19,0.4472,0.333854,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 2ybc,14,Tb,No,N/A,PACMAN-DDEC6,9.632284917,0.921238832,0.040674382,1.019623961,0.077534434,1.074431225,0.087826568,0.001531924,0.468924634,480,SI,10.1039/D1PY01492G,2022,2022/12/27,RSC,All Solvent Removed,TRUE,336.1,0.44899595,0.52,weak,
869,2022[Cu][sql]2[ASR]1,d1qi00349f3_1_ASR_pacman,-,unknown,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_1_ASR_pacman,10.91406,7.38918,10.63182,0.660714,3484.82,2505.63,3792.3,0,0,0,10678.5,0.7678,1.16208,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.727299445,0.010922884,0.78273805,0.018633581,0.866612879,0.021174096,0.001393134,0.304619771,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,290.8,0.6924562,0.41,weak,
870,2022[Cu][sql]2[ASR]2,d1qi00349f3_3_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;d1qi00349f3_3_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_3_ASR_pacman,10.10848,6.63048,9.68204,0.734411,3271.68,2614.77,3560.36,0,0,0,9469.32,0.7568,1.03049,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.724382855,0.009264067,0.779431956,0.017465963,0.864239715,0.019767513,0.001398569,0.299852496,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,288.7,0.57636166,0.505,weak,
871,2022[Cu][sql]2[ASR]3,d1qi00349f3_4_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;d1qi00349f3_4_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_4_ASR_pacman,9.89179,6.29899,9.79652,0.76565,3108.4,2589.94,3382.67,0,0,0,8950.95,0.7458,0.974075,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.724731717,0.00848116,0.781889401,0.017498306,0.863099826,0.0216991,0.001383681,0.305618602,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,289,0.531313,0.595,weak,
872,2022[Cu][sql]2[ASR]4,d1qi00349f3_5_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;d1qi00349f3_5_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_5_ASR_pacman,10.0902,6.63297,10.0902,0.73336,3288.6,2624.53,3578.77,0,0,0,9462.84,0.7552,1.02978,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.726662316,0.008608875,0.778187266,0.017264793,0.862537491,0.021288153,0.001358752,0.313565907,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,288.3,0.5844887,0.505,none,
873,2022[Cu][sql]2[ASR]5,d1qi00349f3_6_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;d1qi00349f3_6_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_6_ASR_pacman,10.21966,6.55562,10.20043,0.728598,3302.44,2618.46,3593.83,0,0,0,9570.1,0.7588,1.04145,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.725201721,0.008624724,0.777870563,0.018301561,0.862857993,0.021111322,0.001376563,0.306846473,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,288.7,0.60344094,0.505,weak,
874,2022[Cu][sql]2[ASR]6,d1qi00349f3_7_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;d1qi00349f3_7_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_7_ASR_pacman,9.88617,6.47167,9.77261,0.753447,3160.28,2591.2,3439.13,0,0,0,9122.75,0.748,0.992771,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.724583931,0.008384005,0.780487855,0.018262118,0.86308453,0.021463916,0.001385006,0.304633346,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,289,0.5474463,0.585,weak,
875,2022[Cu][sql]2[ASR]7,d1qi00349f3_9_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;d1qi00349f3_9_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d1qi00349f3_9_ASR_pacman,10.1444,6.43902,9.97327,0.734269,3287.62,2627,3577.71,0,0,0,9438.61,0.7542,1.02714,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2n,62,Cu,Yes,Cu,PACMAN-DDEC6,17.293074,0.723545344,0.008769914,0.776435511,0.017568889,0.861749101,0.021258257,0.001382038,0.303530171,320,SI,10.1039/D1QI00349F,2022,2022/5/12,RSC,All Solvent Removed,FALSE,289.3,0.5892761,0.505,unknown,
876,2022[Cd][fes]2[ASR]1,d1qi00683e2_1_ASR_pacman,-,unknown,unknown,4.66251,2.86946,4.66251,1.52682,0,0,0,71.6732,370.891,242.917,839.074,0.4342,0.284381,0,0,0,2,fes,unnamed,fes,unnamed,1,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,12.17004575,0.782882419,0.022354644,0.874885932,0.04992059,0.929038448,0.060392914,0.00146156,0.350722834,146,SI,10.1039/D1QI00683E,2022,2022/7/23,RSC,All Solvent Removed,FALSE,362.1,0.26391566,0.403,strong,
877,2022[Cd][nan]3[ASR]1,d1qi00683e2_3_ASR_pacman,-,unknown,unknown,6.41087,5.7038,6.40946,1.2959,561.315,1232.68,951.212,0,0,0,2362.42,0.5188,0.400339,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,12.17004575,0.778366616,0.024139959,0.868570304,0.049223357,0.919051998,0.058122117,0.001406854,0.362930805,292,SI,10.1039/D1QI00683E,2022,2022/7/23,RSC,All Solvent Removed,FALSE,342.4,0.19313276,0.668313955,strong,
878,2022[Zn][pcu]3[ASR]3,d1qi01206a2_ASR_pacman,-,O=C1N(c2ccncc2)C(=O)c2c3c1cc(Cl)c1c3c(c(c2)Cl)c2c3c1c(Cl)cc1c3c(cc2Cl)C(=O)N(C1=O)c1ccncc1.[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[Zn][Zn] MOFid-v1.pcu.cat1;d1qi01206a2_ASR_pacman,[C4O8Zn2_Type-1].[O][=C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Ring1][=N][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][O][Cl][C][=C][C][Ring1][=Branch2][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Branch1][=Branch1][C][=C][Ring1][O][Cl][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][#Branch2][=O][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;d1qi01206a2_ASR_pacman,8.32876,5.6982,8.19477,0.925547,863.57,1938.62,2094.56,0,0,0,2830.43,0.6354,0.686513,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,11.936565,0.833102464,0.01976754,0.945578833,0.030751604,1.016668059,0.045667141,0.001835656,0.289303538,208,SI,10.1039/D1QI01206A,2022,2022/11/5,RSC,All Solvent Removed,TRUE,349.1,0.8354281,0.52050698,weak,
879,2022[Cd][sql]2[ASR]1,d1qm00251a2_3_ASR_pacman,-,O=C1C(=O)C(=C1Nc1cccc(c1)C(=O)[O-])Nc1cccc(c1)C(=O)[O-].[Cd].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat0;d1qm00251a2_3_ASR_pacman,[C4Cd2O8_Type-1].[O][=C][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring2][=C][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;d1qm00251a2_3_ASR_pacman,5.68434,2.48875,5.68434,1.33111,0,0,0,75.9041,491.574,369.297,713.684,0.4622,0.34723,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,10.85748632,0.848904647,0.031055976,0.94753751,0.062069702,0.999039001,0.07111492,0.001501344,0.406356816,114,SI,10.1039/D1QM00251A,2022,2022/3/25,RSC,All Solvent Removed,FALSE,334,0.62673795,0.713008812,strong,
880,2021[Zn][nan]3[ASR]14,d1ra00726b2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn].[Zn][Zn].n1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;d1ra00726b2_3_ASR_pacman,[C2O4Zn1_Type-1].[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d1ra00726b2_3_ASR_pacman,4.58326,2.85966,4.42279,1.29542,0,0,0,170.216,305.181,235.584,2449.66,0.4392,0.33904,0,0,0,3,unnamed,unnamed,unnamed,unnamed,5,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,9.458715652,0.922242414,0.041891523,1.024153869,0.080493113,1.081372304,0.092398497,0.001591299,0.452301581,460,SI,10.1039/D1RA00726B,2021,2021/5/7,RSC,All Solvent Removed,TRUE,339.6,0.8486161,0.488,weak,
881,2021[Eu][pts]3[ASR]1,d1ra01528a2_ASR_pacman,-,"[Eu].[O-]C(=O)CN(C1=NC(=[N]=C([N]1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] MOFid-v1.pts,unknown.cat0;d1ra01528a2_ASR_pacman",unknown,4.67431,4.24797,4.67431,1.62579,357.961,1134.62,697.889,3.78468,11.9962,7.3787,1649.38,0.5228,0.321567,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Eu,Yes,Eu,PACMAN-DDEC6,16.43014426,0.650710117,0.018019082,0.72225936,0.015707148,0.786234179,0.014301009,0.001355241,0.245400334,188,SI,10.1039/D1RA01528A,2021,2021/3/22,RSC,All Solvent Removed,FALSE,403.9,0.9371227,0.94,none,
882,2021[Ce][flu]3[ASR]1,d1ra04824d2_ASR_pacman,-,"[Ce].[O-]C(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown,ERROR.cat0;d1ra04824d2_ASR_pacman",unknown,8.48415,4.23162,8.45452,0.896589,466.172,1989.58,2219.06,0,0,0,1530.49,0.6532,0.728539,0,0,0,3,flu,unnamed,flu,unnamed,1,3,-P 1,2,Ce,No,N/A,PACMAN-DDEC6,11.71386185,0.789752465,0.032175759,0.879691144,0.049176738,0.937983149,0.061178837,0.001482307,0.350334861,108,SI,10.1039/D1RA04824D,2021,2021/9/17,RSC,All Solvent Removed,TRUE,464,0.19027749,0.847692308,weak,
883,2022[Tb][umc]3[ASR]1,d1ra08088a2_ASR_pacman,-,unknown,[C6O12Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d1ra08088a2_ASR_pacman,7.35844,4.57036,7.21783,1.20491,489.429,2425.51,2013.03,0,0,0,1317.65,0.653,0.54195,0,0,0,3,umc,unnamed,unnamed,unnamed,1,2,-C 2yc,15,Tb,Yes,Tb,PACMAN-DDEC6,19.26536158,0.576044058,0.011588337,0.642755039,0.020259756,0.685126176,0.023793284,0.001090821,0.252854339,76,SI,10.1039/D1RA08088A,2022,2022/2/1,RSC,All Solvent Removed,FALSE,447.8,0.13017607,0.758888889,none,
884,2021[Co][nan]3[ASR]5,d1sc00205h2_1_ASR_pacman,-,[Co].[O-]C(=O)c1ccnc(c1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;d1sc00205h2_1_ASR_pacman,[Co1_Type-1].[Co2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;d1sc00205h2_1_ASR_pacman,3.7377,3.51969,3.73502,1.8299,29.6123,301.582,164.809,0,0,0,392.76,0.4,0.218592,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,14.62217041,0.77886499,0.016377588,0.856911257,0.032411165,0.910750204,0.037576494,0.001318852,0.387243898,74,SI,10.1039/D1SC00205H,2021,2021/3/12,RSC,All Solvent Removed,TRUE,400.9,0.9255205,0.793333333,weak,
885,2021[Co][nan]3[ASR]6,d1sc00205h2_2_ASR_pacman,-,[Co].[O-]C(=O)c1ccnc(c1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;d1sc00205h2_2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;d1sc00205h2_2_ASR_pacman,5.22943,4.83593,5.22943,1.59196,109.599,971.059,609.978,0,0,0,531.823,0.4712,0.295988,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,14.62217041,0.782148729,0.015577341,0.8630586,0.027533085,0.925794349,0.031621364,0.001436456,0.354240893,74,SI,10.1039/D1SC00205H,2021,2021/3/12,RSC,All Solvent Removed,TRUE,412.9,0.8921198,0.793333333,weak,
886,2021[CuMn][tfz]3[ASR]1,d1sc04712d2_2_ASR_pacman,-,unknown,unknown,6.01017,3.68771,5.69247,1.09022,451.251,930.934,853.893,57.0073,117.606,107.874,2530.28,0.522,0.478801,0,0,0,3,tfz-d,unnamed,unnamed,unnamed,1,3,-P 1,2,"Cu,Mn",Yes,Cu,PACMAN-DDEC6,9.360075735,0.954910798,0.043174042,1.038797684,0.086894493,1.098219086,0.092277048,0.001433083,0.529063519,340,SI,10.1039/D1SC04712D,2021,2021/10/14,RSC,All Solvent Removed,TRUE,361.7,0.7742091,0.703888889,strong,
887,2021[CuMn][tfz]3[ASR]2,d1sc04712d2_4_ASR_pacman,-,unknown,unknown,7.34353,5.39916,7.34353,0.986844,814.522,1521.03,1541.31,0,0,0,3048.11,0.5692,0.576788,0,0,0,3,tfz-d,unnamed,unnamed,unnamed,1,3,-P 2yb,11,"Cu,Mn",Yes,Cu,PACMAN-DDEC6,9.360075735,0.962788721,0.043487233,1.067610208,0.069690718,1.174824369,0.063297688,0.002120356,0.326283,340,SI,10.1039/D1SC04712D,2021,2021/10/14,RSC,All Solvent Removed,FALSE,345.2,0.68235147,0.703888889,weak,
888,2022[Eu][hcb]2[ASR]2,d1ta00062d2_1_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(NCc2c3ccccc3cc3c2cccc3)cc(c1)C(=O)[O-] MOFid-v1.hcb.cat0;d1ta00062d2_1_ASR_pacman,[C6Eu2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat0;d1ta00062d2_1_ASR_pacman,5.5734,3.54569,5.56883,1.15355,575.8,1416.38,1227.84,0,0,0,2259.5,0.5558,0.481815,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,-P 1,2,Eu,Yes,Eu,PACMAN-DDEC6,10.77890458,0.819703141,0.031625785,0.907891476,0.066917641,0.956525643,0.075182586,0.001368225,0.415827994,262,SI,10.1039/D1TA00062D,2022,2022/5/20,RSC,All Solvent Removed,FALSE,355.1,0.86535,0.9,none,
889,2021[Al][nan]3[ASR]23,d1ta00687h2_ASR_pacman,-,[Al].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH] MOFid-v1.unknown.cat0;d1ta00687h2_ASR_pacman,[Al1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;d1ta00687h2_ASR_pacman,7.02998,6.83304,7.02998,1.04921,210.576,1606.16,1530.82,0,0,0,759.884,0.5796,0.552414,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,Al,No,N/A,PACMAN-DDEC6,11.5053277,0.919159162,0.023152328,1.03622501,0.040598128,1.096281633,0.04294266,0.001771225,0.397293286,72,SI,10.1039/D1TA00687H,2021,2021/2/15,RSC,All Solvent Removed,TRUE,369.6,0.5046145,0.74,weak,
890,2022[Mg][nan]3[ASR]1,d1ta05138e2_ASR_pacman,-,[Mg].[O-]C(=O)c1ccc(cc1)NC1=NC(=[N]=C([N]1)Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-].[O-]C=O MOFid-v1.unknown.cat0;d1ta05138e2_ASR_pacman,unknown,11.09168,5.45555,11.09168,0.711622,2090.56,2064.74,2901.45,0,0,0,6953.9,0.6868,0.965119,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Mg,Yes,Mg,PACMAN-DDEC6,9.951903119,0.932858544,0.03078784,1.055400451,0.061161677,1.130279415,0.070968209,0.001974209,0.348539747,436,SI,10.1039/D1TA05138E,2022,2022/9/20,RSC,All Solvent Removed,FALSE,389.3,0.7653122,0.28,weak,
891,2022[Ni][nan]3[ASR]1,d1ta05720k2_ASR_pacman,-,F[Ni].[O-]C(=O)c1ccc(cc1)C1=NN=N[N]1.n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;d1ta05720k2_ASR_pacman,[Ni1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d1ta05720k2_ASR_pacman,6.8055,6.19081,6.8055,1.1092,281.673,1434.28,1293.08,0,0,0,1095.44,0.5578,0.502886,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2c -2,26,Ni,No,N/A,PACMAN-DDEC6,10.57894204,0.872087286,0.036311692,0.973840275,0.068257286,1.021365294,0.074855149,0.00149278,0.433291258,124,SI,10.1039/D1TA05720K,2022,2022/10/28,RSC,All Solvent Removed,FALSE,314.7,0.9572638,0.690205128,unknown,
892,2023[In][neb]3[ASR]1,d1ta10569h2_1_ASR_pacman,-,"[In].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.neb,tfl.cat1;d1ta10569h2_1_ASR_pacman","[C4In1O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.neb,tfl.cat1;d1ta10569h2_1_ASR_pacman",8.37885,6.95387,8.37885,0.714631,1629.36,2260.64,3163.37,0,0,0,4964.52,0.6888,0.963854,0,0,0,3,neb,unnamed,tfl,unnamed,2,3,-C 2yc,15,In,No,N/A,PACMAN-DDEC6,10.3392688,0.85663439,0.040117748,0.950552713,0.068208955,1.007684938,0.077117592,0.001510505,0.409613758,300,SI,10.1039/D1TA10569H,2023,2023/4/5,RSC,All Solvent Removed,TRUE,369.7,0.7360531,0.56,strong,
893,2023[In][neb]3[ASR]2,d1ta10569h2_2_ASR_pacman,-,"[In].[O-]C(=O)c1ccc(cc1)N(c1c(C)cc(cc1C)c1cc(C)c(c(c1)C)N(c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.neb,tfl.cat1;d1ta10569h2_2_ASR_pacman","[C4H1In1O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Branch1][S][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.neb,tfl.cat1;d1ta10569h2_2_ASR_pacman",9.69778,7.05768,9.69778,0.737421,1405.91,1874.74,2542.29,0,0,0,5129.46,0.684,0.927557,0,0,0,3,neb,unnamed,tfl,unnamed,2,3,-C 2yc,15,In,No,N/A,PACMAN-DDEC6,9.4609025,0.914544035,0.044432855,1.005335334,0.087535866,1.060077928,0.091260789,0.001455339,0.483950471,352,SI,10.1039/D1TA10569H,2023,2023/4/5,RSC,All Solvent Removed,FALSE,360.6,0.77318156,0.43,weak,
894,2023[In][neb]3[ASR]3,d1ta10569h2_3_ASR_pacman,-,unknown,"[C4H1In1O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Branch1][S][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.neb,tfl.cat1;d1ta10569h2_3_ASR_pacman",9.62876,6.94212,9.62807,0.745389,1392.93,1877.51,2518.83,0,0,0,4908.44,0.6616,0.88759,0,0,0,3,neb,unnamed,tfl,unnamed,2,2,-C 2yc,15,In,No,N/A,PACMAN-DDEC6,9.4609025,0.911510312,0.045516359,1.004197856,0.088011132,1.059332122,0.090944497,0.001478218,0.474303758,352,SI,10.1039/D1TA10569H,2023,2023/4/5,RSC,All Solvent Removed,FALSE,361.3,0.77515054,0.42,weak,
895,2023[In][neb]3[ASR]4,d1ta10569h2_4_ASR_pacman,-,unknown,"[C4H1In1O8_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Branch1][S][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.neb,tfl.cat1;d1ta10569h2_4_ASR_pacman",9.71385,7.00232,9.71217,0.734468,1405.64,1866.88,2541.81,0,0,0,5121.47,0.6802,0.926112,0,0,0,3,neb,unnamed,tfl,unnamed,2,3,-C 2yc,15,In,No,N/A,PACMAN-DDEC6,9.4609025,0.915246844,0.046253646,1.006170329,0.087396135,1.060682319,0.091363109,0.001454355,0.485009005,352,SI,10.1039/D1TA10569H,2023,2023/4/5,RSC,All Solvent Removed,FALSE,360.3,0.7725929,0.43,weak,
896,0000[Er][pcu]3[ASR]1,d1tc01027a2_3_ASR_pacman,-,unknown,[C2Er2O4_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1].[OH0][P][=Branch1][C][=O][Branch2][Branch1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][C][=C][Branch1][#C][C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][C][P][=Branch1][C][=O][Branch1][C][O][OH0][O] MOFid-v2.ERROR.cat0;d1tc01027a2_3_ASR_pacman,5.71083,4.42994,5.71083,1.50732,135.128,813.68,539.82,0,0,0,747.649,0.4502,0.298677,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 1,2,Er,No,N/A,PACMAN-DDEC6,11.42006036,0.79152628,0.029468719,0.893071544,0.045251114,0.964102111,0.052570377,0.001725758,0.27888457,132,SI,10.1039/D1TC01027A,unknown,unknown,RSC,All Solvent Removed,FALSE,391.7,0.8702051,0.65,superstrong_high_loading,
897,2022[Zn][pcu]3[ASR]4,d1tc03197j2_ASR_pacman,-,O=C1c2cc(ccc2-c2c1cc(cc2)c1ccncc1)c1ccncc1.[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.pcu.cat2;d1tc03197j2_ASR_pacman,[C4O8Zn2_Type-1].[O][=C][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat2;d1tc03197j2_ASR_pacman,7.11267,3.81215,7.09459,1.04643,647.043,1437.38,1373.61,0,0,0,2530.76,0.5622,0.537254,0,0,0,3,pcu,unnamed,pcu,unnamed,3,3,P 1,1,Zn,Yes,Zn,PACMAN-DDEC6,10.05906277,0.895923023,0.034928807,1.004516891,0.067532012,1.053798048,0.080988601,0.00157875,0.432183406,282,SI,10.1039/D1TC03197J,2022,2022/8/26,RSC,All Solvent Removed,TRUE,478.8,0.8795309,0.562301852,weak,
898,2022[Zn][sql]2[ASR]7,d1tc04239d2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;d1tc04239d2_ASR_pacman,unknown,4.69991,3.41327,4.69991,1.20811,88.7795,684.465,566.56,0,0,0,598.465,0.4614,0.38192,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Zn,No,N/A,PACMAN-DDEC6,8.90216,0.987368187,0.048442537,1.0854095,0.086503972,1.131134143,0.092157914,0.00143766,0.564789752,106,SI,10.1039/D1TC04239D,2022,2022/9/24,RSC,All Solvent Removed,FALSE,332.5,0.8371761,0.587910304,strong,
899,2023[Zn][nan]3[ASR]11,d1tc06021j2_ASR_pacman,-,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.unknown.cat0;d1tc06021j2_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d1tc06021j2_ASR_pacman,7.14455,4.72838,7.14455,1.08378,673.668,2142.53,1976.9,0,0,0,1965.17,0.625,0.576686,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,13.50045842,0.791630491,0.014768695,0.884517289,0.031937098,0.936110508,0.040714417,0.0014448,0.365072704,152,SI,10.1039/D1TC06021J,2023,2023/4/8,RSC,All Solvent Removed,FALSE,350.5,0.7030028,0.48656682,strong,
900,2022[Sc][nan]3[ASR]1,d2cc01197b2_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].[Sc] MOFid-v1.unknown.cat0;d2cc01197b2_ASR_pacman,[Sc4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;d2cc01197b2_ASR_pacman,7.29761,7.13277,7.29761,1.01537,245.961,1670.56,1645.27,0,0,0,881.625,0.5988,0.589733,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,Sc,No,N/A,PACMAN-DDEC6,12.503904,0.883611271,0.009704327,0.978878911,0.01321494,1.082091172,0.014950501,0.001984799,0.286847463,72,SI,10.1039/D2CC01197B,2022,2022/4/13,RSC,All Solvent Removed,TRUE,448.5,0.9165088,0.63,weak,
901,2023[Zn][pcu]3[ASR]1,d2cc02041f2_1_ASR_pacman,-,O=C1NC(=O)C2=NC=[N]=C2[N]1.O=C1NC(=O)N=C2[C]1N=C[N]2.O=C1NC(=O)[C]2C(=NC=N2)[N]1.[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][O]1[Zn][O]([Zn]1)[Zn] MOFid-v1.pcu.cat0;d2cc02041f2_1_ASR_pacman,unknown,9.49982,6.32548,9.49982,0.891096,2841.72,2285.7,2565.04,0,0,0,8849.54,0.7118,0.798792,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,A 2 -2ac,41,Zn,Yes,Zn,PACMAN-DDEC6,14.37792552,0.738980638,0.014719202,0.82087463,0.027148734,0.876395724,0.036834419,0.001374151,0.331130863,464,SI,10.1039/D2CC02041F,2023,2023/5/3,RSC,All Solvent Removed,TRUE,403.4,0.8349001,0.482,strong,
902,2023[Zn][nan]3[ASR]12,d2cc04064f2_ASR_pacman,-,[O-]C(=O)CN(C1=NC(=[N]=C([N]1)N1CCN(CC1)C1=NC(=[N]=C([N]1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Zn].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.ERROR.cat0;d2cc04064f2_ASR_pacman,unknown,4.84734,3.33854,4.84585,1.49396,139.254,380.393,254.621,0,0,0,1540.46,0.4208,0.281668,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2yb,4,Zn,Yes,Zn,PACMAN-DDEC6,10.69295922,0.884537142,0.029778513,0.985250402,0.055384094,1.043653298,0.064821077,0.001591162,0.414240403,308,SI,10.1039/D2CC04064F,2023,2023/9/2,RSC,All Solvent Removed,FALSE,354.5,0.7402494,0.6,superstrong_high_loading,
903,2023[Sc][nan]3[ASR]1,d2cc04649k2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_1_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_1_ASR_pacman,3.96948,3.00871,3.9611,1.24223,0,0,0,23.4503,150.645,121.27,764.01,0.4908,0.395096,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.897164543,0.026721644,1.012478298,0.041663938,1.075513391,0.058072096,0.001783488,0.370831108,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,528.8,0.89752144,0.196,weak,
904,2023[Sc][nan]3[ASR]2,d2cc04649k2_10_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_10_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_10_ASR_pacman,3.96193,2.99976,3.90055,1.24405,0,0,0,23.3386,150.146,120.692,763.205,0.491,0.39468,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.895242378,0.026390805,1.011381661,0.043106712,1.075408147,0.057780897,0.001801658,0.363430533,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529.1,0.8980266,0.196,weak,
905,2023[Sc][nan]3[ASR]3,d2cc04649k2_11_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_11_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_11_ASR_pacman,3.98093,3.00464,3.91067,1.24179,0,0,0,23.9406,153.74,123.805,764.592,0.491,0.395397,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896195885,0.026551387,1.013864702,0.041435221,1.076327063,0.057894995,0.001801312,0.365003426,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529,0.89808905,0.196,weak,
906,2023[Sc][nan]3[ASR]4,d2cc04649k2_12_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_12_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_12_ASR_pacman,3.9837,3.00472,3.78557,1.24158,0,0,0,24.5644,157.719,127.031,765.657,0.4916,0.395948,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896429618,0.026327864,1.01258546,0.041200352,1.076128948,0.057861951,0.001796993,0.366100349,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529.8,0.89927995,0.196,weak,
907,2023[Sc][nan]3[ASR]5,d2cc04649k2_13_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_13_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_13_ASR_pacman,3.96899,2.9981,3.9586,1.24421,0,0,0,23.4889,151.133,121.469,762.796,0.4908,0.394469,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896850455,0.02623964,1.011802455,0.042983162,1.072236554,0.05776203,0.001753861,0.379778475,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,528.7,0.8975059,0.196,weak,
908,2023[Sc][nan]3[ASR]6,d2cc04649k2_17_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_17_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_17_ASR_pacman,3.98646,2.99827,3.96313,1.24511,0,0,0,24.6249,158.557,127.344,764.106,0.492,0.395146,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896508862,0.025998293,1.009654181,0.042557141,1.074261059,0.057404727,0.001777522,0.371342007,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,528.6,0.8975927,0.196,weak,
909,2023[Sc][nan]3[ASR]7,d2cc04649k2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_2_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_2_ASR_pacman,3.9617,3.00417,3.52868,1.24332,0,0,0,23.545,151.386,121.76,763.029,0.4906,0.394589,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896476057,0.026474395,1.014036757,0.041933442,1.075944523,0.058135426,0.001794685,0.367346146,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,531.3,0.90130377,0.196,weak,
910,2023[Sc][nan]3[ASR]8,d2cc04649k2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_3_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_3_ASR_pacman,3.96442,3.00412,3.90615,1.24295,0,0,0,23.8186,153.099,123.174,763.569,0.4908,0.394868,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896516338,0.026512903,1.012697476,0.041870426,1.075876824,0.057793042,0.001793605,0.367268513,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529.1,0.8980044,0.196,weak,
911,2023[Sc][nan]3[ASR]9,d2cc04649k2_4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_4_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_4_ASR_pacman,3.96965,2.99597,3.95172,1.24491,0,0,0,22.6599,145.882,117.182,762.051,0.4906,0.394083,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.891711497,0.030059813,1.011772939,0.042165534,1.078696735,0.058041275,0.001869852,0.339612055,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,528.7,0.89756763,0.196,weak,
912,2023[Sc][nan]3[ASR]10,d2cc04649k2_5_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_5_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_5_ASR_pacman,3.97622,3.00153,3.78663,1.24359,0,0,0,23.5822,151.658,121.952,788.676,0.5072,0.407852,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896532111,0.026819248,1.013539412,0.042237428,1.076075085,0.05813023,0.00179543,0.366981797,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529.6,0.90200216,0.196,weak,
913,2023[Sc][nan]3[ASR]11,d2cc04649k2_6_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_6_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_6_ASR_pacman,3.97414,2.99527,3.91396,1.2451,0,0,0,24.0381,154.777,124.309,788.963,0.508,0.408001,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896684691,0.027246291,1.010290819,0.043732711,1.074999516,0.058570642,0.001783148,0.369889783,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,528.9,0.9006136,0.196,weak,
914,2023[Sc][nan]3[ASR]12,d2cc04649k2_7_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_7_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_7_ASR_pacman,3.96091,3.00165,3.78471,1.24458,0,0,0,23.282,149.846,120.399,762.257,0.4906,0.39419,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.895408193,0.026677883,1.012047059,0.042736249,1.075001961,0.057580903,0.001795938,0.365574214,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529.9,0.8991034,0.196,weak,
915,2023[Sc][nan]3[ASR]13,d2cc04649k2_9_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Sc] MOFid-v1.unknown.cat0;d2cc04649k2_9_ASR_pacman,[Sc1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2cc04649k2_9_ASR_pacman,3.98541,2.9976,3.80279,1.24544,0,0,0,24.6801,158.954,127.63,786.885,0.5068,0.406926,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Sc,No,N/A,PACMAN-DDEC6,11.64513408,0.896077519,0.026680769,1.011454287,0.042574278,1.074188708,0.058266574,0.001781112,0.370517677,100,SI,10.1039/D2CC04649K,2023,2023/9/16,RSC,All Solvent Removed,TRUE,529.4,0.9018854,0.196,weak,
916,2024[Cu][tfz]3[ASR]1,d2cc06283f2_ASR_pacman,-,O.O=Cc1c([O])c(C=O)c(c(c1[O])C=O)[O].[Cu] MOFid-v1.tfz.cat0;d2cc06283f2_ASR_pacman,[Cu1_Type-1].[O].[O][=C][C][=C][Branch1][C][OH0][C][Branch1][Ring1][C][=O][=C][Branch1][#Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch2][OH0][C][=O][OH0] MOFid-v2.tfz.cat0;d2cc06283f2_ASR_pacman,8.13006,7.89447,8.13006,1.65828,145.066,1099.3,662.913,0,0,0,598.319,0.4534,0.273415,0,0,0,3,tfz,unnamed,tfz,unnamed,1,3,"-P 3 2""c",165,Cu,No,N/A,PACMAN-DDEC6,13.727435,0.791319339,0.017315301,0.898000835,0.01525584,0.987687586,0.012011148,0.001963682,0.205047055,96,SI,10.1039/d2cc06283f,2024,2024/1/30,RSC,All Solvent Removed,TRUE,179.5,0.9358665,0.5755,weak,
917,2023[CuSc][flu]3[ASR]1,d2ce00133k2_ASR_pacman,-,Cl[Cu][O]([Cu](Cl)(Cl)Cl)([Cu](Cl)Cl)[Cu].Cl[Cu][O]([Cu](Cl)Cl)([Cu](Cl)Cl)[Cu]Cl.[O-]C(=O)c1ccncc1.[Sc][O]1[Sc][O]([Sc]1)[Sc] MOFid-v1.flu.cat0;d2ce00133k2_ASR_pacman,[C8O18Sc4_Type-1].[Cl6Cu4O1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.flu.cat0;d2ce00133k2_ASR_pacman,10.95157,6.03297,10.21649,0.911797,1558.95,1986.62,2178.8,0,0,0,5557.42,0.7082,0.776708,0,0,0,3,flu,unnamed,flu,unnamed,1,3,-P 1,2,"Cu,Sc",Yes,Sc,PACMAN-DDEC6,16.32149188,0.734739401,0.014603854,0.806980335,0.025608393,0.849534878,0.035875813,0.001147955,0.395300703,264,SI,10.1039/D2CE00133K,2023,2023/3/3,RSC,All Solvent Removed,FALSE,285.1,0.43467447,0.21,none,
918,2022[Nd][sql]2[ASR]1,d2ce00499b2_3_ASR_pacman,-,C=CCOc1cc(C(=O)[O-])c(cc1C(=O)[O-])OCC=C.[Nd] MOFid-v1.sql.cat0;d2ce00499b2_3_ASR_pacman,unknown,5.68336,4.09122,5.57391,1.12799,280.674,1975.8,1751.61,0,0,0,842.961,0.5934,0.526068,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Nd,Yes,Nd,PACMAN-DDEC6,13.04022649,0.771880209,0.023154428,0.855067861,0.033885067,0.90244701,0.040533922,0.001305668,0.386147889,74,SI,10.1039/D2CE00499B,2022,2022/11/10,RSC,All Solvent Removed,FALSE,413.7,0.5675241,0.85,none,
919,2022[Ce][sql]2[ASR]1,d2ce00499b2_4_ASR_pacman,-,C=CCOc1cc(C(=O)[O-])c(cc1C(=O)[O-])OCC=C.[Ce] MOFid-v1.sql.cat0;d2ce00499b2_4_ASR_pacman,unknown,5.68837,4.11978,5.68837,1.1113,283.507,1983.16,1784.54,0,0,0,850.594,0.595,0.535408,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ce,Yes,Ce,PACMAN-DDEC6,12.92871297,0.781346923,0.023030596,0.869174486,0.034781473,0.915450306,0.040184877,0.001341034,0.385962062,74,SI,10.1039/D2CE00499B,2022,2022/11/10,RSC,All Solvent Removed,FALSE,426.4,0.5158062,0.84,none,
920,2023[Zn][nan]3[ASR]13,d2ce00631f2_2_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)S([O])([O])[O])C(=O)[O-].[Zn][OH][Zn].c1ncn(c1)CC(Cn1cncc1)(Cn1cncc1)Cn1cncc1 MOFid-v1.ERROR.cat0;d2ce00631f2_2_ASR_pacman,[C2H1O5Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][Branch1][C][OH0][Branch1][C][OH0][OH0][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][Branch1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][Branch1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;d2ce00631f2_2_ASR_pacman,4.26643,2.55509,4.26643,1.51073,0,0,0,22.041,68.9224,45.6218,1311.16,0.41,0.271391,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,10.69605676,0.891164587,0.030953608,0.992351284,0.063223165,1.044200754,0.074334868,0.001530362,0.440278958,272,SI,10.1039/D2CE00631F,2023,2023/8/18,RSC,All Solvent Removed,FALSE,263.7,0.92481935,0.36,none,
921,2023[Zn][kgd]2[ASR]2,d2ce01382g2_2_ASR_pacman,-,[O-]C(=O)c1cccc(c1)OCc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn][OH]1[Zn][OH]([Zn]1)[Zn] MOFid-v1.unknown.cat0;d2ce01382g2_2_ASR_pacman,[C6H2O14Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ce01382g2_2_ASR_pacman,5.07212,3.5354,5.07139,1.60928,66.6792,700.835,435.496,0,0,0,428.141,0.45,0.279628,0,0,0,2,kgd,unnamed,kgd,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,12.80571667,0.807468058,0.02148916,0.904851767,0.043577377,0.943983887,0.052842868,0.001365158,0.407629172,72,SI,10.1039/D2CE01382G,2023,2023/12/9,RSC,All Solvent Removed,FALSE,417.1,0.6995659,0.533571429,strong,
922,2023[Cu][nan]3[ASR]3,d2ce01496c2_3_ASR_pacman,-,[Cu][O]1[Cu][O]([Cu]1)[Cu].[O-]C(=O)Cc1ccc(cc1)n1cnnc1 MOFid-v1.unknown.cat0;d2ce01496c2_3_ASR_pacman,[Cu4_Type-1].[O-1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;d2ce01496c2_3_ASR_pacman,7.28525,5.71966,7.28525,1.30013,458.951,820.443,631.046,48.9122,87.4378,67.2531,2885.36,0.5158,0.396729,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2 2 -1ab,50,Cu,Yes,Cu,PACMAN-DDEC6,11.17286204,0.846554591,0.033075524,0.923319038,0.058423657,0.97826538,0.061581485,0.001317108,0.455058574,392,SI,10.1039/D2CE01496C,2023,2023/12/6,RSC,All Solvent Removed,FALSE,233.4,0.85770226,0.74,none,
923,2023[Hf][hcp]3[ASR]1,d2ce01529c4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[OH]1[Hf]2345[OH][Hf]6781[O]1[Hf]9%10[OH]7[Hf]7%11%12%13[O]8[Hf]8%14%15([OH]6[Hf]61[OH]9[Hf]([O]%10%12)([O]%146)[OH]%13%15)[OH][Hf]169([OH]4[Hf]4%10[O]2[Hf]2%12[OH]3[Hf]3([O]51)([O]%12[Hf]([OH]42)([O]6%10)[OH]93)([OH]7)[OH]%11)[OH]8 MOFid-v1.ERROR.cat0;d2ce01529c4_ASR_pacman,[C18H14Hf12O58_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d2ce01529c4_ASR_pacman,15.48228,8.99991,15.48228,0.837949,3873.82,2000.4,2387.25,0,0,0,14748.6,0.7616,0.908886,0,0,0,3,hcp,unnamed,hcp,unnamed,1,3,P 1,1,Hf,No,N/A,PACMAN-DDEC6,16.28689613,0.636508719,0.007622549,0.718972699,0.009505215,0.784298736,0.011358289,0.0014779,0.195994992,600,SI,10.1039/d2ce01529c,2023,2023/3/7,RSC,All Solvent Removed,TRUE,420.8,0.6074228,0.61,weak,
924,2023[Zr][hcp]3[ASR]1,d2ce01529c5_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[OH]1[Zr]2345[OH][Zr]6781[O]1[Zr]9%10[OH]7[Zr]7%11%12%13[O]8[Zr]8%14%15([OH]6[Zr]61[OH]9[Zr]([O]%10%12)([O]%146)[OH]%13%15)[OH][Zr]169([OH]4[Zr]4%10[O]2[Zr]2%12[OH]3[Zr]3([O]51)([O]%12[Zr]([OH]42)([O]6%10)[OH]93)([OH]7)[OH]%11)[OH]8 MOFid-v1.ERROR.cat0;d2ce01529c5_ASR_pacman,[C18H14O58Zr12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d2ce01529c5_ASR_pacman,15.6067,9.04109,15.6067,0.647064,3931.19,1995.2,3083.46,0,0,0,15029.7,0.7628,1.17886,0,0,0,3,hcp,unnamed,hcp,unnamed,1,3,P 1,1,Zr,No,N/A,PACMAN-DDEC6,12.79625613,0.82662763,0.007057007,0.936728436,0.00565151,1.018125933,0.009391919,0.001914983,0.256916604,600,SI,10.1039/d2ce01529c,2023,2023/3/7,RSC,All Solvent Removed,TRUE,390.2,0.4534346,0.564,weak,
925,2023[Eu][nan]3[ASR]1,d2dt00869f2_ASR_pacman,-,O=C1N(c2cccc(c2)C(=O)[O-])C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)c1cccc(c1)C(=O)[O-].[Eu] MOFid-v1.unknown.cat0;d2dt00869f2_ASR_pacman,[Eu4_Type-4].[O][=C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][=C][C][Ring1][S][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=Branch2][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2dt00869f2_ASR_pacman,11.19496,10.13408,11.19496,1.00282,1857.14,1543,1538.66,0,0,0,7397.29,0.6146,0.612873,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw -1bw,88,Eu,No,N/A,PACMAN-DDEC6,11.95485816,0.796015468,0.02155215,0.909696327,0.034267947,0.968340502,0.04527128,0.00172325,0.288213152,608,SI,10.1039/D2DT00869F,2023,2023/5/16,RSC,All Solvent Removed,FALSE,382.2,0.9147235,0.93,none,
926,2023[Th][nan]3[ASR]1,d2dt01903e2_ASR_pacman,-,[O-]C(=O)c1ccc(nc1)c1ccc(cn1)C(=O)[O-].[Th] MOFid-v1.unknown.cat0;d2dt01903e2_ASR_pacman,[Th2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2dt01903e2_ASR_pacman,5.34946,4.5768,5.34946,1.40761,232.478,1375.37,977.096,0,0,0,931.694,0.5512,0.391587,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Th,No,N/A,PACMAN-DDEC6,14.62065592,0.674578787,0.019547052,0.754184459,0.037818664,0.792894407,0.044483087,0.001183156,0.326447881,98,SI,10.1039/D2DT01903E,2023,2023/9/28,RSC,All Solvent Removed,TRUE,276.8,0.65474325,0.49,weak,
927,2023[Co][sql]2[ASR]1,d2dt02049a2_ASR_pacman,-,[Co][OH2][Co].[O-]C(=O)c1ccc(s1)C(=O)[O-] MOFid-v1.sql.cat1;d2dt02049a2_ASR_pacman,unknown,7.49401,5.22841,7.468,1.09924,284.529,1489.28,1354.83,0,0,0,1107.71,0.5798,0.527456,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,12.39903824,0.834215504,0.01965205,0.932515404,0.044312145,0.981887604,0.05644404,0.001476721,0.399353819,102,SI,10.1039/D2DT02049A,2023,2023/10/17,RSC,All Solvent Removed,FALSE,320.5,0.92519045,0.598904762,strong,
928,2023[Cd][fsc]3[ASR]1,d2dt02141b2_ASR_pacman,-,"O=C(Nc1cccc2c1cccc2NC(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cd].c1ncn(c1)Cc1ccc(cc1)c1ccc(cc1)Cn1cncc1 MOFid-v1.sql,ERROR.cat0;d2dt02141b2_ASR_pacman","[C4Cd2O8_Type-1].[O][=C][Branch2][Ring2][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.sql,ERROR.cat0;d2dt02141b2_ASR_pacman",4.55938,2.83126,4.55844,1.25117,0,0,0,129.19,684.512,547.095,894.974,0.4742,0.379004,0,0,0,3,fsc,unnamed,sqc27,unnamed,1,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,9.875256111,0.889504451,0.038198516,1.011294817,0.057046189,1.078763837,0.066187154,0.001892594,0.33077985,144,SI,10.1039/D2DT02141B,2023,2023/9/9,RSC,All Solvent Removed,TRUE,346.5,0.8281463,0.73,strong,
929,2023[La][pts]3[ASR]1,d2dt02340g2_1_ASR_pacman,-,[La].[O]N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)[O] MOFid-v1.pts.cat0;d2dt02340g2_1_ASR_pacman,[La2_Type-1].[OH0][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][OH0] MOFid-v2.pts.cat0;d2dt02340g2_1_ASR_pacman,8.46935,7.71035,8.46935,1.21149,203.663,1707.51,1409.43,0,0,0,734.732,0.616,0.508465,0,0,0,3,pts-x,unnamed,pts-x,unnamed,1,3,-C 2yc,15,La,No,N/A,PACMAN-DDEC6,16.11469741,0.65797765,0.010815683,0.749279165,0.017385441,0.801383937,0.023380985,0.001434063,0.234291581,54,SI,10.1039/D2DT02340G,2023,2023/9/27,RSC,All Solvent Removed,FALSE,343.3,0.8771981,0.89,superstrong_high_loading,
930,2023[Sm][pts]3[ASR]1,d2dt02340g2_2_ASR_pacman,-,[O]N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)[O].[Sm] MOFid-v1.pts.cat0;d2dt02340g2_2_ASR_pacman,[Sm2_Type-1].[OH0][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch1][C][Ring1][O][=O][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring1][=N][=O][OH0] MOFid-v2.pts.cat0;d2dt02340g2_2_ASR_pacman,7.15715,6.77952,7.15505,1.42856,153.429,1477.93,1034.56,0,0,0,581.77,0.5604,0.392282,0,0,0,3,pts-x,unnamed,pts-x,unnamed,1,3,-C 2yc,15,Sm,Yes,Sm,PACMAN-DDEC6,16.53893926,0.637173053,0.012929827,0.715733402,0.01907704,0.774243069,0.022831524,0.0013707,0.229304787,54,SI,10.1039/D2DT02340G,2023,2023/9/27,RSC,All Solvent Removed,FALSE,347.5,0.88923955,0.91962963,superstrong_high_loading,
931,2023[Co][nan]2[ASR]1,d2dt02383k2_1_ASR_pacman,-,[Co].[O-]C(=O)c1cc(cc(c1)n1ccnc1C)C(=O)[O-].c1ncn(c1)c1ccc(cc1)Oc1ccc(cc1)n1cncc1 MOFid-v1.unknown.cat0;d2dt02383k2_1_ASR_pacman,[C2Co1O4_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;d2dt02383k2_1_ASR_pacman,4.59762,3.43271,4.59629,1.43846,62.702,298.896,207.789,0,0,0,787.511,0.3754,0.260974,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-P 1,2,Co,Yes,Co,PACMAN-DDEC6,9.984639451,0.926092914,0.031620242,1.032685464,0.068260912,1.090861037,0.080491371,0.001647681,0.439858044,182,SI,10.1039/D2DT02383K,2023,2023/10/22,RSC,All Solvent Removed,TRUE,377.4,0.7730665,0.909655172,weak,
932,2023[Co][ato]3[ASR]1,d2dt02968e2_1_ASR_pacman,-,unknown,unknown,12.80884,11.57577,12.80841,0.7669,922.27,1862.21,2428.23,0,0,0,3350.9,0.6766,0.882253,0,0,0,3,ato,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,10.89166271,0.89036431,0.024913826,1.017811955,0.034491102,1.091086142,0.047785759,0.002007218,0.297227723,210,SI,10.1039/D2DT02968E,2023,2023/11/2,RSC,All Solvent Removed,FALSE,296.1,0.9328574,0.68,strong,
933,2023[Co][ato]3[ASR]2,d2dt02968e2_2_ASR_pacman,-,unknown,unknown,11.76063,10.75705,11.76063,0.782894,1035.09,2133.59,2725.26,0,0,0,3232.96,0.6664,0.851201,0,0,0,3,ato,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,10.89166271,0.881428271,0.026956331,0.997334422,0.03855462,1.072392779,0.047295197,0.001909645,0.315342704,210,SI,10.1039/D2DT02968E,2023,2023/11/2,RSC,All Solvent Removed,TRUE,302.4,0.75000167,0.788571429,weak,
934,2024[Cd][nan]3[ASR]2,d2dt03388g2_ASR_pacman,-,[Cd][OH2][Cd].[O-]C(=O)c1ccc(cc1)C(=C(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;d2dt03388g2_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring2][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2dt03388g2_ASR_pacman,5.24921,4.0351,5.23438,1.37583,175.59,486.706,353.755,120.269,333.367,242.303,1859.42,0.5154,0.374611,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,12.66577153,0.752696369,0.022885724,0.857895005,0.03929467,0.908187507,0.056775945,0.001554911,0.295373976,236,SI,10.1039/d2dt03388g,2024,2024/2/11,RSC,All Solvent Removed,FALSE,368.3,0.6754743,0.629411765,superstrong_high_loading,
935,2023[Cd][fes]2[ASR]1,d2dt03392e2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)OCc1cc(COc2ccc(cc2)C(=O)[O-])c(cc1COc1ccc(cc1)C(=O)[O-])COc1ccc(cc1)C(=O)[O-] MOFid-v1.fes.cat0;d2dt03392e2_ASR_pacman,[C3Cd1O6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][P][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fes.cat0;d2dt03392e2_ASR_pacman,7.45467,6.49944,7.39678,0.972281,753.909,1402.21,1442.19,20.439,38.0149,39.0986,3135.62,0.5832,0.599826,0,0,0,2,fes,unnamed,fes,unnamed,2,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,10.22099792,0.892901828,0.030858616,0.996275013,0.057889228,1.052862311,0.075672334,0.001599605,0.420818028,308,SI,10.1039/D2DT03392E,2023,2023/12/7,RSC,All Solvent Removed,FALSE,402,0.5697278,0.448518519,superstrong_high_loading,
936,2022[In][nan]3[ASR]1,d2dt03719j3_1_ASR_pacman,-,[In].[O-]C(=O)C#CC(=O)[O-].[OH] MOFid-v1.unknown.cat0;d2dt03719j3_1_ASR_pacman,[In1_Type-1].[O-1][C][=Branch1][C][=O][C][#C][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;d2dt03719j3_1_ASR_pacman,6.98806,6.49312,6.98806,1.31584,257.435,2091.28,1589.31,0,0,0,808.762,0.657,0.499301,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4w 2c,91,In,No,N/A,PACMAN-DDEC6,22.16961273,0.653048908,0.016733127,0.705855573,0.011528292,0.741263333,0.012558042,0.000882144,0.39130545,44,SI,10.1039/D2DT03719J,2022,2022/12/14,RSC,All Solvent Removed,TRUE,368.2,0.3773332,0.61,unknown,
937,2022[In][nan]3[ASR]2,d2dt03719j3_2_ASR_pacman,-,[In].[O-]C(=O)C#CC(=O)[O-].[OH] MOFid-v1.unknown.cat0;d2dt03719j3_2_ASR_pacman,[In1_Type-1].[O-1][C][=Branch1][C][=O][C][#C][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;d2dt03719j3_2_ASR_pacman,6.97678,6.49204,6.97409,1.31754,258.712,2104.38,1597.2,0,0,0,799.602,0.6504,0.493646,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4cw 2c,95,In,No,N/A,PACMAN-DDEC6,22.16961273,0.652519241,0.016738164,0.702397792,0.011997941,0.74011866,0.012102653,0.000875994,0.391747262,44,SI,10.1039/D2DT03719J,2022,2022/12/14,RSC,All Solvent Removed,TRUE,366.1,0.38777736,0.61,unknown,
938,2024[Cu][sql]2[ASR]1,d2dt04162f2_ASR_pacman,-,[Cu].[O-]C(=O)c1cccc(c1)C(=O)[O-] MOFid-v1.sql.cat0;d2dt04162f2_ASR_pacman,unknown,4.60586,3.24756,4.50719,1.2818,0,0,0,155.836,783.463,611.221,908.607,0.4568,0.356373,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,10.37418595,0.887748696,0.037289858,1.007314747,0.056476215,1.056360272,0.071023742,0.001686116,0.39366739,148,SI,10.1039/D2DT04162F,2024,2024/3/2,RSC,All Solvent Removed,FALSE,218.4,0.46014178,0.795333333,strong,
939,2024[Co][sql]2[ASR]1,d2me00259k2_2_ASR_pacman,-,unknown,[C2Co1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch2][Ring2][Ring2][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.hcb.cat1;d2me00259k2_2_ASR_pacman,5.74536,3.97934,5.71922,0.999745,710.346,1308.95,1309.29,0,0,0,2798.07,0.5156,0.515731,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,8.087175396,1.036322448,0.054795356,1.16045922,0.077990784,1.247430546,0.0735616,0.002111081,0.409192397,404,SI,10.1039/d2me00259k,2024,2024/3/1,RSC,All Solvent Removed,FALSE,387.2,0.81459457,0.75,none,
940,2023[Cd][nan]3[ASR]3,d2qi00206j2_1_ASR_pacman,-,O=C(Nc1ccncc1)Nc1ccncc1.[Cd].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.pcu.cat1;d2qi00206j2_1_ASR_pacman,[C6Cd3O12_Type-1].[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;d2qi00206j2_1_ASR_pacman,7.42252,5.62882,7.42252,1.12437,606.196,1578.56,1403.95,0,0,0,2248.81,0.5856,0.520823,0,0,0,3,mismatch,unnamed,mismatch,unnamed,2,3,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.9275455,0.787380917,0.027254303,0.890709086,0.042410025,0.944041289,0.058699255,0.001566604,0.325732465,218,SI,10.1039/D2QI00206J,2023,2023/3/4,RSC,All Solvent Removed,FALSE,345.1,0.90514106,0.66,strong,
941,2023[Cu][ctn]3[ASR]1,d2qi00678b2_ASR_pacman,-,CC(=N[N]C(=S)N)c1cc(cc(c1)C(=N[N]C(=S)N)C)C(=N[N]C(=S)N)C.[Cu] MOFid-v1.ctn.cat0;d2qi00678b2_ASR_pacman,[Cu1S4_Type-1].[C][C][=Branch1][Branch2][=N][NH0][C][=Branch1][C][=S][N][C][=C][C][=Branch2][Ring1][Ring1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][Branch2][=N][NH0][C][=Branch1][C][=S][N][C][C][=Branch1][Branch2][=N][NH0][C][=Branch1][C][=S][N][C] MOFid-v2.ctn.cat0;d2qi00678b2_ASR_pacman,9.50808,7.56799,9.50416,0.505831,2881.46,2343.26,4632.5,0,0,0,9542.31,0.776,1.53411,0,0,0,3,ctn,unnamed,ctn,unnamed,1,3,I -4bd 2c 3,220,Cu,No,N/A,PACMAN-DDEC6,10.23427803,0.940543593,0.048064465,1.056695068,0.072452694,1.140449556,0.077158193,0.00199906,0.3462252,366,SI,10.1039/D2QI00678B,2023,2023/6/6,RSC,All Solvent Removed,TRUE,206.5,0.9494653,0.27,none,
942,2023[Cu][nan]3[ASR]4,d2qi00853j2_1_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc(cc1)OCC(COc1ccc(cc1)C(=O)[O-])(COc1ccc(cc1)C(=O)[O-])COc1ccc(cc1)C(=O)[O-] MOFid-v1.lvt.cat0;d2qi00853j2_1_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lvt.cat0;d2qi00853j2_1_ASR_pacman,7.25479,4.50685,7.23864,0.944758,982.703,1889.8,2000.3,0,0,0,3216.74,0.6186,0.654771,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2a 2bc,52,Cu,Yes,Cu,PACMAN-DDEC6,10.41730225,0.897832353,0.032810566,0.980954783,0.058585253,1.039558176,0.070993265,0.001417258,0.476741393,284,SI,10.1039/D2QI00853J,2023,2023/7/15,RSC,All Solvent Removed,FALSE,335.3,0.67243236,0.78,weak,
943,2023[Eu][nan]2[ASR]2,d2qi00859a2_ASR_pacman,-,O=C(c1ccc(cc1)C(=O)[O-])Nc1cc2ccccc2cc1NC(=O)c1ccc(cc1)C(=O)[O-].[Eu].[Eu][Eu] MOFid-v1.ERROR.cat1;d2qi00859a2_ASR_pacman,[Eu2_Type-1].[O][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat1;d2qi00859a2_ASR_pacman,6.38938,4.82083,6.3348,1.23839,913.034,1024.75,827.48,0,0,0,4454.92,0.5,0.403749,0,0,0,2,mismatch,unnamed,mismatch,unnamed,2,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,10.92877053,0.834131058,0.030923199,0.947398526,0.049173493,1.000875939,0.067330159,0.001667449,0.343861427,608,SI,10.1039/D2QI00859A,2023,2023/6/13,RSC,All Solvent Removed,FALSE,371.6,0.8663032,0.89,none,
944,2023[Cu][sql]2[ASR]1,d2qi00890d2_1_ASR_pacman,-,[Cu].n1ccc(cc1)C#CC#Cc1ccncc1 MOFid-v1.sql.cat1;d2qi00890d2_1_ASR_pacman,[Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d2qi00890d2_1_ASR_pacman,7.92582,6.11938,7.91197,0.599993,1305.07,2497.59,4162.7,0,0,0,3778.96,0.7232,1.20535,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,9.632641633,0.960045182,0.045029189,1.044706938,0.077474251,1.116155568,0.096484689,0.001561104,0.493916211,196,SI,10.1039/D2QI00890D,2023,2023/7/19,RSC,All Solvent Removed,FALSE,474.8,0.37132287,0.626666667,none,
945,2022[Zn][pts]3[ASR]1,d2ra00599a2_1_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d2ra00599a2_1_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ra00599a2_1_ASR_pacman,6.89454,5.73199,6.515,1.13491,784.718,1925.33,1696.45,0,0,0,2587.3,0.6348,0.559338,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,16.19479442,0.736215795,0.011940058,0.827409144,0.015804383,0.878737324,0.018377013,0.001425215,0.315295407,172,SI,10.1039/D2RA00599A,2022,2022/3/1,RSC,All Solvent Removed,FALSE,343.3,0.6716918,0.681785714,strong,
946,2022[Zn][pts]3[ASR]2,d2ra00599a2_2_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d2ra00599a2_2_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ra00599a2_2_ASR_pacman,6.86755,5.68818,6.49474,1.14329,776,1917.99,1677.61,0,0,0,2556.2,0.6318,0.552615,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,16.19479442,0.733548566,0.013250602,0.822046875,0.016825833,0.879570767,0.018662632,0.001460222,0.300644365,172,SI,10.1039/D2RA00599A,2022,2022/3/1,RSC,All Solvent Removed,FALSE,342.8,0.6737857,0.681785714,strong,
947,2022[Zn][pts]3[ASR]3,d2ra00599a2_3_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d2ra00599a2_3_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ra00599a2_3_ASR_pacman,6.86607,5.70218,6.49434,1.14276,768.615,1898.86,1661.64,0,0,0,2609.2,0.6446,0.564073,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,16.19479442,0.733954962,0.013025878,0.823246897,0.016667397,0.876556912,0.019258979,0.001426019,0.312146102,172,SI,10.1039/D2RA00599A,2022,2022/3/1,RSC,All Solvent Removed,FALSE,344.1,0.66690236,0.681785714,strong,
948,2022[Zn][pts]3[ASR]4,d2ra00599a2_4_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d2ra00599a2_4_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ra00599a2_4_ASR_pacman,6.87743,5.7109,6.50186,1.14153,775.778,1914.49,1677.13,0,0,0,2565.82,0.6332,0.554694,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,16.19479442,0.734335701,0.012740069,0.822609054,0.015955386,0.875792465,0.019244345,0.001414568,0.315813734,172,SI,10.1039/D2RA00599A,2022,2022/3/1,RSC,All Solvent Removed,FALSE,343.3,0.6713151,0.681785714,strong,
949,2022[Zn][pts]3[ASR]5,d2ra00599a2_5_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d2ra00599a2_5_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ra00599a2_5_ASR_pacman,6.88043,5.72296,6.50439,1.13981,773.065,1904.92,1671.26,0,0,0,2570.5,0.6334,0.555707,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,16.19479442,0.736530625,0.01264444,0.826132831,0.01733466,0.877309134,0.018987986,0.001407785,0.320599414,172,SI,10.1039/D2RA00599A,2022,2022/3/1,RSC,All Solvent Removed,FALSE,343.5,0.67076814,0.681785714,strong,
950,2022[Zn][pts]3[ASR]6,d2ra00599a2_6_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d2ra00599a2_6_ASR_pacman,[C8O16Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ra00599a2_6_ASR_pacman,6.87194,5.69591,6.4919,1.14226,764.895,1888.84,1653.6,0,0,0,2561.75,0.6326,0.553816,0,0,0,3,pts,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Zn,Yes,Zn,PACMAN-DDEC6,16.19479442,0.735819847,0.012593476,0.823603003,0.016738101,0.87697041,0.019611466,0.001411506,0.318104116,172,SI,10.1039/D2RA00599A,2022,2022/3/1,RSC,All Solvent Removed,FALSE,343.1,0.67183995,0.681785714,strong,
951,2023[Fe][nan]2[ASR]1,d2ra08040k2_1_ASR_pacman,-,Cl[Fe]Cl.[Fe].n1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1 MOFid-v1.ERROR.cat0;d2ra08040k2_1_ASR_pacman,[Cl2Fe1_Type-1].[Fe1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] MOFid-v2.ERROR.cat0;d2ra08040k2_1_ASR_pacman,7.1229,4.47055,7.0376,0.865488,2255.21,1985.7,2294.31,0,0,0,6948.39,0.6118,0.706884,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2ybc,14,Fe,No,N/A,PACMAN-DDEC6,9.42578879,0.898687171,0.046505137,1.016878681,0.074140138,1.082643593,0.08430637,0.001839564,0.355555678,628,SI,10.1039/d2ra08040k,2023,2023/1/12,RSC,All Solvent Removed,FALSE,375.2,0.5877531,0.736153846,weak,
952,2023[Fe][nan]3[ASR]1,d2sc06699h2_ASR_pacman,-,F[Fe](F)(F)F.F[Fe](F)F.[Fe].[O-]C(=O)c1ccc(o1)C(=O)[O-] MOFid-v1.sql.cat1;d2sc06699h2_ASR_pacman,[C8F14Fe6O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d2sc06699h2_ASR_pacman,5.81881,4.18743,5.81881,1.2805,990.872,1569.17,1225.44,0,0,0,3701.62,0.5862,0.457791,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab,19,Fe,No,N/A,PACMAN-DDEC6,16.90772173,0.769678682,0.012536319,0.847635034,0.013180084,0.899038245,0.019107039,0.001293596,0.386025516,288,SI,10.1039/d2sc06699h,2023,2023/1/18,RSC,All Solvent Removed,FALSE,321.1,0.6836081,0.41,strong,
953,2023[Ni][sql]2[ASR]1,d2se00527a2_ASR_pacman,-,C1CN2CCN1CC2.[Ni].[O-]C(=O)c1ccc(s1)C(=O)[O-] MOFid-v1.sql.cat1;d2se00527a2_ASR_pacman,[C2Ni1O4_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d2se00527a2_ASR_pacman,4.27518,3.53473,4.27381,1.31539,127.455,740.17,562.701,0,0,0,823.791,0.4784,0.363695,0,0,0,2,sql,unnamed,sql,unnamed,2,3,C 2c -2,36,Ni,Yes,Ni,PACMAN-DDEC6,10.02967529,0.946098703,0.043730478,1.022546258,0.079430757,1.084395057,0.092779204,0.001382964,0.533642769,136,SI,10.1039/D2SE00527A,2023,2023/5/10,RSC,All Solvent Removed,FALSE,389,0.89239776,0.66,superstrong_high_loading,
954,2023[Ni][dia]3[ASR]1,d2ta06863j2_ASR_pacman,-,[Ni].[O-]C(=O)c1ccncc1N MOFid-v1.dia.cat0;d2ta06863j2_ASR_pacman,[C2Ni1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N] MOFid-v2.dia.cat0;d2ta06863j2_ASR_pacman,5.38628,3.79465,5.3736,1.26015,85.5337,974.831,773.583,0,0,0,441.343,0.503,0.399159,0,0,0,3,dia,unnamed,dia,unnamed,2,3,P 2 -2n,34,Ni,No,N/A,PACMAN-DDEC6,10.73953548,0.898151639,0.036599616,1.018729226,0.066716855,1.062180961,0.076468446,0.001640293,0.418917991,62,SI,10.1039/D2TA06863J,2023,2023/11/17,RSC,All Solvent Removed,TRUE,283.9,0.82437086,0.65,weak,
955,2023[Eu][nan]3[ASR]2,d2ta07042a2_1_ASR_pacman,-,unknown,[Eu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][Ring1][#C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d2ta07042a2_1_ASR_pacman,30.35499,29.75958,30.35499,0.777976,1883.59,997.075,1281.63,0,0,0,13091.6,0.693,0.890773,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Eu,Yes,Eu,PACMAN-DDEC6,11.00812597,0.799255416,0.031398138,0.908354023,0.049834082,0.965993128,0.06468581,0.001667377,0.307618863,804,SI,10.1039/D2TA07042A,2023,2023/10/4,RSC,All Solvent Removed,FALSE,499.2,0.93179595,0.857692308,none,
956,2023[Mn][nan]3[ASR]1,d2ta08977g2_ASR_pacman,-,[Mn].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C1=NN=N[N]1)C1=NN=N[N]1 MOFid-v1.unknown.cat0;d2ta08977g2_ASR_pacman,[Mn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=C][Ring1][=Branch2][C][=N][N][=N][NH0][Ring1][Branch1][C][=N][N][=N][NH0][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;d2ta08977g2_ASR_pacman,12.62081,12.40227,12.62081,0.84824,392.882,1639.43,1932.74,0,0,0,1695.73,0.7076,0.834198,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 64,172,Mn,Yes,Mn,PACMAN-DDEC6,15.69423731,0.746107161,0.009486508,0.829044244,0.013425952,0.897660008,0.017950916,0.001515528,0.293835508,78,SI,10.1039/D2TA08977G,2023,2023/12/28,RSC,All Solvent Removed,FALSE,236.4,0.91298324,0.588461538,strong,
957,2023[Zn][hmc]3[ASR]1,d2tc02112a2_ASR_pacman,-,"[O-]C(=O)c1cc(cc(c1)C(=O)[O-])O[C]1=[N]=[C](=[N]=[C](=[N]=1)Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-])Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].[Zn][Zn] MOFid-v1.hmc,tfe.cat0;d2tc02112a2_ASR_pacman",unknown,14.34886,6.30486,14.34886,0.744623,3701.86,2457.83,3300.77,0,0,0,11263,0.7478,1.00427,0,0,0,3,hmc,unnamed,tfe,unnamed,1,3,"R 3 2""",155,Zn,Yes,Zn,PACMAN-DDEC6,14.68176452,0.757965128,0.013171759,0.844202605,0.024270928,0.898464474,0.033560481,0.001404993,0.341796356,460,SI,10.1039/D2TC02112A,2023,2023/7/21,RSC,All Solvent Removed,FALSE,360.2,0.9636455,0.4,strong,
958,2024[Tb][sql]2[ASR]1,d2tc04978c2_2_ASR_pacman,-,unknown,[C4O8Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d2tc04978c2_2_ASR_pacman,6.32829,4.70499,6.30853,1.10199,1114.89,1983.92,1800.31,0,0,0,3503.26,0.6234,0.565704,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ac 2ab,61,Tb,Yes,Tb,PACMAN-DDEC6,15.03760742,0.681324391,0.019011777,0.759565887,0.027424053,0.795591602,0.036081593,0.001142672,0.345558722,248,SI,10.1039/d2tc04978c,2024,2024/1/27,RSC,All Solvent Removed,FALSE,373,0.8457057,0.45,none,
959,2024[Zn][sql]2[ASR]1,d3cc00257h2_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1F)c1ccc(cc1)N(c1ccc(cc1)c1ccc(c(c1)F)C(=O)[O-])c1ccc(cc1)N(c1ccc(cc1)c1ccc(c(c1)F)C(=O)[O-])c1ccc(cc1)c1ccc(c(c1)F)C(=O)[O-].[Zn] MOFid-v1.sql,bex.cat1;d3cc00257h2_ASR_pacman","[C4O8Zn2_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][O-1] MOFid-v2.sql,bex.cat1;d3cc00257h2_ASR_pacman",5.82462,3.79137,5.82462,1.08589,417.107,1249.28,1150.47,0,0,0,1841,0.5514,0.507788,0,0,0,2,sql,unnamed,bex,unnamed,2,3,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.29846125,0.881076607,0.034242461,1.005435645,0.052458372,1.06903503,0.070048841,0.001879584,0.327327948,212,SI,10.1039/d3cc00257h,2024,2024/2/20,RSC,All Solvent Removed,FALSE,365.1,0.88919103,0.34,strong,
960,2024[Zn][crb]3[ASR]1,d3cc01369c2_1_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_1_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_1_ASR_pacman,6.29616,5.28591,5.76738,0.935738,1097.59,1937.36,2070.41,0,0,0,3738,0.6598,0.705112,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.822307995,0.006821673,0.916569143,0.007443942,1.03439615,0.00828437,0.002120882,0.182115885,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.6,0.9030808,0.97,weak,
961,2024[Zn][crb]3[ASR]2,d3cc01369c2_10_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_10_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_10_ASR_pacman,6.18304,5.28458,5.7369,0.935738,1095.73,1934.08,2066.9,0,0,0,3730.07,0.6584,0.703616,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.817207416,0.006510391,0.910139385,0.006204145,1.027376403,0.006011314,0.00210169,0.182649613,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.1,0.90228176,0.97,weak,
962,2024[Zn][crb]3[ASR]3,d3cc01369c2_11_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_11_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_11_ASR_pacman,6.28692,5.28447,5.75274,0.935738,1095.91,1934.4,2067.25,0,0,0,3730.07,0.6584,0.703616,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.813758879,0.006073814,0.908011479,0.005210853,1.024616317,0.005056032,0.002108574,0.177461192,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.8,0.90342295,0.97,weak,
963,2024[Zn][crb]3[ASR]4,d3cc01369c2_12_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_12_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_12_ASR_pacman,6.34189,5.33288,6.34189,0.935738,1117.7,1972.86,2108.35,0,0,0,3774.26,0.6662,0.711952,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.782043705,0.041397367,0.858203688,0.055301925,0.937753606,0.070563771,0.001557099,0.314349015,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.4,0.89563364,0.96,weak,
964,2024[Zn][crb]3[ASR]5,d3cc01369c2_13_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_13_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_13_ASR_pacman,6.18171,5.28512,5.74457,0.935738,1096.48,1935.41,2068.32,0,0,0,3730.07,0.6584,0.703616,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.820412396,0.006799365,0.914821244,0.006460224,1.031428553,0.00706455,0.002110162,0.183664184,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.2,0.9023404,0.97,weak,
965,2024[Zn][crb]3[ASR]6,d3cc01369c2_14_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_14_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_14_ASR_pacman,6.28789,5.2849,5.75409,0.935738,1096.59,1935.6,2068.53,0,0,0,3731.21,0.6586,0.70383,0,0,0,3,crb,bct,crb,bct,1,2,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.813544361,0.005918468,0.910181398,0.005385101,1.02494573,0.005516999,0.002114014,0.176319035,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.8,0.9034929,0.97,weak,
966,2024[Zn][crb]3[ASR]7,d3cc01369c2_15_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_15_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_15_ASR_pacman,6.29064,5.28609,5.76518,0.935738,1096.93,1936.2,2069.17,0,0,0,3735.74,0.6594,0.704685,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.821442008,0.006865672,0.914073455,0.006510097,1.031903342,0.007553083,0.002104613,0.185858265,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.6,0.90306365,0.97,weak,
967,2024[Zn][crb]3[ASR]8,d3cc01369c2_16_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_16_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_16_ASR_pacman,6.3632,5.33079,6.32236,0.935738,1116.07,1969.99,2105.29,0,0,0,3776.53,0.6666,0.712379,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.786151604,0.041040687,0.858393271,0.05885643,0.939182887,0.071694954,0.001530313,0.325633095,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.5,0.8961736,0.96,weak,
968,2024[Zn][crb]3[ASR]9,d3cc01369c2_2_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_2_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_2_ASR_pacman,6.30473,5.28591,5.76782,0.935738,1097.22,1936.72,2069.73,0,0,0,3739.14,0.66,0.705326,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.825347345,0.007028342,0.918683818,0.007825113,1.035588791,0.008972025,0.002102414,0.190694926,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.6,0.90299976,0.97,weak,
969,2024[Zn][crb]3[ASR]10,d3cc01369c2_3_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_3_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_3_ASR_pacman,6.30272,5.28603,5.76485,0.935738,1097.15,1936.59,2069.58,0,0,0,3736.87,0.6596,0.704898,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.823890015,0.006898837,0.91654165,0.007354536,1.034561742,0.008553777,0.002106717,0.187646759,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.6,0.90306246,0.97,weak,
970,2024[Zn][crb]3[ASR]11,d3cc01369c2_4_ASR_pacman,-,unknown,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_4_ASR_pacman,6.29436,5.28433,5.74914,0.935738,1095.28,1933.29,2066.06,0,0,0,3731.21,0.6586,0.70383,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.81433136,0.006234534,0.909442041,0.005310395,1.025494345,0.005267754,0.00211163,0.177352132,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.8,0.9034999,0.97,weak,
971,2024[Zn][crb]3[ASR]12,d3cc01369c2_5_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_5_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_5_ASR_pacman,6.28808,5.28476,5.75315,0.935738,1096.27,1935.04,2067.93,0,0,0,3731.21,0.6586,0.70383,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.814922512,0.006080689,0.909967328,0.005464983,1.025139844,0.005563856,0.002102173,0.180915896,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.8,0.90343463,0.97,weak,
972,2024[Zn][crb]3[ASR]13,d3cc01369c2_6_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_6_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_6_ASR_pacman,6.29673,5.28475,5.75131,0.935738,1096,1934.57,2067.42,0,0,0,3731.21,0.6586,0.70383,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.817084163,0.006216772,0.912241426,0.00585524,1.029822797,0.006076054,0.002127386,0.175130908,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.7,0.9033829,0.97,weak,
973,2024[Zn][crb]3[ASR]14,d3cc01369c2_7_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_7_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_7_ASR_pacman,6.29538,5.28589,5.76534,0.935738,1097.73,1937.62,2070.69,0,0,0,3736.87,0.6596,0.704898,0,0,0,3,crb,bct,crb,bct,1,2,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.822270555,0.00682518,0.91515298,0.007041679,1.03312536,0.008298266,0.002108548,0.18552448,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.7,0.90315175,0.97,weak,
974,2024[Zn][crb]3[ASR]15,d3cc01369c2_8_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_8_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_8_ASR_pacman,6.2956,5.28606,5.76642,0.935738,1096.76,1935.9,2068.85,0,0,0,3735.74,0.6594,0.704685,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.820865734,0.00677001,0.915442374,0.006464111,1.032954171,0.007713664,0.002120884,0.180777903,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.6,0.90307325,0.97,weak,
975,2024[Zn][crb]3[ASR]16,d3cc01369c2_9_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.crb.cat0;d3cc01369c2_9_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.crb.cat0;d3cc01369c2_9_ASR_pacman,6.28096,5.28433,5.75173,0.935738,1096.26,1935.02,2067.91,0,0,0,3731.21,0.6586,0.70383,0,0,0,3,crb,bct,crb,bct,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.81425976,0.006120102,0.908757901,0.00524463,1.024000904,0.005353759,0.002097411,0.181578855,272,SI,10.1039/d3cc01369c,2024,2024/6/19,RSC,All Solvent Removed,FALSE,427.7,0.9033736,0.97,weak,
976,2024[Zn][scn]3[ASR]1,d3cc01566a2_ASR_pacman,-,Nc1ncnc2=[N]=CN=c12.O=N(=O)c1cc(cc(c1)c1cc(ccc1C(=O)[O-])C(=O)[O-])c1cc(ccc1C(=O)[O-])C(=O)[O-].[O-]C=O.[Zn].[Zn][Zn] MOFid-v1.unknown.cat0;d3cc01566a2_ASR_pacman,unknown,7.29375,4.92532,7.29375,1.04474,490.069,1951.64,1868.07,0,0,0,1547.82,0.6164,0.590005,0,0,0,3,scn,unnamed,unnamed,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,12.63830016,0.82925157,0.017558675,0.927805293,0.038329127,0.976737991,0.048515294,0.001474864,0.395062481,125,SI,10.1039/d3cc01566a,2024,2024/5/9,RSC,All Solvent Removed,TRUE,358.7,0.77799976,0.724272883,unknown,
977,2024[Cd][sql]2[ASR]1,d3ce00001j2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;d3ce00001j2_ASR_pacman,unknown,4.45924,3.41188,4.43218,1.31913,83.7621,639.984,485.156,0,0,0,598.129,0.457,0.34644,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 1,2,Cd,No,N/A,PACMAN-DDEC6,9.626915185,0.905283663,0.041837107,1.011270493,0.060073106,1.084999489,0.056626909,0.001797158,0.371512492,108,SI,10.1039/d3ce00001j,2024,2024/2/7,RSC,All Solvent Removed,FALSE,284.7,0.6272123,0.489175084,strong,
978,2024[La][sql]2[ASR]1,d3ce00039g1_1_ASR_pacman,-,[La].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-] MOFid-v1.sql.cat0;d3ce00039g1_1_ASR_pacman,[C6La2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d3ce00039g1_1_ASR_pacman,6.57233,5.02454,6.41515,1.06969,294.546,1889.13,1766.06,0,0,0,951.712,0.6104,0.570634,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,La,Yes,La,PACMAN-DDEC6,13.57259541,0.748495032,0.018424348,0.849728032,0.031704921,0.895005179,0.043862874,0.001465101,0.318290568,74,SI,10.1039/d3ce00039g,2024,2024/2/14,RSC,All Solvent Removed,FALSE,421.5,0.72678673,0.75,superstrong_high_loading,
979,2024[Eu][sql]2[ASR]1,d3ce00099k2_1_ASR_pacman,-,unknown,[C6Eu2H4O14_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d3ce00099k2_1_ASR_pacman,7.34563,5.80246,7.34099,1.49548,214.616,1207.62,807.511,0,0,0,961.812,0.5412,0.361891,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2yb,11,Eu,Yes,Eu,PACMAN-DDEC6,15.0993083,0.681568008,0.0223086,0.746281101,0.042437444,0.783596598,0.047728919,0.001020286,0.380048508,106,SI,10.1039/d3ce00099k,2024,2024/3/14,RSC,All Solvent Removed,FALSE,384.3,0.2817791,0.54962963,none,
980,2024[Tb][sql]2[ASR]2,d3ce00099k2_4_ASR_pacman,-,[O-]C(=O)CCCC(=O)[O-].[O-]C(=O)c1cnccc1C(=O)[O-].[OH2][Tb] MOFid-v1.sql.cat0;d3ce00099k2_4_ASR_pacman,[C6H4O14Tb2_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d3ce00099k2_4_ASR_pacman,7.28222,5.74426,7.27968,1.54132,209.864,1196.27,776.13,0,0,0,961.72,0.5482,0.355668,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2yb,11,Tb,Yes,Tb,PACMAN-DDEC6,15.36200075,0.669507295,0.02272017,0.735860912,0.037437211,0.773700741,0.044275702,0.001041934,0.361679257,106,SI,10.1039/d3ce00099k,2024,2024/3/14,RSC,All Solvent Removed,FALSE,390.9,0.22187403,0.57962963,none,
981,2024[Sm][sql]2[ASR]1,d3ce00099k2_5_ASR_pacman,-,[O-]C(=O)CCCC(=O)[O-].[O-]C(=O)c1cnccc1C(=O)[O-].[Sm] MOFid-v1.sql.cat0;d3ce00099k2_5_ASR_pacman,[C6O12Sm2_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d3ce00099k2_5_ASR_pacman,7.3842,5.83467,7.3788,1.40987,235.088,1311.38,930.147,0,0,0,1020.03,0.569,0.403584,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2yb,11,Sm,Yes,Sm,PACMAN-DDEC6,16.1920166,0.661185059,0.018181804,0.71875081,0.033168048,0.755175765,0.040126588,0.000939907,0.38273641,94,SI,10.1039/d3ce00099k,2024,2024/3/14,RSC,All Solvent Removed,FALSE,372.9,0.38406584,0.557058824,none,
982,2024[Cd][dia]3[ASR]1,d3ce00135k2_2_ASR_pacman,-,Cc1nccn1Cc1c2ccccc2c(c2c1cccc2)Cn1ccnc1C.[Cd].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.dia.cat0;d3ce00135k2_2_ASR_pacman,[C2Cd1O4_Type-1].[C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][N][=C][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.dia.cat0;d3ce00135k2_2_ASR_pacman,5.78772,4.02753,5.78772,1.20139,176.754,889.181,740.126,0,0,0,962.111,0.484,0.402866,0,0,0,3,dia,unnamed,dia,unnamed,5,3,-C 2yc,15,Cd,No,N/A,PACMAN-DDEC6,9.338703896,0.914814778,0.043014994,1.004227177,0.086392399,1.069644797,0.094657129,0.0015483,0.454323848,154,SI,10.1039/d3ce00135k,2024,2024/3/1,RSC,All Solvent Removed,FALSE,307.4,0.51253647,0.75,weak,
983,2024[Cd][nan]3[ASR]3,d3ce00135k2_3_ASR_pacman,-,Cc1nccn1Cc1c2ccccc2c(c2c1cccc2)Cn1ccnc1C.[Cd].[O-]C(=O)c1ccc(c(c1)N)C(=O)[O-] MOFid-v1.unknown.cat0;d3ce00135k2_3_ASR_pacman,[C2Cd1O4_Type-1].[C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][N][=C][Ring1][Branch1][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3ce00135k2_3_ASR_pacman,5.08472,3.22525,4.79396,1.27529,0,0,0,171.746,694.542,544.615,1224.04,0.495,0.388147,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 2yc,13,Cd,Yes,Cd,PACMAN-DDEC6,10.79022136,0.832972885,0.030449922,0.913422638,0.068894731,0.970774176,0.074393457,0.001378013,0.423418712,176,SI,10.1039/d3ce00135k,2024,2024/3/1,RSC,All Solvent Removed,FALSE,355.4,0.33480895,0.520058824,superstrong_high_loading,
984,2023[Gd][nan]3[ASR]1,d3ce00138e2_5_ASR_pacman,-,[Gd].[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;d3ce00138e2_5_ASR_pacman,[C6Gd2O12_Type-1].[Gd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3ce00138e2_5_ASR_pacman,5.50421,3.43728,5.46864,1.24666,353.624,1192.38,956.462,0,0,0,1599.11,0.5392,0.432517,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Gd,Yes,Gd,PACMAN-DDEC6,12.10048478,0.748439925,0.030085958,0.861566477,0.045286715,0.898665979,0.065475823,0.001502261,0.310432933,184,SI,10.1039/d3ce00138e,2023,2023/3/28,RSC,All Solvent Removed,FALSE,508.7,0.59776646,0.74,none,
985,2023[Ho][nan]3[ASR]1,d3ce00138e2_6_ASR_pacman,-,[Ho].[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;d3ce00138e2_6_ASR_pacman,[C6Ho2O12_Type-1].[Ho1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3ce00138e2_6_ASR_pacman,5.47874,3.67921,5.25338,1.25996,378.767,1273.22,1010.53,0,0,0,1625.47,0.5464,0.433665,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Ho,Yes,Ho,PACMAN-DDEC6,12.26744826,0.7360735,0.029519043,0.844842879,0.044858807,0.885970368,0.064089917,0.001498969,0.297656542,184,SI,10.1039/d3ce00138e,2023,2023/3/28,RSC,All Solvent Removed,FALSE,506.6,0.5611073,0.73,none,
986,2023[Er][nan]3[ASR]1,d3ce00138e2_7_ASR_pacman,-,[Er].[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;d3ce00138e2_7_ASR_pacman,[C6Er2O12_Type-1].[Er1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3ce00138e2_7_ASR_pacman,5.45464,3.41317,5.41595,1.28565,347.946,1188.56,924.479,0,0,0,1566.78,0.5352,0.416287,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Er,Yes,Er,PACMAN-DDEC6,12.31807174,0.735625046,0.029538194,0.845787756,0.04508931,0.884297868,0.064585653,0.001486728,0.301548679,184,SI,10.1039/d3ce00138e,2023,2023/3/28,RSC,All Solvent Removed,FALSE,504,0.5330175,0.74,none,
987,0000[Ho][bey]2[ASR]1,d3ce00138e2_8_ASR_pacman,-,[Ho].[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)O.[O-]C(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat1;d3ce00138e2_8_ASR_pacman,unknown,5.77347,3.75877,5.58162,1.19108,386.1,991.288,832.263,54.9648,141.119,118.48,2056.53,0.528,0.443297,0,0,0,2,bey,unnamed,bey,unnamed,2,3,-P 1,2,Ho,Yes,Ho,PACMAN-DDEC6,11.26507516,0.798993447,0.032804445,0.913590731,0.049859134,0.962491118,0.070335786,0.001634977,0.319449917,248,SI,10.1039/d3ce00138e,unknown,unknown,RSC,All Solvent Removed,FALSE,417.7,0.7203286,0.6505,none,
988,2023[Eu][mog]3[ASR]1,d3ce00358b2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-] MOFid-v1.pcu.cat0;d3ce00358b2_2_ASR_pacman,unknown,5.20483,2.81365,5.20483,1.49898,0,0,0,82.598,570.533,380.615,590.965,0.4082,0.272319,0,0,0,3,mog,unnamed,moc,unnamed,1,2,-P 1,2,Eu,No,N/A,PACMAN-DDEC6,11.66838893,0.787578163,0.030114785,0.893804937,0.04665452,0.941112604,0.061809646,0.001535344,0.336794694,112,SI,10.1039/d3ce00358b,2023,2023/7/11,RSC,All Solvent Removed,FALSE,452.7,0.79265785,0.69,weak,
989,2024[Cd][nan]2[ASR]2,d3ce00370a2_ASR_pacman,-,"O=C(C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])Nc1cc(cc(c1)C(=O)O)C(=O)[O-].[Cd] MOFid-v1.bex,ERROR.cat1;d3ce00370a2_ASR_pacman","[C2Cd1O4_Type-1].[C4Cd2O8_Type-1].[O][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1] MOFid-v2.bex,ERROR.cat1;d3ce00370a2_ASR_pacman",5.20872,3.4546,5.20872,1.65278,272.18,581.959,352.108,0,0,0,2171.98,0.4644,0.28098,0,0,0,2,mismatch,unnamed,mismatch,unnamed,4,3,-C 2yc,15,Cd,Yes,Cd,PACMAN-DDEC6,14.36760395,0.730315043,0.015587848,0.818149051,0.034378505,0.874714197,0.037829161,0.001443992,0.302329059,324,SI,10.1039/d3ce00370a,2024,2024/5/22,RSC,All Solvent Removed,FALSE,340.9,0.87252444,0.409411765,none,
990,2024[Zn][nan]3[ASR]1,d3ce00398a2_2_ASR_pacman,-,unknown,"[C8O18Zn4_Type-1].[O][=C][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sdd,UNKNOWN.cat0;d3ce00398a2_2_ASR_pacman",5.16558,4.11042,5.15233,1.19228,259.768,1861.42,1561.22,0,0,0,830.626,0.5952,0.499211,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Zn,Yes,Zn,PACMAN-DDEC6,14.31381543,0.774823773,0.014361703,0.87193792,0.029455594,0.916157616,0.032855232,0.001413338,0.359637986,70,SI,10.1039/d3ce00398a,2024,2024/6/13,RSC,All Solvent Removed,FALSE,347.2,0.672972,0.48,strong,
991,2024[Zn][ths]3[ASR]1,d3ce00405h2_1_ASR_pacman,-,Cl[Zn].[O-]C(=O)c1ccc(cc1)c1cc(nc(c1)c1ccncc1)c1ccncc1 MOFid-v1.ths.cat0;d3ce00405h2_1_ASR_pacman,[C1Cl1O2Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ths.cat0;d3ce00405h2_1_ASR_pacman,4.66266,3.90863,4.55433,1.23899,105.422,867.788,700.399,0,0,0,588.708,0.4846,0.391125,0,0,0,3,ths,unnamed,ths,unnamed,3,3,C -2yc,9,Zn,Yes,Zn,PACMAN-DDEC6,10.53949907,0.869318843,0.033194315,0.970430364,0.06657697,1.011564126,0.076502052,0.001422453,0.452579288,86,SI,10.1039/d3ce00405h,2024,2024/6/28,RSC,All Solvent Removed,FALSE,416.1,0.7248918,0.658518519,weak,
992,2024[Mn][pts]3[ASR]1,d3ce00476g2_2_ASR_pacman,-,unknown,unknown,5.10481,4.20937,5.10475,1.19889,290.221,993.252,828.479,0,0,0,1386.75,0.4746,0.395867,0,0,0,3,pts,unnamed,dmd,unnamed,1,3,-P 2ybc,14,Mn,No,N/A,PACMAN-DDEC6,9.950737453,0.918807574,0.03327764,1.050984681,0.051459914,1.117271197,0.068388667,0.001984636,0.33439847,212,SI,10.1039/d3ce00476g,2024,2024/6/23,RSC,All Solvent Removed,TRUE,370.8,0.72801954,0.878461538,strong,
993,2024[Zn][sql]2[ASR]2,d3ce00541k2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat1;d3ce00541k2_3_ASR_pacman,unknown,4.83867,4.02901,4.83867,1.26246,258.174,815.154,645.685,0,0,0,1461.97,0.4616,0.365634,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.94474618,0.884306954,0.02767332,1.010704399,0.045272172,1.061882142,0.062954366,0.001775752,0.36411801,220,SI,10.1039/d3ce00541k,2024,2024/11/1,RSC,All Solvent Removed,FALSE,383.2,0.947749,0.60986623,weak,
994,2024[Zn][sql]2[ASR]3,d3ce00541k2_5_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat0;d3ce00541k2_5_ASR_pacman,unknown,4.89084,4.20307,4.8443,1.32669,158.991,513.875,387.336,55.6693,179.929,135.622,1370.01,0.4428,0.333763,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,11.03500786,0.877275425,0.02680558,0.987047293,0.056113497,1.030550404,0.066720333,0.00153275,0.428495282,224,SI,10.1039/d3ce00541k,2024,2024/11/1,RSC,All Solvent Removed,TRUE,280.4,0.94762135,0.563194444,weak,
995,2023[Cd][rtl]3[ASR]1,d3ce00557g2_3_ASR_pacman,-,[Cd].[O-]C(=O)CCN1C(=O)c2c(C1=O)cncc2 MOFid-v1.rtl.cat0;d3ce00557g2_3_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=N][C][=C][Ring1][Branch2] MOFid-v2.rtl.cat0;d3ce00557g2_3_ASR_pacman,4.96397,3.87939,4.92114,1.3165,146.605,1055.18,801.5,0,0,0,698.026,0.5024,0.381617,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cd,No,N/A,PACMAN-DDEC6,11.71825872,0.847855803,0.021530112,0.96622725,0.025219899,1.023198176,0.027253571,0.001753424,0.332062105,94,SI,10.1039/d3ce00557g,2023,2023/7/4,RSC,All Solvent Removed,FALSE,289,0.88572896,0.627058824,weak,
996,2024[Ni][etb]3[ASR]1,d3ce00813d2_3_ASR_pacman,-,[Ni].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.etb.cat0;d3ce00813d2_3_ASR_pacman,[Ni1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.etb.cat0;d3ce00813d2_3_ASR_pacman,11.14925,6.60182,11.14925,0.627285,1167.88,2214.53,3530.35,0,0,0,3730.61,0.7074,1.12772,0,0,0,3,etb,unnamed,etb,unnamed,7,3,-R 3,148,Ni,Yes,Ni,PACMAN-DDEC6,8.973654054,0.909827274,0.065032153,1.006304256,0.098066451,1.087496781,0.10754819,0.001776695,0.37936616,222,SI,10.1039/d3ce00813d,2024,2024/11/15,RSC,All Solvent Removed,FALSE,328.2,0.50163823,0.57,weak,
997,2024[Mn][pcu]3[ASR]1,d3ce00881a2_7_ASR_pacman,-,unknown,unknown,6.39103,5.68979,6.36355,1.05845,762.89,1380.54,1304.3,0,0,0,3012.79,0.5452,0.515091,0,0,0,3,pcu,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Mn,No,N/A,PACMAN-DDEC6,10.23931081,0.90844146,0.034704138,1.030937104,0.051838565,1.093712478,0.064283607,0.00185271,0.362581779,344,SI,10.1039/d3ce00881a,2024,2024/9/28,RSC,All Solvent Removed,FALSE,365.2,0.53389513,0.64,weak,
998,2024[Hf][pcu]3[ASR]1,d3ce01022h2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cccc(c1)c1ccc(cc1)C(=O)[O-].[O]12[Hf]34[O]5[Hf]62[O]2[Hf]71[O]4[Hf]14[O]3[Hf]35[O]6[Hf]2([O]71)[O]43 MOFid-v1.ERROR.cat0;d3ce01022h2_ASR_pacman,[C12Hf6O32_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3ce01022h2_ASR_pacman,6.92134,5.93913,6.86595,1.28757,613.37,1535.78,1192.78,19.9724,50.0076,38.8389,2327.62,0.5828,0.452637,0.798773,0.0002,0.000155332,3,pcu,unnamed,pcu,unnamed,2,3,-R 3,148,Hf,No,N/A,PACMAN-DDEC6,13.46424557,0.68755197,0.028844424,0.764598285,0.053409258,0.81087525,0.060348007,0.001233233,0.322710355,230,SI,10.1039/d3ce01022h,2024,2024/10/31,RSC,All Solvent Removed,TRUE,458.1,0.65972376,0.89,weak,
999,2023[Zn][nan]3[ASR]14,d3ce01078c2_2_ASR_pacman,-,Brc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d3ce01078c2_2_ASR_pacman,[Zn1_Type-1].[Br][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3ce01078c2_2_ASR_pacman,7.80637,6.90024,7.80637,1.65953,197.369,1065.97,642.334,0,0,0,955.761,0.5162,0.311051,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,"-R 3 2""",166,Zn,Yes,Zn,PACMAN-DDEC6,18.14064824,0.613939978,0.019371604,0.684213417,0.027594351,0.735210401,0.026125839,0.001212704,0.253341451,102,SI,10.1039/d3ce01078c,2023,2023/12/29,RSC,All Solvent Removed,TRUE,359.7,0.26100248,0.645,superweak,
1000,2023[Zn][nan]3[ASR]15,d3ce01078c2_3_ASR_pacman,-,Clc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d3ce01078c2_3_ASR_pacman,[Zn1_Type-1].[Cl][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3ce01078c2_3_ASR_pacman,8.21835,7.31824,8.21835,1.43928,201.982,1105.43,768.049,0,0,0,953.784,0.522,0.362682,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""",166,Zn,Yes,Zn,PACMAN-DDEC6,15.52588353,0.730621595,0.01932151,0.806714119,0.033874092,0.8616137,0.03333053,0.001309921,0.341177438,102,SI,10.1039/d3ce01078c,2023,2023/12/29,RSC,All Solvent Removed,TRUE,280.9,0.6624132,0.625,none,
1001,2023[Zn][nan]3[ASR]16,d3ce01078c2_4_ASR_pacman,-,[O-]C(=O)c1cccc(c1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d3ce01078c2_4_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3ce01078c2_4_ASR_pacman,4.70973,3.97539,4.70747,1.4371,185.398,873.898,608.097,0,0,0,1062.03,0.5006,0.34834,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,13.49970353,0.767344178,0.027671573,0.858900388,0.041258056,0.911186966,0.047750152,0.001438428,0.34236075,136,SI,10.1039/d3ce01078c,2023,2023/12/29,RSC,All Solvent Removed,FALSE,377.1,0.8916732,0.542142857,weak,
1002,2023[Zn][nan]3[ASR]17,d3ce01078c2_5_ASR_pacman,-,Ic1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;d3ce01078c2_5_ASR_pacman,[Zn1_Type-1].[I][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3ce01078c2_5_ASR_pacman,7.41681,6.42624,7.41681,1.85614,187.062,980.561,528.281,0,0,0,963.007,0.5048,0.271963,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,"-R 3 2""",166,Zn,Yes,Zn,PACMAN-DDEC6,20.90538176,0.547224505,0.010539863,0.600525681,0.020185237,0.641334145,0.020819253,0.000941096,0.266977705,102,SI,10.1039/d3ce01078c,2023,2023/12/29,RSC,All Solvent Removed,TRUE,420,0.063321024,0.65,superweak,
1003,2024[Cd][nan]2[ASR]3,d3ce01096a2_2_ASR_pacman,-,O=C(c1cc(cc(c1)C(=O)NCc1cccnc1)C(=O)NCc1cccnc1)NCc1cccnc1.[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.ERROR.cat5;d3ce01096a2_2_ASR_pacman,[C2Cd1O4_Type-1].[O][=C][Branch2][Ring2][#Branch2][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat5;d3ce01096a2_2_ASR_pacman,4.57745,3.18544,4.494,1.26922,0,0,0,776.763,577.817,455.252,6670.46,0.4962,0.390948,0,0,0,2,unnamed,unnamed,unnamed,unnamed,6,3,"R 3 -2""c",161,Cd,Yes,Cd,PACMAN-DDEC6,10.77045132,0.862668355,0.030915061,0.969297299,0.067818388,1.011301494,0.074232987,0.001486331,0.42753973,954,SI,10.1039/d3ce01096a,2024,2024/12/18,RSC,All Solvent Removed,FALSE,270.5,0.40830043,0.93,strong,
1004,2024[Mn][nan]3[ASR]1,d3dt00043e2_ASR_pacman,-,"[Mn].[O-]C(=O)c1ccc(c(c1)C(=O)[O-])c1cc(cc(n1)c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccncc1 MOFid-v1.ERROR,unknown.cat0;d3dt00043e2_ASR_pacman","[Mn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR,UNKNOWN.cat0;d3dt00043e2_ASR_pacman",6.03834,5.58255,6.03834,1.26355,333.85,1075.94,851.521,0,0,0,1478.21,0.4764,0.377034,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2y,12,Mn,Yes,Mn,PACMAN-DDEC6,11.8051634,0.855393851,0.02114669,0.939240671,0.04332319,1.005774825,0.049565367,0.00150381,0.407136369,200,SI,10.1039/d3dt00043e,2024,2024/2/9,RSC,All Solvent Removed,FALSE,458.7,0.8313638,0.64,strong,
1005,2024[Zn][nan]2[ASR]1,d3dt00440f2_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Zn]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)C(=O)[O-])cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn][Zn].c1ccc2c(c1)[nH]c(n2)C=Cc1nc2c([nH]1)cccc2 MOFid-v1.ERROR.cat0;d3dt00440f2_1_ASR_pacman,[C4O8Zn2_Type-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1] MOFid-v2.ERROR.cat0;d3dt00440f2_1_ASR_pacman,6.73649,4.79556,6.28016,0.965113,738.782,1932.31,2002.16,0,0,0,2370.45,0.62,0.642412,0,0,0,2,unstable,unnamed,unstable,unnamed,1,2,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.78653204,0.840460235,0.029802586,0.945840559,0.05517599,1.001985174,0.066943067,0.001615249,0.364091371,206,SI,10.1039/d3dt00440f,2024,2024/3/17,RSC,All Solvent Removed,FALSE,416.1,0.75622207,0.691538462,weak,
1006,2024[Zn][fsc]3[ASR]1,d3dt00440f2_2_ASR_pacman,-,unknown,[C4O8Zn2_Type-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Ring2][NH0][Ring1][=Branch1][C][=C][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1] MOFid-v2.fsc.cat0;d3dt00440f2_2_ASR_pacman,6.73264,5.14775,6.71039,0.819168,1147.46,2283.98,2788.17,0,0,0,3279.64,0.6528,0.796906,0,0,0,3,fsc,unnamed,sqc2246,unnamed,1,2,-C 2yc,15,Zn,Yes,Zn,PACMAN-DDEC6,10.5909706,0.84455366,0.035009359,0.966726735,0.048368172,1.033611686,0.062233038,0.00189058,0.286594271,234,SI,10.1039/d3dt00440f,2024,2024/3/17,RSC,All Solvent Removed,TRUE,475,0.770442,0.5692,weak,
1007,2024[Ni][sql]2[ASR]3,d3dt00976a2_ASR_pacman,-,C1CN2CCN1CC2.[Ni].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;d3dt00976a2_ASR_pacman,[C2Ni1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;d3dt00976a2_ASR_pacman,4.30395,3.76836,4.30395,1.23331,40.817,904.983,733.782,0,0,0,213.876,0.4742,0.384493,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Ni,Yes,Ni,PACMAN-DDEC6,9.053547027,0.992042996,0.057491854,1.079003367,0.087493411,1.207515653,0.079625514,0.002154727,0.338699706,37,SI,10.1039/d3dt00976a,2024,2024/5/10,RSC,All Solvent Removed,FALSE,362,0.9084671,0.659655172,superstrong_high_loading,
1008,2024[Cu][nan]3[ASR]1,d3dt00979c2_ASR_pacman,-,unknown,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][Branch2][Ring1][Branch2][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3dt00979c2_ASR_pacman,7.63524,6.19785,7.62881,1.03168,920.577,1980.36,1919.55,0,0,0,3015.04,0.6486,0.628684,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2bc 2,64,Cu,Yes,Cu,PACMAN-DDEC6,13.12761673,0.798210095,0.017466438,0.867023923,0.037878648,0.926345871,0.044954696,0.001281358,0.415384745,220,SI,10.1039/d3dt00979c,2024,2024/6/9,RSC,All Solvent Removed,FALSE,278.5,0.5952313,0.765,weak,
1009,2024[Ni][nan]3[ASR]1,d3dt01028g2_ASR_pacman,-,O=C(c1cc(cc(c1)C(=O)Nc1ccncc1)C(=O)Nc1ccncc1)Nc1ccncc1.[Ni].[O-]C(=O)c1ccc(c(c1)S([O])([O])[O])C(=O)[O-] MOFid-v1.unknown.cat0;d3dt01028g2_ASR_pacman,unknown,9.33118,5.24845,9.33118,0.894638,537.96,1882.87,2104.62,0,0,0,1791.99,0.6272,0.701065,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 1,2,Ni,Yes,Ni,PACMAN-DDEC6,10.76431385,0.892519472,0.028215812,1.018051248,0.046416433,1.071063528,0.061473525,0.001785441,0.368973889,143,SI,10.1039/d3dt01028g,2024,2024/4/25,RSC,All Solvent Removed,FALSE,296.5,0.8781756,0.815,none,
1010,2024[Co][pcu]3[ASR]1,d3dt01053h2_ASR_pacman,-,O=C(Nc1ccncc1)Nc1ccncc1.[Co].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.pcu.cat0;d3dt01053h2_ASR_pacman,[C4Co2O8_Type-2].[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;d3dt01053h2_ASR_pacman,4.97849,3.67499,4.97148,1.26962,174.853,651.033,512.778,0,0,0,1189.26,0.4428,0.348766,0,0,0,3,pcu,unnamed,pcu,unnamed,3,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,9.686177642,0.938343136,0.035411644,1.053193732,0.073565056,1.107227827,0.088159177,0.001688847,0.44182515,212,SI,10.1039/d3dt01053h,2024,2024/5/29,RSC,All Solvent Removed,FALSE,341.7,0.5763191,0.807285304,weak,
1011,2024[Co][nan]3[ASR]1,d3dt01104f2_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)n1cncc1.[O].n1ccn(c1)c1ccc(cc1)C1=NN=N[N]1 MOFid-v1.unknown.cat0;d3dt01104f2_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1].[OH0].[N][C][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=N][NH0][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;d3dt01104f2_ASR_pacman,9.66687,9.25347,9.66686,1.24756,312.725,1103.57,884.581,0,0,0,1425.95,0.5032,0.403347,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 2 -2c,45,Co,Yes,Co,PACMAN-DDEC6,11.3243266,0.828032872,0.03365833,0.911123661,0.061152395,0.962032944,0.061994495,0.001340001,0.431396242,188,SI,10.1039/d3dt01104f,2024,2024/5/9,RSC,All Solvent Removed,FALSE,275.5,0.9728614,0.572,strong,
1012,2024[Cu][pcu]3[ASR]1,d3dt01419c2_1_ASR_pacman,-,[Cu][Cu].[O-]C(=O)C12CCC(CC1)(CC2)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.pcu.cat1;d3dt01419c2_1_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][Branch1][Branch1][C][C][Ring1][Branch2][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;d3dt01419c2_1_ASR_pacman,3.55755,2.78705,3.54626,1.43071,0,0,0,4.66029,14.8563,10.3839,1336.32,0.426,0.297754,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2a 2ac,54,Cu,No,N/A,PACMAN-DDEC6,9.130752432,0.956342123,0.053296334,1.055297532,0.071447596,1.178775637,0.050789349,0.002224335,0.284954463,296,SI,10.1039/d3dt01419c,2024,2024/6/23,RSC,All Solvent Removed,FALSE,324.2,0.8472599,0.70022964,strong,
1013,2024[Cu][pcu]3[ASR]2,d3dt01419c2_2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)C12CCC(CC1)(CC2)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.pcu.cat1;d3dt01419c2_2_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][Branch1][Branch1][C][C][Ring1][Branch2][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.pcu.cat1;d3dt01419c2_2_ASR_pacman,3.66665,2.62136,3.64339,1.42371,0,0,0,43.6549,69.2425,48.6351,2603.81,0.413,0.290086,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-I 2b 2c,73,Cu,No,N/A,PACMAN-DDEC6,9.130752432,0.955492188,0.055823524,1.054771769,0.071676232,1.17811965,0.048638109,0.002226275,0.283598419,592,SI,10.1039/d3dt01419c,2024,2024/6/23,RSC,All Solvent Removed,FALSE,364.3,0.8371451,0.70022964,weak,
1014,2024[Zn][sra]3[ASR]1,d3dt01455j2_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1N)N)C(=O)[O-].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)CN1CCN(CC1)Cc1ccncc1 MOFid-v1.sra.cat1;d3dt01455j2_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sra.cat1;d3dt01455j2_ASR_pacman,7.03576,5.263,7.03576,1.00542,948.095,1399.07,1391.53,0,0,0,3788.12,0.559,0.555988,0,0,0,3,sra,abw,sra,abw,4,3,-C 2bc 2,64,Zn,No,N/A,PACMAN-DDEC6,8.692650847,0.989305245,0.056735966,1.089144046,0.095035338,1.142669449,0.098714003,0.001533642,0.536931534,472,SI,10.1039/d3dt01455j,2024,2024/7/21,RSC,All Solvent Removed,TRUE,292.2,0.7829044,0.291875,weak,
1015,2024[Co][nan]3[ASR]2,d3dt01783d2_ASR_pacman,-,Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co][O]1[Co][O]([Co]1)[Co].[O-]C(=O)c1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;d3dt01783d2_ASR_pacman,[C6Co4O14_Type-1].[N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d3dt01783d2_ASR_pacman,6.42474,4.90193,6.33522,0.997151,621.365,1824.78,1829.99,0,0,0,2053.31,0.603,0.604723,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Co,No,N/A,PACMAN-DDEC6,11.61801841,0.849712305,0.028683309,0.953648132,0.053906422,0.997117525,0.066625174,0.001474052,0.417574384,176,SI,10.1039/d3dt01783d,2024,2024/9/20,RSC,All Solvent Removed,FALSE,365.7,0.9045262,0.554333333,weak,
1016,2024[Eu][nan]3[ASR]1,d3dt01830j2_2_ASR_pacman,-,[Eu].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;d3dt01830j2_2_ASR_pacman,[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3dt01830j2_2_ASR_pacman,5.36977,4.23592,5.36415,1.24064,439.918,1561.28,1258.45,0,0,0,1585.23,0.5626,0.453477,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Eu,Yes,Eu,PACMAN-DDEC6,12.83627024,0.72918593,0.026954622,0.827146361,0.039029489,0.872375682,0.053093184,0.001431898,0.30840519,164,SI,10.1039/d3dt01830j,2024,2024/8/3,RSC,All Solvent Removed,FALSE,370.1,0.8551623,0.84,none,
1017,2024[La][nan]3[ASR]1,d3dt01830j2_3_ASR_pacman,-,[La].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;d3dt01830j2_3_ASR_pacman,[La2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3dt01830j2_3_ASR_pacman,5.4596,4.30696,5.45606,1.17971,471.371,1631.23,1382.73,0,0,0,1652.31,0.5718,0.484694,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,La,Yes,La,PACMAN-DDEC6,12.51776951,0.753912558,0.027254896,0.853956204,0.04021478,0.896289011,0.052718194,0.001423765,0.336401673,164,SI,10.1039/d3dt01830j,2024,2024/8/3,RSC,All Solvent Removed,FALSE,400.7,0.914781,0.93,none,
1018,2024[Zn][bnn]3[ASR]1,d3dt02522e1_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1cncc(c1)c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.unknown,ERROR.cat0;d3dt02522e1_ASR_pacman","[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,ERROR.cat0;d3dt02522e1_ASR_pacman",4.89324,3.67818,4.88959,1.32296,67.9958,707.786,535.002,0,0,0,446.525,0.4648,0.351334,0,0,0,3,bnn,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,10.62985944,0.866605762,0.031166806,0.979300588,0.063845681,1.028209331,0.073888368,0.001616036,0.392426065,72,SI,10.1039/d3dt02522e,2024,2024/9/26,RSC,All Solvent Removed,TRUE,315.8,0.13274175,0.23,weak,
1019,2024[Cu][lvt]3[ASR]1,d3dt02834h2_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc(cc1)C#Cc1cc(C#Cc2ccc(cc2)C(=O)[O-])c(cc1C#Cc1ccc(cc1)C(=O)[O-])C#Cc1ccc(cc1)C(=O)[O-] MOFid-v1.lvt.cat1;d3dt02834h2_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][Branch2][Ring1][C][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][P][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lvt.cat1;d3dt02834h2_ASR_pacman,9.31744,7.45975,9.31744,0.629812,3665.7,2234.72,3548.23,0,0,0,12174.6,0.7422,1.17845,0,0,0,3,lvt,unnamed,lvt,unnamed,2,3,-C 2bc 2,64,Cu,Yes,Cu,PACMAN-DDEC6,11.10970743,0.892373188,0.025300702,0.970265751,0.045508419,1.047084048,0.063478607,0.001547109,0.428419651,560,SI,10.1039/d3dt02834h,2024,2024/10/7,RSC,All Solvent Removed,FALSE,342,0.23797897,0.465,weak,
1020,2024[Co][sql]2[ASR]2,d3dt03466f2_1_ASR_pacman,-,[Co].[O-]C(=O)c1cc(COc2cccc(c2)C(=O)O)cc(c1)C(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.sql.cat1;d3dt03466f2_1_ASR_pacman,[C2Co1O4_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][Ring2][=C][Ring1][P][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d3dt03466f2_1_ASR_pacman,4.64806,4.22285,4.63628,1.23449,210.765,702.734,569.252,0,0,0,1386.84,0.4624,0.374569,0,0,0,2,sql,unnamed,sql,unnamed,2,2,P 2 2ab,18,Co,No,N/A,PACMAN-DDEC6,9.290277917,0.976637359,0.038675765,1.089999157,0.073242139,1.139174331,0.087519193,0.00162537,0.499724214,240,SI,10.1039/d3dt03466f,2024,2024/12/28,RSC,All Solvent Removed,TRUE,265.9,0.69356084,0.75,weak,
1021,2024[Zn][sql]2[ASR]4,d3dt03466f2_2_ASR_pacman,-,[O-]C(=O)c1cc(COc2cccc(c2)C(=O)O)cc(c1)C(=O)[O-].[Zn].n1ccc(cc1)CCc1ccncc1 MOFid-v1.sql.cat1;d3dt03466f2_2_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][Ring2][=C][Ring1][P][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;d3dt03466f2_2_ASR_pacman,4.65353,4.1972,4.65353,1.24597,205.021,682.04,547.398,0,0,0,1372.54,0.4566,0.366462,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 2 2ab,18,Zn,No,N/A,PACMAN-DDEC6,9.397724667,0.962586326,0.03950239,1.072654683,0.074710285,1.122333046,0.087138197,0.001597467,0.493411163,240,SI,10.1039/d3dt03466f,2024,2024/12/28,RSC,All Solvent Removed,TRUE,329.9,0.7947396,0.693418011,weak,
1022,2024[Zn][hex]3[ASR]1,d3dt03959e2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)c1c2CCC[CH]c2c(c2c1nc1ccccc1n2)c1ccncc1.n1ccc(cc1)c1c2nc3ccccc3nc2c(c2c1cccc2)c1ccncc1 MOFid-v1.hex.cat0;d3dt03959e2_2_ASR_pacman,[C6O12Zn3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][C][C][CH1][C][Ring1][=Branch1][=C][Branch1][P][C][=C][Ring1][#Branch2][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][#Branch2][=C][Branch1][O][C][=C][Ring1][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.hex.cat0;d3dt03959e2_2_ASR_pacman,6.71711,4.38612,6.55369,0.944033,1504.42,1989.99,2107.97,0,0,0,4703.78,0.6222,0.659087,0,0,0,3,hex,unnamed,hex,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,10.9079069,0.848178605,0.030562728,0.966211269,0.045131831,1.034431515,0.059094619,0.001862529,0.297721944,394,SI,10.1039/d3dt03959e,2024,2024/12/15,RSC,All Solvent Removed,TRUE,378.7,0.87564653,0.94806485,weak,
1023,2024[Cd][nan]2[ASR]4,d3nj04122k2_ASR_pacman,-,"[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)O)C(=O)[O-].c1ccc2c(c1)c([C](c1ccncc1)c1ccncc1)c1c(c2[C](c2ccncc2)c2ccncc2)cccc1 MOFid-v1.sql,bex.cat1;d3nj04122k2_ASR_pacman",unknown,5.67885,4.2365,5.53076,1.37981,484.645,872.659,632.45,0,0,0,2582.45,0.465,0.337004,0,0,0,2,unnamed,unnamed,unnamed,unnamed,2,2,P 2ac 2ab,19,Cd,No,N/A,PACMAN-DDEC6,11.09301423,0.846207484,0.027968678,0.943430446,0.059446027,0.997960572,0.068827589,0.001517531,0.398063693,416,SI,10.1039/d3nj04122k,2024,2024/11/7,RSC,All Solvent Removed,FALSE,379.7,0.1956214,0.759574468,strong,
1024,2024[Tb][tfz]3[ASR]1,d3qi00103b2_3_ASR_pacman,-,"F[Tb].F[Tb]F.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Tb] MOFid-v1.unknown,ERROR.cat0;d3qi00103b2_3_ASR_pacman","[C12F8O24Tb6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN,ERROR.cat0;d3qi00103b2_3_ASR_pacman",9.97794,9.08835,9.96433,1.01079,1529.28,1983.55,1962.37,0,0,0,5389.17,0.699,0.691537,4.6259,0.0006,0.000593594,3,tfz-d,unnamed,tfz-d,unnamed,1,2,-P 6c 2,193,Tb,No,N/A,PACMAN-DDEC6,16.52486173,0.629102431,0.021159118,0.690791042,0.034673104,0.725343332,0.041713151,0.000962409,0.34490245,284,SI,10.1039/d3qi00103b,2024,2024/2/8,RSC,All Solvent Removed,TRUE,382.8,0.53686154,0.64,weak,
1025,2024[CeCu][nan]3[ASR]1,d3qi00235g2_ASR_pacman,-,[Cu].[O-]C(=O)C1=C([N]N=C1C(=O)[O-])C(=O)[O-].[O-]C(=O)[C]1C(=NN=C1C(=O)[O-])C(=O)[O-].[O-]C(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)[O-].[OH2][Ce] MOFid-v1.ERROR.cat0;d3qi00235g2_ASR_pacman,[Ce2_Type-1].[Cu1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][O][NH0][N][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][CH0][C][=Branch1][O][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][Cl][Cl][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3qi00235g2_ASR_pacman,6.2867,5.20836,5.99773,1.75597,143.744,1336.43,761.077,0,0,0,550.698,0.512,0.291576,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,"Ce,Cu",Yes,Cu,PACMAN-DDEC6,21.06292148,0.616722933,0.008098765,0.668805168,0.012191249,0.715158348,0.012915107,0.000984354,0.322371532,54,SI,10.1039/d3qi00235g,2024,2024/3/21,RSC,All Solvent Removed,FALSE,352.8,0.38103175,0.768,weak,
1026,2024[Cd][nan]3[ASR]4,d3qi00343d2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;d3qi00343d2_ASR_pacman,[C6Cd3O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3qi00343d2_ASR_pacman,15.78894,14.91482,15.78716,0.772912,2567.98,1834.57,2373.59,0,0,0,10240.7,0.7316,0.946551,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Cd,Yes,Cd,PACMAN-DDEC6,13.08288145,0.719935354,0.025616602,0.821594534,0.037309973,0.87021995,0.051757745,0.001502846,0.277920528,498,SI,10.1039/d3qi00343d,2024,2024/4/5,RSC,All Solvent Removed,FALSE,344.4,0.87289834,0.76,weak,
1027,2024[Cd][nan]3[ASR]5,d3qi00428g2_ASR_pacman,-,O=C(Nc1ccncc1)Nc1ccncc1.[Cd].[O-]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.pcu.cat1;d3qi00428g2_ASR_pacman,[C6Cd3O12_Type-1].[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;d3qi00428g2_ASR_pacman,7.4251,5.63106,7.4251,1.12437,614.203,1599.42,1422.49,0,0,0,2251.11,0.5862,0.521357,0,0,0,3,mismatch,unnamed,mismatch,unnamed,2,2,-P 1,2,Cd,Yes,Cd,PACMAN-DDEC6,11.9275455,0.786517083,0.027393462,0.892128381,0.042823301,0.945310604,0.058955684,0.001587935,0.318874699,218,SI,10.1039/d3qi00428g,2024,2024/5/4,RSC,All Solvent Removed,FALSE,345.1,0.90497494,0.66,strong,
1028,2024[Zn][srs]3[ASR]1,d3qi01092a2_1_ASR_pacman,-,C1=NC=C2C(=[N]=C[N]2)[N]1.[Zn] MOFid-v1.srs.cat0;d3qi01092a2_1_ASR_pacman,unknown,4.86043,4.2216,4.86043,1.13409,237.079,2194.02,1934.62,0,0,0,691.132,0.6396,0.563979,0,0,0,3,srs,unnamed,srs,unnamed,1,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,14.19108615,0.715937371,0.020874648,0.768484333,0.035356379,0.862122158,0.049696701,0.001461848,0.270534532,52,SI,10.1039/d3qi01092a,2024,2024/7/13,RSC,All Solvent Removed,FALSE,401.3,0.943076,0.549375,weak,
1029,2024[Zn][srs]3[ASR]2,d3qi01092a2_2_ASR_pacman,-,C1=NC=C2C(=NC=N2)[N]1.[Zn] MOFid-v1.srs.cat0;d3qi01092a2_2_ASR_pacman,[Zn1_Type-1].[C][=N][C][=C][C][=Branch1][=Branch1][=N][C][=N][Ring1][Branch1][NH0][Ring1][=Branch2] MOFid-v2.srs.cat0;d3qi01092a2_2_ASR_pacman,4.80398,4.2195,4.80398,1.13862,240.281,2232.54,1960.74,0,0,0,685.798,0.6372,0.559626,0,0,0,3,srs,unnamed,srs,unnamed,1,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,14.19108615,0.717845658,0.020444085,0.772801638,0.035149183,0.86555125,0.049764091,0.001477056,0.268429943,52,SI,10.1039/d3qi01092a,2024,2024/7/13,RSC,All Solvent Removed,FALSE,400,0.9437917,0.549375,weak,
1030,2024[Zn][lig]3[ASR]1,d3qi01092a2_4_ASR_pacman,-,C1=NC=C2C(=[N]=C[N]2)[N]1.C1=Nc2c([N]1)ncnc2.[Zn] MOFid-v1.lig.cat0;d3qi01092a2_4_ASR_pacman,unknown,7.52222,4.33825,7.52222,1.13029,418.002,1927.7,1705.49,0,0,0,1396.01,0.6438,0.569589,0,0,0,3,lig,unnamed,lig,unnamed,1,3,I -4,82,Zn,Yes,Zn,PACMAN-DDEC6,14.19108615,0.716407383,0.019717727,0.786242525,0.031865756,0.883305266,0.04621257,0.001668979,0.211175798,104,SI,10.1039/d3qi01092a,2024,2024/7/13,RSC,All Solvent Removed,FALSE,353.1,0.9468117,0.569375,weak,
1031,2024[Cd][nia]3[ASR]1,d3qi01417g2_3_ASR_pacman,-,"F[Cd].[Cd].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.nia-d,acs.cat0;d3qi01417g2_3_ASR_pacman",unknown,9.39189,4.95806,9.38483,0.920364,946.574,2259.62,2455.13,0,0,0,2881.26,0.6878,0.747313,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Cd,No,N/A,PACMAN-DDEC6,13.19209504,0.74168129,0.027610148,0.836825277,0.037336045,0.902732234,0.055287846,0.001610509,0.2634013,176,SI,10.1039/d3qi01417g,2024,2024/8/29,RSC,All Solvent Removed,TRUE,358.2,0.7259672,0.713076923,weak,
1032,2024[Zn][nia]3[ASR]1,d3qi01417g2_4_ASR_pacman,-,"F[Zn].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.nia-d,acs.cat0;d3qi01417g2_4_ASR_pacman",unknown,8.59472,4.47227,8.5762,0.932478,787.883,2169.12,2326.19,0,0,0,2344.99,0.6456,0.692348,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Zn,No,N/A,PACMAN-DDEC6,11.58876549,0.834799114,0.031966367,0.930383788,0.060674744,0.989079077,0.070341394,0.0015428,0.378107454,176,SI,10.1039/d3qi01417g,2024,2024/8/29,RSC,All Solvent Removed,TRUE,379.7,0.675578,0.638666667,weak,
1033,2024[Cd][nan]3[ASR]6,d3qi01954c2_ASR_pacman,-,O=CN(C)C.[Cd].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=C(c1ccc(cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;d3qi01954c2_ASR_pacman,[Cd1_Type-1].[O][=C][N][Branch1][C][C][C].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Branch1][#Branch1][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;d3qi01954c2_ASR_pacman,9.929,7.41692,8.49449,0.840714,4300.75,1676.4,1994.02,0,0,0,16942.4,0.6604,0.785523,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2n 2ab,60,Cd,Yes,Cd,PACMAN-DDEC6,10.40748333,0.841027171,0.037592298,0.929827618,0.073982312,0.980155488,0.079395696,0.001391283,0.430054318,1248,SI,10.1039/d3qi01954c,2024,2024/11/10,RSC,All Solvent Removed,FALSE,392.9,0.34159255,0.75,none,
1034,2023[CuTi][nan]3[ASR]1,d3sc00877k2_2_ASR_pacman,-,OC(=O)c1cc(cc(c1)n1cncc1)n1cncc1.[Cu] MOFid-v1.dia.cat1;d3sc00877k2_2_ASR_pacman,unknown,6.05836,5.06464,6.05504,1.11021,1484.89,1690.92,1523.06,0,0,0,4915.9,0.5598,0.504229,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,"Cu,Ti",No,N/A,PACMAN-DDEC6,11.11956999,0.903704266,0.024938706,1.008342998,0.057917006,1.060610667,0.068027848,0.001569064,0.441713572,528,SI,10.1039/d3sc00877k,2023,2023/4/3,RSC,All Solvent Removed,FALSE,357.4,0.9222902,0.8,strong,
1035,2023[CuTi][nan]3[ASR]2,d3sc00877k2_3_ASR_pacman,-,OC(=O)c1cc(cc(c1)n1cncc1)n1cncc1.[Cu] MOFid-v1.dia.cat1;d3sc00877k2_3_ASR_pacman,unknown,5.93912,4.91288,5.93616,1.12043,724.175,1664.5,1485.59,0,0,0,2395.5,0.5506,0.491419,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,"Cu,Ti",No,N/A,PACMAN-DDEC6,11.11956999,0.904612168,0.025503553,1.01041339,0.057722499,1.06034628,0.067409671,0.001557341,0.446721217,264,SI,10.1039/d3sc00877k,2023,2023/4/3,RSC,All Solvent Removed,FALSE,356.5,0.9398689,0.8,strong,
1036,2023[Sc][bpq]3[ASR]1,d3sc00904a2_14_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[OH].[Sc] MOFid-v1.rna.cat0;d3sc00904a2_14_ASR_pacman,[Sc2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.rna.cat0;d3sc00904a2_14_ASR_pacman,5.96067,5.71458,5.96067,0.951349,352,1545.58,1624.62,0,0,0,1341.43,0.589,0.619121,0,0,0,3,bpq,unnamed,rna,unnamed,2,3,-C 2b 2,67,Sc,No,N/A,PACMAN-DDEC6,10.52243781,0.954814442,0.03065313,1.059608658,0.058346965,1.119973195,0.075059353,0.001651588,0.466743129,124,SI,10.1039/d3sc00904a,2023,2023/6/19,RSC,All Solvent Removed,FALSE,516,0.5419311,0.31,weak,
1037,2023[Sc][bpq]3[ASR]2,d3sc00904a2_4_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[OH].[Sc] MOFid-v1.rna.cat0;d3sc00904a2_4_ASR_pacman,[Sc2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.rna.cat0;d3sc00904a2_4_ASR_pacman,5.90322,5.71238,5.90322,0.933059,369.322,1590.46,1704.57,0,0,0,1386.3,0.597,0.639831,0,0,0,3,bpq,unnamed,rna,unnamed,2,3,-C 2b 2,67,Sc,No,N/A,PACMAN-DDEC6,10.52243781,0.947753189,0.03157038,1.058274578,0.057098238,1.115847245,0.074636762,0.001680941,0.452295804,124,SI,10.1039/d3sc00904a,2023,2023/6/19,RSC,All Solvent Removed,FALSE,516.2,0.53397864,0.31,weak,
1038,2023[Cd][dia]3[ASR]2,d3ta01574b2_2_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C=Nc1ccc(cc1)n1cncc1 MOFid-v1.dia.cat1;d3ta01574b2_2_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.dia.cat1;d3ta01574b2_2_ASR_pacman,4.13995,2.95076,4.13995,1.4381,0,0,0,44.273,138.317,96.1806,1290.57,0.4032,0.28037,0,0,0,3,dia,unnamed,dia,unnamed,8,3,-P 2a 2bc,52,Cd,No,N/A,PACMAN-DDEC6,10.04352406,0.868398313,0.036046293,0.973350165,0.072339662,1.026139137,0.085470945,0.001577408,0.403869654,276,SI,10.1039/d3ta01574b,2023,2023/4/24,RSC,All Solvent Removed,TRUE,331.4,0.9269326,0.89,strong,
1039,2024[Cu][srs]3[ASR]1,d3ta01930f2_1_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)n1ccnc1c1nccn1c1ccc(cc1)C(=O)[O-] MOFid-v1.srs.cat0;d3ta01930f2_1_ASR_pacman,unknown,5.43377,4.85694,5.43377,1.24497,197.255,816.315,655.692,0,0,0,1167.12,0.483,0.387962,0,0,0,3,srs,unnamed,srs,unnamed,1,2,P 2ac 2ab,19,Cu,Yes,Cu,PACMAN-DDEC6,10.06467111,0.907463147,0.034642531,1.022819224,0.068637115,1.06819203,0.0816838,0.001607289,0.436940378,180,SI,10.1039/d3ta01930f,2024,2024/5/22,RSC,All Solvent Removed,FALSE,309.8,0.7832263,0.71,strong,
1040,2024[Ni][fes]2[ASR]1,d3ta01930f2_2_ASR_pacman,-,[Ni].[O-]C(=O)c1ccc(cc1)n1ccnc1c1nccn1c1ccc(cc1)C(=O)[O-] MOFid-v1.fes.cat0;d3ta01930f2_2_ASR_pacman,unknown,5.90426,4.22577,5.85775,1.21444,193.081,787.89,648.77,0,0,0,1168.94,0.477,0.392775,0,0,0,2,fes,unnamed,fes,unnamed,1,3,-P 2ybc,14,Ni,Yes,Ni,PACMAN-DDEC6,9.956835556,0.916217653,0.035198979,1.044396112,0.070273346,1.083378207,0.083174364,0.001671606,0.429602051,180,SI,10.1039/d3ta01930f,2024,2024/5/22,RSC,All Solvent Removed,FALSE,401.2,0.7932944,0.59,superstrong_high_loading,
1041,2024[Zn][fes]2[ASR]1,d3ta01930f2_3_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)n1ccnc1c1nccn1c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.fes.cat0;d3ta01930f2_3_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fes.cat0;d3ta01930f2_3_ASR_pacman,5.87904,4.42765,5.87904,1.26663,199.233,867.949,685.245,0,0,0,1105.49,0.4816,0.380223,0,0,0,2,fes,unnamed,fes,unnamed,1,2,-P 2ybc,14,Zn,Yes,Zn,PACMAN-DDEC6,10.67594341,0.874409369,0.026054812,0.986629614,0.058538531,1.036561121,0.069434671,0.001621518,0.398335569,164,SI,10.1039/d3ta01930f,2024,2024/5/22,RSC,All Solvent Removed,FALSE,366.9,0.9220222,0.52,strong,
1042,2023[Zn][nan]3[ASR]18,d3ta02167j2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn][Zn].n1ccc(cc1)C1=CN2N(S1)C=C(S2)c1ccncc1.n1ccc(cc1)c1nc2c(s1)nc(s2)c1ccncc1 MOFid-v1.unknown.cat0;d3ta02167j2_2_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][N][Branch1][Ring2][S][Ring1][Branch1][C][=C][Branch1][Ring2][S][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][=C][Branch1][Ring2][S][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;d3ta02167j2_2_ASR_pacman,6.0665,4.22099,6.0665,1.1164,1594.67,1425.55,1276.92,0,0,0,6125.66,0.5476,0.490507,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Zn,No,N/A,PACMAN-DDEC6,11.12490805,0.873961935,0.026787781,0.999252679,0.042768353,1.050754691,0.061786025,0.001767928,0.355881789,676,SI,10.1039/d3ta02167j,2023,2023/8/23,RSC,All Solvent Removed,FALSE,421.9,0.9388487,0.547211538,weak,
1043,2023[Cd][dmp]3[ASR]1,d3ta03300g2_2_ASR_pacman,-,unknown,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][C][=C][C][=C][C][=Ring1][=Branch1][C][=Branch1][=N][=C][C][=Ring1][N][C][C][=C][C][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][=C][C][=Branch1][#C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.dmp.cat0;d3ta03300g2_2_ASR_pacman,5.89449,2.45759,5.89039,1.15375,0,0,0,364.814,991.738,859.58,1876.79,0.5102,0.442212,0,0,0,3,dmp,unnamed,dmp,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,10.14210286,0.861367377,0.038324456,0.966813762,0.071185634,1.017625458,0.086001806,0.001562581,0.401698914,252,SI,10.1039/D3TA03300G,2023,2023/7/18,RSC,All Solvent Removed,TRUE,373.7,0.96798444,0.819545455,weak,
1044,2024[Fe][bpq]3[ASR]1,d3ta04403c2_ASR_pacman,-,O=C1c2ccc3c4c2c(C(=O)N1n1cnnc1)ccc4C(=O)N(C3=O)n1cnnc1.[Fe].[O] MOFid-v1.rna.cat0;d3ta04403c2_ASR_pacman,[Fe1_Type-1].[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][=Branch1][C][=O][N][Ring1][O][N][C][=N][N][=C][Ring1][Branch1][=C][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring2][Ring1][Ring1][=O][N][C][=N][N][=C][Ring1][Branch1].[OH0] MOFid-v2.rna.cat0;d3ta04403c2_ASR_pacman,3.99564,3.68069,3.99564,1.75621,14.6731,164.335,93.5738,0,0,0,273.398,0.3062,0.174353,0,0,0,3,bpq,unnamed,rna,unnamed,2,3,-C 2b 2,67,Fe,No,N/A,PACMAN-DDEC6,11.803793,0.860343762,0.018793022,0.963513586,0.039394854,1.014321886,0.046461231,0.001539781,0.407136314,80,SI,10.1039/d3ta04403c,2024,2024/9/22,RSC,All Solvent Removed,TRUE,304.3,0.12686822,0.52,strong,
1045,2024[In][nan]3[ASR]1,d3ta05242g2_ASR_pacman,-,[In].[O-]C(=O)c1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C=O MOFid-v1.unknown.cat1;d3ta05242g2_ASR_pacman,unknown,5.11087,4.28919,5.03477,1.20628,1195.57,1600.94,1327.17,0,0,0,4135.75,0.5538,0.459096,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-P 2ybc,14,In,Yes,In,PACMAN-DDEC6,12.91660457,0.782403665,0.021955789,0.873772204,0.033657661,0.93993227,0.04869001,0.001575286,0.31401926,420,SI,10.1039/d3ta05242g,2024,2024/11/2,RSC,All Solvent Removed,FALSE,371.9,0.8419789,0.469411765,weak,
1046,2023[V][sea]3[ASR]1,d3ta05297d2_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O].[V] MOFid-v1.unknown.cat0;d3ta05297d2_2_ASR_pacman,[V2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=C][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.UNKNOWN.cat0;d3ta05297d2_2_ASR_pacman,5.93115,5.17612,5.7886,1.02943,310.252,1397,1357.06,0,0,0,1297.41,0.5842,0.567497,0,0,0,3,sea,unnamed,unnamed,unnamed,1,3,-P 2 2ab,55,V,No,N/A,PACMAN-DDEC6,10.75599563,0.892872666,0.030327423,0.990669418,0.05775843,1.045637602,0.06440179,0.001527649,0.441715954,128,SI,10.1039/d3ta05297d,2023,2023/11/17,RSC,All Solvent Removed,TRUE,448.9,0.8853718,0.42,weak,
1047,2024[Zn][pcu]3[ASR]1,d3ta06197c2_1_ASR_pacman,-,[O-]C(=O)c1ccc2-c3c(Cc2c1)cc(cc3)C(=O)[O-].[Zn][OH]([Zn][OH]([Zn])[Zn])[Zn] MOFid-v1.ERROR.cat0;d3ta06197c2_1_ASR_pacman,[C8H2O18Zn5_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3ta06197c2_1_ASR_pacman,14.37106,10.64638,14.37106,0.466253,3423.64,1754.38,3762.71,0,0,0,16150.5,0.8276,1.775,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-P 2ab 2ac,56,Zn,Yes,Zn,PACMAN-DDEC6,11.70770222,0.818664781,0.024566829,0.909875928,0.039049455,0.982022014,0.049439974,0.001633572,0.33177059,468,SI,10.1039/d3ta06197c,2024,2024/12/9,RSC,All Solvent Removed,FALSE,330.8,0.5869015,0.36,strong,
1048,2024[Zn][pcu]3[ASR]2,d3ta06197c2_3_ASR_pacman,-,[O-]C(=O)c1ccc2-c3c(Cc2c1)cc(cc3)C(=O)[O-].[Zn][O]1([Zn])[Zn]23[Zn]1([O]2([Zn])[Zn])[O]3([Zn])[Zn] MOFid-v1.ERROR.cat0;d3ta06197c2_3_ASR_pacman,[C12O27Zn8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;d3ta06197c2_3_ASR_pacman,14.46267,10.01487,14.46267,0.648133,5516.1,1721.47,2656.05,0,0,0,24211.6,0.7556,1.16581,0,0,0,3,pcu,unnamed,pcu,unnamed,1,2,"-R 3 2""c",167,Zn,No,N/A,PACMAN-DDEC6,12.04836948,0.806733815,0.026370187,0.906183001,0.036175532,0.975124569,0.040463766,0.001683908,0.306646155,1038,SI,10.1039/d3ta06197c,2024,2024/12/9,RSC,All Solvent Removed,FALSE,358.8,0.9396555,0.68,weak,
1049,2024[Zn][pcu]3[ASR]3,d3ta06197c2_4_ASR_pacman,-,[O-]C(=O)c1ccc2-c3c(Cc2c1)cc(cc3)C(=O)[O-].[Zn][OH]([Zn]([OH]([Zn])[Zn])[OH]([Zn])[Zn])[Zn] MOFid-v1.pcu.cat1;d3ta06197c2_4_ASR_pacman,[C12H3O27Zn7_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;d3ta06197c2_4_ASR_pacman,8.10628,4.95434,8.10628,1.2079,1678.93,1509.9,1250.03,0,0,0,6089,0.5476,0.45335,0,0,0,3,pcu,unnamed,pcu,unnamed,2,2,"-R 3 2""c",167,Zn,Yes,Zn,PACMAN-DDEC6,11.5543528,0.826831069,0.023348517,0.93735487,0.032294352,1.004806062,0.043484831,0.00177975,0.30008486,700,SI,10.1039/d3ta06197c,2024,2024/12/9,RSC,All Solvent Removed,FALSE,391.7,0.7557354,0.662018102,weak,
1050,2024[Zr][flu]3[ASR]1,d3tc03606e2_4_ASR_pacman,-,"[O-]C(=O)c1c[n-]n(c1)C(n1[n-]cc(c1)C(=O)[O-])c1ccc(cc1)C(n1[n-]cc(c1)C(=O)[O-])n1[n-]cc(c1)C(=O)[O-].[OH]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[OH]3[Zr]35[OH]6[Zr]2([OH]71)[OH]43 MOFid-v1.flu,flt.cat0;d3tc03606e2_4_ASR_pacman",unknown,8.14938,5.73016,8.0885,0.850103,1648.3,2386.08,2806.82,0,0,0,5027.62,0.7278,0.856132,5.52638,0.0008,0.000941063,3,flu,unnamed,flt,unnamed,1,3,-C 2bc 2,64,Zr,Yes,Zr,PACMAN-DDEC6,13.60181723,0.764499324,0.019424049,0.840516595,0.027308042,0.919403289,0.03087941,0.00154904,0.299309193,260,SI,10.1039/d3tc03606e,2024,2024/12/22,RSC,All Solvent Removed,FALSE,364.4,0.41420218,0.9,none,
1051,2023[Co][sql]2[ASR]2,d3ya00378g2_ASR_pacman,-,C1CN2CCN1CC2.Oc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co] MOFid-v1.sql.cat1;d3ya00378g2_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;d3ya00378g2_ASR_pacman,4.31235,2.86438,4.21222,1.13099,0,0,0,86.0439,834.284,737.661,542.696,0.5262,0.465258,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2yb,11,Co,Yes,Co,PACMAN-DDEC6,9.242643026,0.982671891,0.052308808,1.070351507,0.091717424,1.130159455,0.107076929,0.001474876,0.544854471,76,SI,10.1039/d3ya00378g,2023,2023/10/10,RSC,All Solvent Removed,FALSE,362.9,0.9275389,0.609655172,strong,
1052,2017[Ag][dia]3[ASR]1,es7b00339_si_002_ASR_pacman,-,[Ag].c1ncn(c1)c1ccc(cc1)C(c1ccc(cc1)n1cncc1)(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.dia.cat3;es7b00339_si_002_ASR_pacman,[Ag1_Type-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.dia.cat3;es7b00339_si_002_ASR_pacman,4.58322,3.5471,4.58322,1.37041,532.557,686.369,500.85,0,0,0,3682.45,0.4746,0.34632,0,0,0,3,dia,unnamed,dia,unnamed,8,3,P 4n 2c -1n,133,Ag,Yes,Ag,PACMAN-DDEC6,10.6721096,0.781001988,0.041998271,0.850585341,0.078175201,0.922567192,0.080073113,0.001415652,0.355906626,600,SI,10.1021/acs.est.7b00339,2017,2017/3/3,ACS,All Solvent Removed,TRUE,336.6,0.26395315,0.57,weak,
1053,2018[Cd][sql]2[ASR]1,fchem201800306_1_ASR_pacman,-,[Cd].[O-]C(=O)c1cccc(c1)c1ccncc1 MOFid-v1.sql.cat1;fchem201800306_1_ASR_pacman,[La1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring2][#Branch1][=C][Branch2][Ring1][Ring2][C][=Ring2][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.kew.cat0;FAZGEW_ASR_pacman,7.78375,6.60456,7.73758,1.02975,476.501,1451.87,1409.93,0,0,0,1989.53,0.6062,0.588686,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 6 2,177,Cd,No,N/A,PACMAN-DDEC6,10.82565617,0.832426626,0.033033905,0.940926029,0.068290073,0.981347468,0.079716705,0.001489208,0.397010431,188,SI,10.3389/fchem.2018.00306,2018,2018/7/24,Other,All Solvent Removed,FALSE,368.5,0.8248112,0.641538462,weak,
1054,2018[Co][sql]2[ASR]1,fchem201800306_2_ASR_pacman,-,[Co].[O-]C(=O)c1cccc(c1)c1ccncc1 MOFid-v1.sql.cat1;fchem201800306_2_ASR_pacman,[La1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring2][#Branch1][=C][Branch2][Ring1][Ring2][C][=Ring2][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.kew.cat0;FAZGIA_ASR_pacman,7.61466,6.26784,7.40533,0.955836,458.619,1449.42,1516.39,0,0,0,1780.78,0.5628,0.588804,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 6 2,177,Co,No,N/A,PACMAN-DDEC6,9.687830532,0.93914579,0.039653793,1.057050482,0.076435761,1.094130407,0.090776749,0.001549846,0.487662719,188,SI,10.3389/fchem.2018.00306,2018,2018/7/24,Other,All Solvent Removed,FALSE,423.9,0.90647995,0.68,none,
1055,2018[Ni][sql]2[ASR]2,fchem201800306_3_ASR_pacman,-,[Ni].[O-]C(=O)c1cccc(c1)c1ccncc1 MOFid-v1.sql.cat1;fchem201800306_3_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][Br][Br][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.muo.cat0;FAZPON_ASR_pacman,7.55291,6.22098,7.55291,0.963414,454.912,1449.87,1504.93,0,0,0,1767.73,0.5634,0.584796,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 6c,176,Ni,No,N/A,PACMAN-DDEC6,9.682728511,0.93582092,0.039687789,1.052711306,0.077795258,1.090169707,0.091801891,0.001543488,0.486013224,188,SI,10.3389/fchem.2018.00306,2018,2018/7/24,Other,All Solvent Removed,FALSE,424.5,0.9131671,0.712,weak,
1056,2018[Zn][sql]2[ASR]6,fchem201800306_4_ASR_pacman,-,[O-]C(=O)c1cccc(c1)c1ccncc1.[Zn] MOFid-v1.sql.cat1;fchem201800306_4_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;fchem201800306_1_ASR_pacman,7.69017,6.24677,7.66282,0.962909,462.716,1452.59,1508.55,0,0,0,1908.72,0.5992,0.622281,0,0,0,2,sql,unnamed,sql,unnamed,2,3,P 2ac 2ab,19,Zn,Yes,Zn,PACMAN-DDEC6,9.824996596,0.926367882,0.038188795,1.041942187,0.075408862,1.076945712,0.087708248,0.001505778,0.488062846,188,SI,10.3389/fchem.2018.00306,2018,2018/7/24,Other,All Solvent Removed,FALSE,373.6,0.6289854,0.663879549,none,
1057,2018[Zn][sql]2[ASR]7,fchem201800306_5_ASR_pacman,-,[O-]C(=O)c1cccc(c1)c1ccncc1.[Zn] MOFid-v1.sql.cat1;fchem201800306_5_ASR_pacman,[C2Co1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;fchem201800306_2_ASR_pacman,7.757,6.37092,7.73363,0.95214,467.238,1450.39,1523.29,0,0,0,1944.48,0.6036,0.633941,0,0,0,2,sql,unnamed,sql,unnamed,2,2,P 2ac 2ab,19,Zn,No,N/A,PACMAN-DDEC6,9.824996596,0.922880088,0.0379258,1.043587535,0.076088286,1.075600409,0.088461528,0.001527203,0.479501562,188,SI,10.3389/fchem.2018.00306,2018,2018/7/24,Other,All Solvent Removed,FALSE,374.2,0.6262348,0.663879549,weak,
1058,2004[Cu][mog]3[ASR]2,ic048812+si20040826_035032_ASR_pacman,-,[Cu].[O-]C(=O)c1csc(n1)c1ccncc1 MOFid-v1.mog.cat0;ic048812+si20040826_035032_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.mog.cat0;ic048812+si20040826_035032_ASR_pacman,5.40296,2.98188,5.39387,1.38697,0,0,0,305.027,447.935,322.959,3084.76,0.453,0.326611,0,0,0,3,mog,unnamed,mog,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,12.15313846,0.848932471,0.021442591,0.963149005,0.03486235,1.020068529,0.04650252,0.001711361,0.345073797,468,SI,10.1021/ic048812+,2004,2004/10/8,ACS,All Solvent Removed,FALSE,349.9,0.8872957,0.71679803,strong,
1059,2006[Cd][nan]3[ASR]4,ic051810ksi20060220_094504_ASR_pacman,-,[Cd].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.dia.cat0;ic051810ksi20060220_094504_ASR_pacman,unknown,6.93992,5.87782,6.93992,1.26346,1237.42,2197.77,1739.49,0,0,0,3711.54,0.6592,0.521744,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4cw 2c,95,Cd,Yes,Cd,PACMAN-DDEC6,18.46540621,0.625161096,0.009125043,0.690609685,0.019975891,0.740603255,0.022157689,0.001154422,0.281410458,232,SI,10.1021/ic051810k,2006,2006/3/30,ACS,All Solvent Removed,FALSE,406.7,0.913579,0.37,strong,
1060,2010[Zn][pyr]3[ASR]1,ic101935f_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)NC1=NC(=[N]=C([N]1)Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pyr.cat0;ic101935f_si_002_ASR_pacman,unknown,13.58014,8.80376,13.5128,0.408029,4215.06,2080.78,5099.59,0,0,0,17214.5,0.8498,2.08269,0,0,0,3,pyr,unnamed,pyr,unnamed,1,3,R 3,146,Zn,No,N/A,PACMAN-DDEC6,11.62938692,0.85135042,0.009802263,0.95973245,0.016017712,1.071622651,0.010296445,0.002202722,0.189949031,428,SI,10.1021/ic101935f,2010,2010/11/17,ACS,All Solvent Removed,FALSE,329.7,0.7995517,0.31,weak,manual curation
1061,2011[V][sra]3[ASR]2,ic200463k_si_002_1_ASR_pacman,-,[O-]C(=O)CCP(=O)([O])[O].[V] MOFid-v1.fes.cat0;ic200463k_si_002_1_ASR_pacman,[C1O2V1_Type-1].[O-1][C][=Branch1][C][=O][C][C][P][=Branch1][C][=O][Branch1][C][OH0][OH0] MOFid-v2.fes.cat0;ic200463k_si_002_1_ASR_pacman,4.18946,2.64927,3.99857,1.41408,0,0,0,64.8645,683.709,483.502,484.224,0.5104,0.360942,0,0,0,3,sra,abw,sra,abw,1,3,-P 2ybc,14,V,Yes,V,PACMAN-DDEC6,14.42686586,0.834160893,0.019610138,0.926443933,0.041663469,0.954950156,0.046566902,0.001207893,0.482422573,56,SI,10.1021/ic200463k,2011,2011/5/10,ACS,All Solvent Removed,FALSE,317.9,0.87800837,0.12,none,
1062,2011[Zn][pcu]3[ASR]8,ic2017598_si_001_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat0;ic2017598_si_001_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;ic2017598_si_001_ASR_pacman,14.86745,7.89338,14.8041,0.609156,932.413,2221.36,3646.62,0,0,0,3350.43,0.7982,1.31034,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,P 1,1,Zn,No,N/A,PACMAN-DDEC6,14.52574113,0.678106373,0.02710335,0.77871654,0.025178445,0.883869693,0.018065353,0.002057633,0.060059245,106,SI,10.1021/ic2017598,2011,2011/10/10,ACS,All Solvent Removed,FALSE,412.8,0.92755973,0.09,weak,manual curation
1063,2012[Co][sqp]3[ASR]2,ic202769e_si_002_ASR_pacman,-,[Co].[O-]C(=O)COCC(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.unknown.cat0;ic202769e_si_002_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;ic202769e_si_002_ASR_pacman,5.53082,4.05182,5.47464,1.47192,172.909,711.955,483.692,0,0,0,1097.27,0.4518,0.306946,0,0,0,3,sqp,unnamed,sqp,unnamed,1,3,-P 2n 2ab,60,Co,No,N/A,PACMAN-DDEC6,11.21236313,0.891433087,0.033508057,0.968090703,0.062919356,1.027308583,0.068233383,0.001358755,0.486713222,192,SI,10.1021/ic202769e,2012,2012/4/13,ACS,All Solvent Removed,FALSE,187,0.92480385,0.560190476,weak,
1064,2012[Cd][uoc]3[ASR]1,ic300665a_si_002_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)[O-].n1ccc(cc1)c1ccncc1 MOFid-v1.uoc.cat0;ic300665a_si_002_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.uoc.cat0;ic300665a_si_002_ASR_pacman,6.77072,6.40962,6.77072,1.06856,934.082,1320.79,1236.05,0,0,0,3951.91,0.5588,0.522949,0,0,0,3,uoc,unnamed,uoc,unnamed,5,3,P 4nw 2abw,96,Cd,Yes,Cd,PACMAN-DDEC6,10.34286909,0.86912024,0.032485192,0.985142637,0.047509102,1.049971849,0.061350503,0.001808516,0.335097611,440,SI,10.1021/ic300665a,2012,2012/8/23,ACS,All Solvent Removed,FALSE,326.4,0.93622184,0.66,strong,
1065,2013[ZnMn][nan]3[ASR]1,ic3019502_si_002_ASR_pacman,-,O=C=O.[Mn].[O-]C(=O)c1ccc(cc1)C1=C2C=CC(=C(c3ccc(cc3)C(=O)[O-])C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccc(cc1)C(=O)[O-])[N]4)c1ccc(cc1)C(=O)[O-])C=C3)[N]2.[Zn][Zn] MOFid-v1.ERROR.cat0;ic3019502_si_002_ASR_pacman,[C4O8Zn2_Type-1].[Mn1_Type-1].[O][=C][=O].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][#Branch1][Branch2][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=N][C][=Branch2][Branch1][O][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][O][=C][N][=C][Ring2][Ring1][O][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH0][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring2][Ring1][NH0][Ring2][Branch1][C] MOFid-v2.ERROR.cat0;ic3019502_si_002_ASR_pacman,8.03478,4.99407,8.03478,0.817121,451.27,2097.94,2567.48,0,0,0,1476.03,0.6862,0.839778,0,0,0,3,unstable,unnamed,unnamed,unnamed,1,3,-I 4 2,139,"Zn,Mn",Yes,Zn,PACMAN-DDEC6,11.38110973,0.832136041,0.033661538,0.91983607,0.050523995,0.977983644,0.064133972,0.001458476,0.399518645,93,SI,10.1021/ic3019502,2013,2013/3/21,ACS,All Solvent Removed,TRUE,362,0.31109676,0.467859178,weak,
1066,2013[La][nan]3[ASR]3,ic401157n_si_002_ASR_pacman,-,O=C(c1cc(cc(c1)C(=O)Nc1ccc(cc1)C(=O)[O-])C(=O)Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-].[La] MOFid-v1.unknown.cat0;ic401157n_si_002_ASR_pacman,[La4_Type-2].[O][=C][Branch2][Branch1][=Branch1][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic401157n_si_002_ASR_pacman,8.06565,5.57702,8.0107,0.920261,2072.17,2040.79,2217.62,0,0,0,6461.83,0.6364,0.691543,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,La,No,N/A,PACMAN-DDEC6,11.53088672,0.827472807,0.027028828,0.923420386,0.052783573,0.972246305,0.064978741,0.001447735,0.401005923,488,SI,10.1021/ic401157n,2013,2013/6/21,ACS,All Solvent Removed,FALSE,427.8,0.94279146,0.89,superstrong_high_loading,
1067,2013[Y][nan]3[ASR]1,ic401157n_si_003_ASR_pacman,-,O=C(c1cc(cc(c1)C(=O)Nc1ccc(cc1)C(=O)[O-])C(=O)Nc1ccc(cc1)C(=O)[O-])Nc1ccc(cc1)C(=O)[O-].[Y] MOFid-v1.unknown.cat0;ic401157n_si_003_ASR_pacman,[Y2_Type-1].[O][=C][Branch2][Branch1][=Branch1][C][=C][C][=Branch2][Ring1][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic401157n_si_003_ASR_pacman,8.35731,5.62923,8.07789,0.801467,1259.83,2326.55,2902.87,0,0,0,3591.22,0.6632,0.827483,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Y,Yes,Y,PACMAN-DDEC6,10.71122082,0.898049229,0.028555906,0.996488253,0.057728619,1.051847305,0.070989625,0.001537981,0.443834997,244,SI,10.1021/ic401157n,2013,2013/6/21,ACS,All Solvent Removed,FALSE,382,0.47461435,0.71,strong,
1068,2013[Cd][nan]3[ASR]6,ic402058f_si_002_ASR_pacman,-,unknown,[Cd3_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic402058f_si_002_ASR_pacman,5.69824,4.37718,5.69186,1.37492,175.62,557.542,405.509,108.379,344.071,250.249,1587.55,0.504,0.366567,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-P 2yc,13,Cd,Yes,Cd,PACMAN-DDEC6,12.41941143,0.77539717,0.023889705,0.86881806,0.048566397,0.91586972,0.058452402,0.001404725,0.36170773,210,SI,10.1021/ic402058f,2013,2013/10/16,ACS,All Solvent Removed,FALSE,394.7,0.85566926,0.79,strong,
1069,2013[Cd][nan]3[ASR]7,ic402058f_si_003_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)Oc1cc(cc(c1)Oc1ccc(cc1)C(=O)[O-])Oc1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;ic402058f_si_003_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic402058f_si_003_ASR_pacman,5.35161,4.38377,5.27161,1.32744,354.924,1087.87,819.525,0,0,0,1706.31,0.523,0.393991,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2yc,13,Cd,Yes,Cd,PACMAN-DDEC6,12.41941143,0.775195823,0.023618681,0.869314773,0.049004788,0.911561482,0.060212642,0.001363657,0.374744221,210,SI,10.1021/ic402058f,2013,2013/10/16,ACS,All Solvent Removed,FALSE,371.3,0.9097041,0.83,strong,
1070,2013[Cd][nan]3[ASR]8,ic402058f_si_005_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)Oc1cc(cc(c1)Oc1ccc(cc1)C(=O)[O-])Oc1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;ic402058f_si_005_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic402058f_si_005_ASR_pacman,5.71449,4.11592,5.71449,1.40487,324.927,527.009,375.131,182.248,295.594,210.407,3063.02,0.4968,0.353628,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,12.41941143,0.77478108,0.023297966,0.871199142,0.048540561,0.918736428,0.059021057,0.001439553,0.351061837,420,SI,10.1021/ic402058f,2013,2013/10/16,ACS,All Solvent Removed,FALSE,388.9,0.89393926,0.76,unknown,
1071,2013[Cu][sqc]2[ASR]1,ic402280p_si_003_ASR_pacman,-,[CH]1C=NN=N1.[Cu].[Cu][OH]([Cu][OH]([Cu])[Cu])[Cu].[N]1C=CN=N1.[O-]C(=O)c1cc(cc(c1)S([O])([O])[O])C(=O)[O-] MOFid-v1.ERROR.cat1;ic402280p_si_003_ASR_pacman,unknown,5.3892,3.85349,5.37732,1.76952,226.202,513.362,290.113,0,0,0,1989.88,0.4516,0.25521,0,0,0,2,sqc27,unnamed,sqc27,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,15.44553474,0.738824528,0.011688172,0.81390054,0.025075989,0.85973321,0.030609739,0.001209087,0.380972375,304,SI,10.1021/ic402280p,2013,2013/12/16,ACS,All Solvent Removed,FALSE,225.2,0.7046824,0.884907801,none,
1072,2013[Zn][nan]3[ASR]8,ic402692p_si_002_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.unknown.cat0;ic402692p_si_002_ASR_pacman,[C4O8Zn1_Type-1].[C7O15Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic402692p_si_002_ASR_pacman,7.5478,6.22346,7.54706,1.12902,1102.75,2012.05,1782.12,0,0,0,3508.77,0.6402,0.56704,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 -2d,43,Zn,No,N/A,PACMAN-DDEC6,15.65645311,0.736344682,0.013564159,0.822984006,0.024349112,0.872043424,0.027910734,0.001356987,0.335511775,238,SI,10.1021/ic402692p,2013,2013/12/27,ACS,All Solvent Removed,TRUE,350.6,0.5347837,0.378155172,weak,
1073,2014[Cu][bcu]3[ASR]2,ic5008457_si_002_ASR_pacman,-,[Cu].[N][N][N].n1ccc(cc1)C1=NN=N[N]1.n1ccc(cc1)C1=N[N]N=N1 MOFid-v1.bcu.cat0;ic5008457_si_002_ASR_pacman,unknown,5.94852,4.82606,5.79039,0.950428,665.738,2217.4,2333.05,0,0,0,1938.91,0.6458,0.679483,0,0,0,3,bcu,unnamed,bcu,unnamed,1,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,12.45211652,0.817523721,0.022634949,0.891935588,0.037738032,0.940923666,0.048487577,0.001233999,0.451561186,138,SI,10.1021/ic5008457,2014,2014/7/1,ACS,All Solvent Removed,FALSE,270.7,0.115275085,0.5,weak,
1074,2014[Zn][sql]2[ASR]1,ic501477u_si_004_ASR_pacman,-,NNC(=O)NN=C(c1ccncc1)C.[Zn] MOFid-v1.sql.cat1;ic501477u_si_004_ASR_pacman,[Zn1_Type-1].[N][N][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C] MOFid-v2.sql.cat1;ic501477u_si_004_ASR_pacman,5.08449,3.85921,5.08449,0.882708,607.921,1788.13,2025.73,0,0,0,2111.93,0.6212,0.703744,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,8.858660392,0.981391823,0.063613489,1.080863827,0.115617606,1.127341278,0.111070513,0.001459495,0.552375877,204,SI,10.1021/ic501477u,2014,2014/11/18,ACS,All Solvent Removed,FALSE,318.7,0.27547008,0.46,weak,
1075,2014[Cd][rtl]3[ASR]1,ic501801f_si_002_ASR_pacman,-,CC(=O)N(C)C.[Cd].[O-]C(=O)c1c(C)c(C)c(c(c1C)C)B(c1c(C)c(C)c(c(c1C)C)C(=O)[O-])c1c(C)c(C)c(c(c1C)C)C(=O)[O-] MOFid-v1.sql.cat0;ic501801f_si_002_ASR_pacman,unknown,7.60747,3.9467,7.60747,0.921866,1021.04,1782.09,1933.13,0,0,0,3436.54,0.5998,0.650637,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,8.596575135,0.996332543,0.067921688,1.039278654,0.130212379,1.095176473,0.123624759,0.000988439,0.697642135,370,SI,10.1021/ic501801f,2014,2014/10/10,ACS,All Solvent Removed,FALSE,344.1,0.96877396,0.69,unknown,
1076,2014[Zn][bcs]3[ASR]1,ic501801f_si_003_ASR_pacman,-,Cc1cc(C)c(c(c1C)B(c1c(C)c(C)c(c(c1C)C)C(=O)[O-])c1c(C)c(C)c(c(c1C)C)C(=O)[O-])C.[Zn] MOFid-v1.bcs.cat0;ic501801f_si_003_ASR_pacman,[C6O12Zn3_Type-1].[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][B][Branch2][Ring1][#Branch2][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][C][C][C][=Branch1][C][=O][O-1][C] MOFid-v2.bcs.cat0;ic501801f_si_003_ASR_pacman,7.15079,6.5153,7.14534,0.88298,3309.8,1305.2,1478.17,110.092,43.4141,49.1676,14221.1,0.5608,0.635122,0,0,0,3,bcs,unnamed,bcs,unnamed,1,3,-I 4bd 2c 3,230,Zn,Yes,Zn,PACMAN-DDEC6,7.490997067,1.104282736,0.081123397,1.151814359,0.153699324,1.216868272,0.145225328,0.001125855,0.76360575,1800,SI,10.1021/ic501801f,2014,2014/10/10,ACS,All Solvent Removed,FALSE,484.3,0.83837235,0.66,weak,
1077,2014[Cu][nan]3[ASR]13,ic501849g_si_002_ASR_pacman,-,O=C(N1CCCC1C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.unknown.cat0;ic501849g_si_002_ASR_pacman,[C4Cu2O8_Type-1].[O][=C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic501849g_si_002_ASR_pacman,6.89711,4.73934,6.89711,1.13021,800.513,1704.57,1508.19,0,0,0,2750.14,0.5856,0.518133,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,C 2y,5,Cu,Yes,Cu,PACMAN-DDEC6,11.92688657,0.84912827,0.021525144,0.933327914,0.03825092,0.992852678,0.046121944,0.001437244,0.422067527,268,SI,10.1021/ic501849g,2014,2014/10/31,ACS,All Solvent Removed,FALSE,286.5,0.37782598,0.305,weak,
1078,2014[Co][sql]2[ASR]1,ic501898x_si_003_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;ic501898x_si_003_ASR_pacman,[C8Co3O16_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;ic501898x_si_003_ASR_pacman,5.48015,4.51833,5.47397,1.32509,434.356,997.307,752.632,0,0,0,2107.96,0.484,0.365257,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,12.15198141,0.863663801,0.018514878,0.971235829,0.043913719,1.03056967,0.045849994,0.001669059,0.370985889,286,SI,10.1021/ic501898x,2014,2014/12/4,ACS,All Solvent Removed,FALSE,335.8,0.94545555,0.688,weak,
1079,2014[Co][nan]3[ASR]14,ic501898x_si_004_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;ic501898x_si_004_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic501898x_si_004_ASR_pacman,4.62095,2.70825,4.57922,1.4088,0,0,0,325.582,768.711,545.648,1963.55,0.4636,0.329074,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw -1bw,88,Co,No,N/A,PACMAN-DDEC6,12.47685095,0.846448119,0.018811407,0.955366788,0.042240507,1.006893751,0.046783864,0.001604456,0.374676509,288,SI,10.1021/ic501898x,2014,2014/12/4,ACS,All Solvent Removed,TRUE,372.8,0.89984745,0.583076923,weak,
1080,2014[Mn][nan]3[ASR]6,ic501898x_si_005_ASR_pacman,-,[Mn].[O-]C(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;ic501898x_si_005_ASR_pacman,[Mn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic501898x_si_005_ASR_pacman,4.55831,2.84168,4.54106,1.38601,0,0,0,331.9,777.868,561.228,1996,0.4678,0.337515,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw -1bw,88,Mn,No,N/A,PACMAN-DDEC6,12.36587456,0.855733022,0.018617303,0.964995455,0.042347376,1.015539963,0.048015657,0.001598069,0.386098521,288,SI,10.1021/ic501898x,2014,2014/12/4,ACS,All Solvent Removed,TRUE,414.2,0.93820095,0.613076923,weak,
1081,2015[CeCo][nan]3[ASR]1,ic5021302_si_002_1_ASR_pacman,-,[Ce].[Co].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-] MOFid-v1.unknown.cat0;ic5021302_si_002_1_ASR_pacman,[C6Ce1O12_Type-1].[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic5021302_si_002_1_ASR_pacman,7.40912,5.15618,5.96846,1.03321,546.434,918.303,888.784,555.826,934.087,904.06,3650.02,0.6134,0.593682,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,"Ce,Co",No,N/A,PACMAN-DDEC6,12.5082475,0.808578897,0.016843779,0.905515306,0.023978678,0.982697911,0.0322659,0.00174119,0.289514158,296,SI,10.1021/ic5021302,2015,2015/2/25,ACS,All Solvent Removed,FALSE,360.1,0.8639102,0.9205,none,
1082,2015[PrCo][nan]3[ASR]1,ic5021302_si_002_2_ASR_pacman,-,[Co].[O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)[O-].[Pr] MOFid-v1.unknown.cat0;ic5021302_si_002_2_ASR_pacman,[C6O12Pr1_Type-1].[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic5021302_si_002_2_ASR_pacman,7.305,5.12042,5.93268,1.04456,1109.54,1883.48,1803.14,0,0,0,3611.1,0.613,0.586849,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,"Pr,Co",No,N/A,PACMAN-DDEC6,12.51894547,0.798707943,0.020221071,0.890699127,0.034563613,0.956371019,0.045399076,0.001576631,0.330105261,296,SI,10.1021/ic5021302,2015,2015/2/25,ACS,All Solvent Removed,FALSE,359.9,0.8738825,0.9405,strong,
1083,2014[Co][nan]2[ASR]2,ic5025197_si_003_ASR_pacman,-,[Co].c1ccc2-c(cc1)c(cc2c1ccncc1)c1ccncc1.n1ccc(cc1)c1ccncc1 MOFid-v1.hcb.cat0;ic5025197_si_003_ASR_pacman,unknown,5.78409,4.97221,5.78268,1.02464,416.762,1200.48,1171.62,0,0,0,1885.09,0.543,0.529945,0,0,0,2,unstable,unnamed,unstable,unnamed,3,3,-P 2ybc,14,Co,Yes,Co,PACMAN-DDEC6,10.1043116,0.911494958,0.03485121,1.023978003,0.072945867,1.050146517,0.084506525,0.001386516,0.509926037,212,SI,10.1021/ic5025197,2014,2014/12/18,ACS,All Solvent Removed,FALSE,344,0.21749479,0.677381993,unknown,
1084,2015[Th][nan]3[ASR]2,ic502725y_si_003_ASR_pacman,-,unknown,[Th2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic502725y_si_003_ASR_pacman,3.44816,2.66794,3.27841,2.12456,0,0,0,0.86996,9.93324,4.67544,344.192,0.393,0.18498,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Th,No,N/A,PACMAN-DDEC6,16.97781758,0.597265513,0.019554564,0.670940247,0.035334317,0.702329527,0.04179852,0.00105064,0.289121048,66,SI,10.1021/ic502725y,2015,2015/2/10,ACS,All Solvent Removed,TRUE,372.1,0.58049786,0.4,weak,
1085,2015[V][bpq]3[ASR]1,ic502730y_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH].[V] MOFid-v1.rna.cat0;ic502730y_si_002_ASR_pacman,[V4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.rna.cat0;ic502730y_si_002_ASR_pacman,6.89356,6.68644,6.89356,1.03024,486.093,1624.46,1576.78,0,0,0,1873.21,0.626,0.607627,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-P 2c 2b,57,V,No,N/A,PACMAN-DDEC6,12.21388421,0.850903775,0.029193996,0.929436329,0.0485244,1.006971513,0.061672908,0.001560677,0.382866791,152,SI,10.1021/ic502730y,2015,2015/1/21,ACS,All Solvent Removed,FALSE,384.2,0.45542032,0.39,weak,
1086,2015[Zn][sod]3[ASR]1,ic5028256_si_002_ASR_pacman,-,CC1=NC=C[N]1.CC1=N[CH]C=N1.[Zn] MOFid-v1.sod.cat0;ic5028256_si_002_ASR_pacman,[Zn1_Type-1].[C][C][=N][C][=C][NH0][Ring1][Branch1].[C][C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.sod.cat0;ic5028256_si_002_ASR_pacman,11.38092,3.3255,11.01119,0.933117,344.892,1419.3,1521.03,0,0,0,1574.17,0.6478,0.694232,0,0,0,3,sod,unnamed,sod,unnamed,1,3,I -4 2 3,217,Zn,No,N/A,PACMAN-DDEC6,9.894426087,0.9203064,0.025116755,1.019442359,0.023853242,1.157722544,0.02186693,0.002374161,0.201533932,138,SI,10.1021/ic5028256,2015,2015/2/23,ACS,All Solvent Removed,TRUE,247.1,0.9143095,0.971052632,weak,
1087,2015[Zr][fcu]3[ASR]2,ic5b00096_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.fcu.cat0;ic5b00096_ASR_pacman,[C12H4O32Zr6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;ic5b00096_ASR_pacman,12.59507,5.60823,12.59507,0.755193,4233.11,2269.54,3005.25,0,0,0,13414.4,0.7192,0.952339,3.73036,0.0002,0.000264833,3,fcu,unnamed,fcu,unnamed,1,3,P 1,1,Zr,No,N/A,PACMAN-DDEC6,12.18756598,0.815820067,0.008590029,0.921583393,0.008124333,1.027059604,0.00689091,0.002112395,0.182149307,696,SI,10.1021/acs.inorgchem.5b00096,2015,2015/2/26,ACS,All Solvent Removed,FALSE,397.1,0.234604,0.719,weak,manual curation
1088,2015[Zn][dia]3[ASR]2,ic5b00130_si_002_ASR_pacman,-,[O-]C(=O)CCC(C(=O)[O-])NC(=O)N.[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.sql.cat0;ic5b00130_si_002_ASR_pacman,[C2O4Zn1_Type-2].[O-1][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][N].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat0;ic5b00130_si_002_ASR_pacman,5.9439,5.18128,5.9327,1.3408,123.124,570.371,425.396,0,0,0,944.204,0.4374,0.326223,0,0,0,3,dia,unnamed,dia,unnamed,4,3,P 2 2ab,18,Zn,No,N/A,PACMAN-DDEC6,9.472593913,0.96583896,0.041925133,1.077063415,0.078738687,1.125074946,0.088263301,0.00159236,0.498666489,184,SI,10.1021/acs.inorgchem.5b00130,2015,2015/4/8,ACS,All Solvent Removed,FALSE,315.1,0.39082175,0.652327381,superstrong_high_loading,
1089,0000[Cu][hex]3[ASR]1,ic5b00561_si_002_4_ASR_pacman,-,[Cu][OH]([Cu])[Cu].[O-]C(=O)c1ccc(cc1)n1cnnc1 MOFid-v1.hex.cat1;ic5b00561_si_002_4_ASR_pacman,[C12Cu3H9N12O9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1] MOFid-v2.hex.cat1;ic5b00561_si_002_4_ASR_pacman,6.49783,5.01262,6.49783,1.24166,582.068,1133.07,912.544,0,0,0,2653.81,0.5166,0.416055,0,0,0,3,hex,unnamed,hex,unnamed,2,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,11.29760824,0.848576837,0.026667428,0.952050921,0.052919587,1.001337714,0.067199637,0.001527609,0.399325423,340,SI,10.1021/acs.inorgchem.5b00561,unknown,unknown,ACS,All Solvent Removed,TRUE,223.7,0.6022066,0.646688312,unknown,
1090,2016[Ga][nan]3[ASR]1,ic5b02108_si_002_1_ASR_pacman,-,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ic5b02108_si_002_1_ASR_pacman,[Ga1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ic5b02108_si_002_1_ASR_pacman,7.194,7.0599,7.194,1.21033,441.236,1609.08,1329.45,0,0,0,1620.62,0.591,0.488296,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,Ga,No,N/A,PACMAN-DDEC6,13.87985333,0.77852157,0.021471056,0.876999616,0.037181082,0.917607196,0.041234573,0.001390856,0.370909768,144,SI,10.1021/acs.inorgchem.5b02108,2016,2016/3/23,ACS,All Solvent Removed,FALSE,375,0.55325526,0.837237762,weak,
1091,2016[Ga][nan]3[ASR]2,ic5b02108_si_002_2_ASR_pacman,-,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ic5b02108_si_002_2_ASR_pacman,[Ga1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ic5b02108_si_002_2_ASR_pacman,7.09268,6.95959,7.09268,1.23553,218.003,1623.11,1313.69,0,0,0,783.039,0.583,0.471863,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,I 4bw 2bw,98,Ga,No,N/A,PACMAN-DDEC6,13.87985333,0.768252099,0.022863788,0.86677316,0.037921252,0.917347006,0.041510448,0.001490949,0.328958585,72,SI,10.1021/acs.inorgchem.5b02108,2016,2016/3/23,ACS,All Solvent Removed,TRUE,351.7,0.51252586,0.837237762,weak,
1092,2016[Ga][nan]3[ASR]3,ic5b02108_si_002_3_ASR_pacman,-,[Ga].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ic5b02108_si_002_3_ASR_pacman,[Ga1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ic5b02108_si_002_3_ASR_pacman,7.12457,6.98882,7.12457,1.23349,427.807,1589.96,1288.99,0,0,0,1578.89,0.5868,0.475722,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,I 4bw 2bw,98,Ga,No,N/A,PACMAN-DDEC6,13.87985333,0.771607266,0.023183065,0.870366485,0.03730301,0.917921723,0.041096535,0.001463145,0.34119789,144,SI,10.1021/acs.inorgchem.5b02108,2016,2016/3/23,ACS,All Solvent Removed,FALSE,374.9,0.55793273,0.837237762,weak,
1093,2015[Sm][sql]2[ASR]1,ic5b02242_si_002_ASR_pacman,-,[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-].[Sm].[Sm][Sm] MOFid-v1.sql.cat0;ic5b02242_si_002_ASR_pacman,[C4O8Sm1_Type-1].[C4O8Sm2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;ic5b02242_si_002_ASR_pacman,6.85822,4.38655,6.85822,1.49163,288.177,1914.96,1283.81,0,0,0,896.001,0.5954,0.399162,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Sm,Yes,Sm,PACMAN-DDEC6,21.121785,0.575012114,0.006962844,0.627353571,0.012435208,0.666255286,0.012982389,0.000912432,0.303522552,64,SI,10.1021/acs.inorgchem.5b02242,2015,2015/12/29,ACS,All Solvent Removed,FALSE,389.3,0.6297331,0.5905,none,
1094,2016[CuSi][sql]2[ASR]1,ic6b00001_si_004_ASR_pacman,-,C[Si]1(CCc2cccnc2)O[Si](C)(CCc2cccnc2)O[Si](O[Si](O1)(C)CCc1cccnc1)(C)CCc1cccnc1.I[Cu]12[Cu]3([Cu]1([Cu]23I)I)I MOFid-v1.sql.cat1;ic6b00001_si_004_ASR_pacman,[Cu4I4_Type-1].[C][Si][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Si][Branch1][C][C][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Si][Branch2][Ring1][=Branch1][O][Si][Branch1][Branch1][O][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] MOFid-v2.sql.cat1;ic6b00001_si_004_ASR_pacman,4.15822,3.45765,4.15822,1.63982,113.46,393.725,240.103,14.0064,48.6047,29.6403,1436.24,0.4984,0.303936,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2yc,13,"Cu,Si",Yes,Cu,PACMAN-DDEC6,14.82145875,0.639280912,0.031339905,0.712254262,0.054431601,0.761682246,0.035988112,0.001224013,0.276001136,192,SI,10.1021/acs.inorgchem.6b00001,2016,2016/3/9,ACS,All Solvent Removed,TRUE,unknown,unknown,unknown,weak,
1095,2016[Ni][nbo]3[ASR]1,ic6b00081_si_001_ASR_pacman,-,unknown,[Ni1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] MOFid-v2.nbo.cat1;ic6b00081_si_001_ASR_pacman,7.28288,5.80469,7.28288,1.16211,335.153,776.945,668.562,0,0,0,2080.08,0.4822,0.414934,0,0,0,3,nbo,unnamed,nbo,unnamed,2,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,9.865573333,0.888659069,0.037474245,0.999447317,0.069906801,1.063017001,0.085302727,0.001743579,0.373455034,306,SI,10.1021/acs.inorgchem.6b00081,2016,2016/4/8,ACS,All Solvent Removed,TRUE,446.4,0.19447112,0.69,weak,
1096,2016[ZnCo][pcu]3[ASR]1,ic6b00276_si_008_ASR_pacman,-,Brc1cc2[CH]N3O[B]4(ON5[Co]6783[O]3c2c(c1)[CH]N1[Co]29%103[O]7c3c([CH]5)cc(cc3[CH]N%10O[B](O1)(ON9[CH]c1c([O]82)c([CH]N6O4)cc(c1)Br)c1ccc(cc1)C(=O)[O-])Br)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1;ic6b00276_si_008_ASR_pacman,unknown,13.57581,11.0805,13.57581,0.64452,4204.13,2192.68,3402.04,0,0,0,15012.8,0.783,1.21486,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2y,12,"Zn,Co",No,N/A,PACMAN-DDEC6,14.47826447,0.708410845,0.016300879,0.798348423,0.025562742,0.85927615,0.037239938,0.001508653,0.260649907,514,SI,10.1021/acs.inorgchem.6b00276,2016,2016/4/1,ACS,All Solvent Removed,TRUE,342.4,0.84316045,0.56,weak,
1097,2016[ZnFe][nan]2[ASR]1,ic6b00276_si_009_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)[B]12ON3C4=C(N5[Fe]6783N(O1)C1=C(N8O[B](ON7C3=C(N6O2)CCCC3)(O5)c2ccc(cc2)C(=O)[O-])CCCC1)CCCC4.[Zn][Zn] MOFid-v1.sql.cat0;ic6b00276_si_009_ASR_pacman,unknown,6.8367,5.86263,6.8367,1.0321,867.293,1677.23,1625.07,0,0,0,3039.5,0.5878,0.56952,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-C 2yc,15,"Zn,Fe",Yes,Zn,PACMAN-DDEC6,9.565210476,0.946823598,0.041080049,1.074260848,0.049511451,1.168725689,0.037633459,0.002219021,0.286612728,336,SI,10.1021/acs.inorgchem.6b00276,2016,2016/4/1,ACS,All Solvent Removed,FALSE,417.7,0.8232137,0.53,weak,
1098,2016[Zn][nan]3[ASR]14,ic6b00894_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)C1=CC=C2N([CH]1)CC([N]2)c1ccc(cc1)c1ccncc1.n1ccc(cc1)C1=CN2C(=NC(C2)c2ccc(cc2)c2ccncc2)C=C1 MOFid-v1.unknown.cat0;ic6b00894_si_002_ASR_pacman,[C2O4Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Branch1][Ring2][CH1][Ring1][=Branch1][C][C][Branch1][Ring2][NH0][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][C][=Branch2][Ring1][#Branch2][=N][C][Branch1][Ring2][C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] MOFid-v2.UNKNOWN.cat0;ic6b00894_si_002_ASR_pacman,6.65423,4.59023,5.66296,1.10689,507.632,1217.74,1100.15,0,0,0,2185.2,0.5242,0.473581,0,0,0,3,unnamed,unnamed,unnamed,unnamed,3,3,C 2y,5,Zn,Yes,Zn,PACMAN-DDEC6,9.853308652,0.91218953,0.036925193,1.019969084,0.068473857,1.073445592,0.078302732,0.001612561,0.437471853,282,SI,10.1021/acs.inorgchem.6b00894,2016,2016/5/26,ACS,All Solvent Removed,TRUE,338.7,0.76663744,0.480684524,unknown,
1099,2016[Ti][srs]3[ASR]1,ic6b01060_si_002_ASR_pacman,-,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Ti] MOFid-v1.srs.cat1;ic6b01060_si_002_ASR_pacman,[C3O6Ti1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.srs.cat1;ic6b01060_si_002_ASR_pacman,6.25402,4.56727,6.25402,0.748874,4283.51,3561.41,4755.68,0,0,0,8866.72,0.7372,0.984411,0,0,0,3,srs,unnamed,srs,unnamed,2,3,I -4bd 2c 3,220,Ti,No,N/A,PACMAN-DDEC6,13.5605528,0.818714728,0.021654371,0.91830347,0.028301641,1.01669463,0.019204004,0.001979799,0.224974618,400,SI,10.1021/acs.inorgchem.6b01060,2016,2016/6/21,ACS,All Solvent Removed,FALSE,311.3,0.72826016,0.35,weak,
1100,2015[Ti][sql]2[ASR]1,ic6b01060_si_003_ASR_pacman,-,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Ti]O[Ti] MOFid-v1.sql.cat0;ic6b01060_si_003_ASR_pacman,[C4O9Ti2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;ic6b01060_si_003_ASR_pacman,4.20028,3.67349,4.15292,1.34829,58.195,945.174,701.016,0,0,0,307.114,0.4988,0.36995,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Ti,Yes,Ti,PACMAN-DDEC6,14.28369029,0.853796589,0.010895271,0.955667701,0.010060014,1.019973266,0.011512112,0.001661767,0.361527483,35,SI,10.1021/acs.inorgchem.5b00096,2015,2015/2/26,ACS,All Solvent Removed,FALSE,284.6,0.7822499,0.4,superstrong_high_loading,
1101,2016[Ni][neb]3[ASR]3,ic6b01569_si_002_1_ASR_pacman,-,[Ni].[O-]C(=O)C=CC=CC(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.neb.cat0;ic6b01569_si_002_1_ASR_pacman,[C2Ni1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.neb.cat0;ic6b01569_si_002_1_ASR_pacman,6.29164,5.43914,6.29164,1.11327,195.736,856.503,769.361,0,0,0,1167.33,0.5108,0.45883,0,0,0,3,neb,unnamed,neb,unnamed,3,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,9.342049756,0.968503976,0.043798649,1.064426852,0.081580805,1.11544719,0.099167963,0.001469432,0.535158093,164,SI,10.1021/acs.inorgchem.6b01569,2016,2016/9/21,ACS,All Solvent Removed,FALSE,242.5,0.9172615,0.805333333,superstrong_high_loading,
1102,2016[Ni][neb]3[ASR]4,ic6b01569_si_002_2_ASR_pacman,-,[Ni].[O-]C(=O)C=CC=CC(=O)[O-].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.neb.cat0;ic6b01569_si_002_2_ASR_pacman,[C2Ni1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.neb.cat0;ic6b01569_si_002_2_ASR_pacman,6.66867,5.80296,6.66331,1.11832,216.463,956.54,855.333,0,0,0,1187.16,0.5246,0.469094,0,0,0,3,neb,unnamed,neb,unnamed,3,3,-C 2yc,15,Ni,Yes,Ni,PACMAN-DDEC6,9.76944,0.939803269,0.037613232,1.037701573,0.077425337,1.086724298,0.092172117,0.00146921,0.507186111,156,SI,10.1021/acs.inorgchem.6b01569,2016,2016/9/21,ACS,All Solvent Removed,FALSE,240.4,0.9300261,0.775333333,none,
1103,2016[Co][sql]2[ASR]5,ic6b01845_si_003_ASR_pacman,-,N#Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Co] MOFid-v1.ERROR.cat0;ic6b01845_si_003_ASR_pacman,[C6Co3O12_Type-1].[N][#C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;ic6b01845_si_003_ASR_pacman,6.44904,4.58464,6.44544,0.957785,644.843,2499,2609.15,0,0,0,1625.65,0.63,0.657767,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-C 2yc,15,Co,Yes,Co,PACMAN-DDEC6,13.78097861,0.823084459,0.01520723,0.919365338,0.027727451,0.952022962,0.032495485,0.001289385,0.446872823,108,SI,10.1021/acs.inorgchem.6b01845,2016,2016/10/7,ACS,All Solvent Removed,FALSE,363.8,0.6067549,0.53625,strong,
1104,2016[Cd][nan]2[ASR]2,ic6b02332_si_002_ASR_pacman,-,unknown,unknown,6.67537,6.00149,6.67537,1.20577,338.914,1087.21,901.676,0,0,0,1561.75,0.501,0.415503,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2yc,13,Cd,No,N/A,PACMAN-DDEC6,10.38307908,0.8662879,0.033956407,0.968545068,0.052962534,1.038344575,0.064556866,0.001720567,0.355527485,218,SI,10.1021/acs.inorgchem.6b02332,2016,2016/11/23,ACS,All Solvent Removed,FALSE,335.7,0.043525457,0.78,weak,
1105,2016[Cd][nan]2[ASR]3,ic6b02332_si_003_ASR_pacman,-,unknown,unknown,6.72757,5.14808,6.72156,1.23484,306.309,981.97,795.22,0,0,0,1520.99,0.4876,0.394869,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 2yc,13,Cd,No,N/A,PACMAN-DDEC6,10.08529374,0.877676536,0.036756788,0.987496766,0.054066981,1.066758268,0.061750668,0.001890817,0.315524461,230,SI,10.1021/acs.inorgchem.6b02332,2016,2016/11/23,ACS,All Solvent Removed,TRUE,331.7,0.052393556,0.76,weak,
1106,2016[Tb][fcu]3[ASR]1,ic6b02413_si_002_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[OH]12[Tb]34[OH]5[Tb]62[OH]2[Tb]71[OH]4[Tb]14[OH]3[Tb]35[OH]6[Tb]2([OH]71)[OH]43 MOFid-v1.fcu.cat0;ic6b02413_si_002_1_ASR_pacman,[C12H8O32Tb6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;ic6b02413_si_002_1_ASR_pacman,13.37735,6.88633,13.37735,0.804274,1141.52,2184.56,2716.19,0,0,0,3909.63,0.7482,0.93028,4.18031,0.0008,0.000994685,3,fcu,unnamed,fcu,unnamed,1,3,-F 4 2 3,225,Tb,No,N/A,PACMAN-DDEC6,14.2184064,0.663643275,0.029596461,0.720168416,0.051218692,0.773244014,0.058520394,0.001096007,0.335415982,178,SI,10.1021/acs.inorgchem.6b02413,2016,2016/12/12,ACS,All Solvent Removed,TRUE,495.2,0.36185917,0.56,weak,
1107,2017[Zn][nan]2[ASR]5,ic6b02518_si_003_ASR_pacman,-,O=C(Nc1ccncc1)Nc1ccncc1.[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.ERROR.cat0;ic6b02518_si_003_ASR_pacman,[C2O4Zn1_Type-1].[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;ic6b02518_si_003_ASR_pacman,8.64683,5.89218,8.64683,1.11639,351.053,1101.16,986.361,0,0,0,1709.42,0.5362,0.480298,0,0,0,2,unstable,unnamed,unstable,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,9.922474444,0.919632374,0.034588529,1.056191786,0.054014596,1.107694644,0.075743951,0.001880623,0.369621656,216,SI,10.1021/acs.inorgchem.6b02518,2017,2017/1/13,ACS,All Solvent Removed,TRUE,355.7,0.9566499,0.437227535,weak,
1108,2016[Zn][nan]3[ASR]15,ic6b02696_si_002_ASR_pacman,-,NC1=NN=N[N]1.[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;ic6b02696_si_002_ASR_pacman,[C1O2Zn1_Type-1].[C2O4Zn1_Type-1].[N][C][=N][N][=N][NH0][Ring1][Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ic6b02696_si_002_ASR_pacman,12.12551,5.06332,12.12551,0.908716,3864.66,2179.66,2398.62,0,0,0,12567.4,0.7088,0.780002,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 3 -1d,203,Zn,No,N/A,PACMAN-DDEC6,13.70399458,0.80464997,0.021633176,0.89324483,0.035376542,0.940244332,0.04780728,0.001355944,0.404799445,708,SI,10.1021/acs.inorgchem.6b02696,2016,2016/12/1,ACS,All Solvent Removed,TRUE,282,0.90906465,0.648709677,weak,
1109,2017[Co][gra]3[ASR]1,ic6b02746_si_002_ASR_pacman,-,[Co].[O-]C(=O)c1c2ccccc2c(c2c1cccc2)C(=O)[O-].c1ncn(c1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.gra.cat0;ic6b02746_si_002_ASR_pacman,[C2Co1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][=Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.gra.cat0;ic6b02746_si_002_ASR_pacman,8.43697,7.72021,8.43697,1.03874,1133.73,1070.95,1031.01,0,0,0,5460.37,0.5158,0.496565,0,0,0,3,gra,unnamed,gra,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,8.997275815,0.953769374,0.04251029,1.089541216,0.067880641,1.154790669,0.085907351,0.002010213,0.36245922,736,SI,10.1021/acs.inorgchem.6b02746,2017,2017/2/15,ACS,All Solvent Removed,FALSE,384.9,0.21550623,0.95,weak,
1110,2017[Fe][kag]3[ASR]1,ic6b02883_si_002_ASR_pacman,-,[Fe].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccncc1 MOFid-v1.ERROR.cat0;ic6b02883_si_002_ASR_pacman,[C4Fe2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;ic6b02883_si_002_ASR_pacman,15.13602,13.61044,15.13602,0.799776,662.789,1773.16,2217.07,0,0,0,2511.87,0.672,0.840235,0,0,0,3,kag,unnamed,kag,unnamed,1,3,-P 6,175,Fe,No,N/A,PACMAN-DDEC6,11.11288593,0.874290474,0.034991814,0.982185747,0.048616343,1.044075608,0.064766775,0.001697851,0.37260264,162,SI,10.1021/acs.inorgchem.6b02883,2017,2017/3/3,ACS,All Solvent Removed,TRUE,285.6,0.9632541,0.41,weak,
1111,2017[Gd][mog]3[ASR]1,ic6b03147_si_002_ASR_pacman,-,unknown,unknown,4.69826,2.59583,4.69808,2.03205,0,0,0,30.0433,449.03,220.974,281.278,0.4204,0.206885,0,0,0,3,mog,unnamed,jeb,unnamed,1,3,-P 1,2,Gd,Yes,Gd,PACMAN-DDEC6,15.74547769,0.706044139,0.022278389,0.777918071,0.02370122,0.832217476,0.028200844,0.001261733,0.330453217,52,SI,10.1021/acs.inorgchem.6b03147,2017,2017/4/20,ACS,All Solvent Removed,FALSE,258.4,0.799649,0.58,superstrong_high_loading,
1112,2007[CuEu][nan]3[ASR]1,ic700893w-file001_ASR_pacman,-,[Cu].[Eu].[O-]C(=O)c1ccccc1C(=O)[O-].[O-]C(=O)c1ccncc1 MOFid-v1.ERROR.cat0;ic700893w-file001_ASR_pacman,[Cu1_Type-1].[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.ERROR.cat0;ic700893w-file001_ASR_pacman,4.65185,4.20696,4.63944,1.96567,73.3486,461.887,234.977,0,0,0,622.504,0.392,0.199423,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,C 2y,5,"Cu,Eu",Yes,Cu,PACMAN-DDEC6,15.40830885,0.656982631,0.019060266,0.720551462,0.038842777,0.761991665,0.042540139,0.00105009,0.345643638,122,SI,10.1021/ic700893w,2007,2007/11/9,ACS,All Solvent Removed,FALSE,429.9,0.2245008,0.45,none,
1113,2009[Zn][nan]3[ASR]4,ic9002115_si_001_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn].n1ccc(cc1)C=Cc1ccncc1 MOFid-v1.rob.cat0;ic9002115_si_001_ASR_pacman,[C4O8Zn2_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;ic9002115_si_001_ASR_pacman,5.31297,5.06772,5.31297,1.24197,206.905,975.201,785.203,0,0,0,1009.49,0.4758,0.3831,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Zn,No,N/A,PACMAN-DDEC6,10.17183385,0.890187925,0.038615112,0.989765291,0.073641799,1.047797745,0.084325545,0.001576098,0.424282617,156,SI,10.1021/ic9002115,2009,2009/7/2,ACS,All Solvent Removed,FALSE,395.5,0.94672894,0.755857143,weak,
1114,2019[Eu][nan]3[ASR]7,ie9b02949_si_002_ASR_pacman,-,[Eu].[O-]C(=O)c1cc(cc(c1)c1ccc(c2c1cccc2)C(=O)[O-])C(=O)[O-] MOFid-v1.unknown.cat0;ie9b02949_si_002_ASR_pacman,[Eu2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ie9b02949_si_002_ASR_pacman,7.1887,5.05319,7.1887,1.33916,331.462,1377.22,1028.42,0,0,0,1296.27,0.5386,0.402191,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 2yb,4,Eu,Yes,Eu,PACMAN-DDEC6,13.86386171,0.702412239,0.019305486,0.784333642,0.041320302,0.823941531,0.049771421,0.001215293,0.344876613,140,SI,10.1021/acs.iecr.9b02949,2019,2019/9/4,ACS,All Solvent Removed,FALSE,519.7,0.22347954,0.867692308,none,
1115,2007[Zn][pcu]3[ASR]3,ja074366osi20070816_031204_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat0;ja074366osi20070816_031204_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;ja074366osi20070816_031204_ASR_pacman,15.02646,7.9821,15.02646,0.595037,945.476,2200.27,3697.71,0,0,0,3482.36,0.8104,1.36193,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-F 4 2 3,225,Zn,No,N/A,PACMAN-DDEC6,14.52574113,0.737196491,0.022327908,0.833649932,0.040523432,0.875022044,0.047871378,0.001378256,0.332900053,106,SI,10.1021/ja074366o,2007,2007/9/20,ACS,All Solvent Removed,FALSE,412.4,0.9251616,0.09,weak,
1116,0000[Zn][srs]3[ASR]1,ja0752540-file002_1_ASR_pacman,-,unknown,unknown,8.14433,7.67619,8.14433,1.22499,3466.88,2020.47,1649.38,0,0,0,11427.8,0.666,0.543679,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.512488923,0.018223309,0.557550579,0.0292701,0.61536902,0.036786862,0.001028801,0.201722498,648,SI,10.1021/ja0752540,unknown,unknown,ACS,All Solvent Removed,FALSE,388.7,0.113503546,0.3,weak,
1117,2007[Zn][srs]3[ASR]9,ja0752540-file002_2_ASR_pacman,-,unknown,unknown,8.13471,7.32781,8.13207,1.23149,3495.25,2047.81,1662.87,0.885166,0.518604,0.42112,11323.1,0.6634,0.538698,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.513436223,0.017869384,0.558127775,0.029932445,0.615541684,0.036618724,0.001021055,0.204999449,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,389.2,0.11025795,0.3,weak,
1118,2007[Zn][srs]3[ASR]10,ja0752540-file002_3_ASR_pacman,-,I[Zn]I.n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.srs.cat1;ja0752540-file002_3_ASR_pacman,unknown,8.18232,7.42372,8.18078,1.23146,3535.77,2071.51,1682.15,0.587065,0.343945,0.279298,11449.6,0.6708,0.544718,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.513001227,0.018374046,0.556669178,0.02966872,0.613060005,0.03697701,0.001000588,0.210704415,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,388.4,0.11080772,0.3,weak,
1119,2007[Zn][srs]3[ASR]11,ja0752540-file002_4_ASR_pacman,-,unknown,unknown,8.15804,7.53287,8.15804,1.22695,3536.04,2064.08,1682.28,0,0,0,11399.2,0.6654,0.54232,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.514439019,0.018502643,0.557362974,0.029370224,0.61447172,0.036613577,0.001000327,0.211976785,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,389.7,0.111661255,0.3,weak,
1120,2007[Zn][srs]3[ASR]12,ja0752540-file002_5_ASR_pacman,-,I[Zn]I.n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.srs.cat1;ja0752540-file002_5_ASR_pacman,unknown,8.21788,7.67164,8.21788,1.21042,3604.81,2075.88,1715,0,0,0,11495.8,0.662,0.546916,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.514342232,0.01796736,0.558120314,0.02951678,0.617122916,0.036273111,0.001027807,0.20346276,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,388,0.11167359,0.3,weak,
1121,2007[Zn][srs]3[ASR]13,ja0752540-file002_6_ASR_pacman,-,unknown,unknown,8.41278,7.79779,8.41278,1.20596,3610.33,2071.39,1717.63,0,0,0,11632.4,0.6674,0.553417,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.514452479,0.018442171,0.556523937,0.029485625,0.616606731,0.036506469,0.001021543,0.204987837,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,387.3,0.11156452,0.3,weak,
1122,2007[Zn][srs]3[ASR]14,ja0752540-file002_7_ASR_pacman,-,I[Zn]I.n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.srs.cat1;ja0752540-file002_7_ASR_pacman,unknown,8.32352,7.79985,8.25756,1.23467,3438.06,2019.5,1635.67,0,0,0,11372.2,0.668,0.541036,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.513573183,0.017862743,0.558361568,0.028886595,0.615317068,0.036377207,0.001017439,0.206313674,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,388.3,0.11461455,0.3,weak,
1123,2007[Zn][srs]3[ASR]15,ja0752540-file002_8_ASR_pacman,-,I[Zn]I.n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.srs.cat1;ja0752540-file002_8_ASR_pacman,unknown,8.30777,7.62784,8.30777,1.22175,3514.72,2042.93,1672.14,0,0,0,11526.9,0.67,0.548395,0,0,0,3,srs,unnamed,srs,unnamed,2,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,19.53361704,0.516241777,0.017883593,0.560979073,0.029126057,0.619005024,0.036784733,0.001027632,0.205737261,648,SI,10.1021/ja0752540,2007,2007/11/22,ACS,All Solvent Removed,FALSE,389,0.111435205,0.3,weak,
1124,2020[Cu][pcu]3[ASR]1,ja0c00368_si_002_1_ASR_pacman,-,unknown,unknown,5.35053,3.31385,5.35053,2.08225,151.09,488.686,234.692,0,0,0,1305.96,0.4224,0.202858,0,0,0,3,pcu-h,unnamed,pcu-h,unnamed,2,3,-R 3,148,Cu,Yes,Cu,PACMAN-DDEC6,18.4614452,0.535654781,0.018071914,0.594963331,0.034456261,0.634671645,0.040080744,0.000990169,0.241870894,210,SI,10.1021/jacs.0c00368,2020,2020/3/19,ACS,All Solvent Removed,FALSE,327.9,0.7137563,0.467692308,weak,
1125,2020[Cu][pcu]3[ASR]2,ja0c00368_si_002_2_ASR_pacman,-,unknown,unknown,5.25034,3.37072,5.25028,2.16703,429.645,482.075,222.459,0,0,0,3605.96,0.4046,0.186707,0,0,0,3,pcu-h,unnamed,pcu-h,unnamed,2,3,-R 3,148,Cu,Yes,Cu,PACMAN-DDEC6,18.4614452,0.532001983,0.017678051,0.594731277,0.034311544,0.630597126,0.040510958,0.000985951,0.240693796,630,SI,10.1021/jacs.0c00368,2020,2020/3/19,ACS,All Solvent Removed,FALSE,409.3,0.28679726,0.467692308,weak,
1126,2020[Co][llz]3[ASR]1,ja0c00612_si_002_2_ASR_pacman,-,[Co]1[Co][O]21[Co][O]1([Co]2)[Co][Co]1.[Co][O]([Co])[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1cc(nc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccncc1 MOFid-v1.llz.cat0;ja0c00612_si_002_2_ASR_pacman,[C6Co3O13_Type-1].[C8Co6O18_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.llz.cat0;ja0c00612_si_002_2_ASR_pacman,10.80481,4.78739,10.80481,0.92686,3691.03,1986.99,2143.78,35.1301,18.9115,20.4039,11598.8,0.6244,0.673672,0,0,0,3,llz,unnamed,llz,unnamed,1,3,P -4 -2n,118,Co,Yes,Co,PACMAN-DDEC6,11.4695067,0.859023721,0.027752496,0.952303541,0.052889343,1.01009215,0.066176001,0.001510684,0.411733635,904,SI,10.1021/jacs.0c00612,2020,2020/4/25,ACS,All Solvent Removed,TRUE,347.1,0.8218409,0.611052632,weak,
1127,2020[Zr][flu]3[ASR]1,ja0c00637_si_002_ASR_pacman,-,unknown,unknown,11.65209,8.31078,11.65209,0.648009,1148.18,2170.28,3349.16,0,0,0,4069.41,0.7692,1.18702,2.11618,0.0004,0.000617275,3,flu,unnamed,flt,unnamed,1,3,-F 2 2,69,Zr,Yes,Zr,PACMAN-DDEC6,12.74401333,0.772723475,0.032796001,0.860917886,0.053307043,0.920761604,0.056629048,0.001480381,0.333334204,162,SI,10.1021/jacs.0c00637,2020,2020/5/13,ACS,All Solvent Removed,FALSE,346.6,0.86906695,0.93,superstrong_high_loading,
1128,2020[Zr][flu]3[ASR]2,ja0c00637_si_003_ASR_pacman,-,unknown,unknown,11.67541,9.42998,11.67541,0.626397,1415.94,2166.83,3459.19,0,0,0,4984.61,0.7628,1.21776,1.30692,0.0002,0.000319286,3,flu,unnamed,flt,unnamed,1,3,-F 2 2,69,Zr,Yes,Zr,PACMAN-DDEC6,11.73809333,0.809592282,0.035963022,0.88808997,0.05551816,0.960658974,0.06427885,0.001510667,0.357380319,210,SI,10.1021/jacs.0c00637,2020,2020/5/13,ACS,All Solvent Removed,FALSE,376,0.90984595,0.89,none,
1129,2020[Zr][nan]3[ASR]1,ja0c00637_si_004_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1C)c1c(C)c(cc(c1O)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])O.[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]3[Zr]1389%10[O]%114[Zr]4%12%13%145[O]56[Zr]6%15%162([O]71[O]86[Zr]12[O]%10[Zr]6([O]3%114)[O]%13[Zr]([O]%125%15)([O]%161)[O]26)[O]9%14 MOFid-v1.pcu,unknown.cat0;ja0c00637_si_004_ASR_pacman","[C12O39Zr9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Branch1][#Branch1][C][=Branch1][Branch1][=C][Ring1][#C][C][C][=C][Branch1][C][C][C][=Branch2][Ring1][Branch2][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O] MOFid-v2.pcu,UNKNOWN.cat0;ja0c00637_si_004_ASR_pacman",10.60005,10.2764,10.60005,0.77024,1442.63,2135.87,2772.99,0,0,0,4907.68,0.7266,0.943343,1.35086,0.0002,0.000259659,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 2""",155,Zr,Yes,Zr,PACMAN-DDEC6,12.14324233,0.786745696,0.029428329,0.86201519,0.054933468,0.923721935,0.059822609,0.001369762,0.378077439,258,SI,10.1021/jacs.0c00637,2020,2020/5/13,ACS,All Solvent Removed,FALSE,354.7,0.8829229,0.89,unknown,
1130,2020[Zr][nan]3[ASR]2,ja0c00637_si_006_ASR_pacman,-,"Cc1c(cc(c(c1c1c(C)c(cc(c1O)c1ccc(c2c1cccc2)C(=O)[O-])c1ccc(c2c1cccc2)C(=O)[O-])O)c1ccc(c2c1cccc2)C(=O)[O-])c1ccc(c2c1cccc2)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]3[Zr]1389%10[O]%114[Zr]4%12%13%145[O]56[Zr]6%15%162([O]71[O]86[Zr]12[O]%10[Zr]6([O]3%114)[O]%13[Zr]([O]%125%15)([O]%161)[O]26)[O]9%14 MOFid-v1.pcu,ERROR.cat0;ja0c00637_si_006_ASR_pacman","[C12O39Zr9_Type-1].[C][C][=C][Branch2][#Branch1][=C][C][=C][Branch2][=Branch1][Ring2][C][=Branch2][Branch1][#C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=Branch2][Ring1][=C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu,ERROR.cat0;ja0c00637_si_006_ASR_pacman",8.22493,6.38072,8.22493,0.907894,1418.8,2077.63,2288.4,0,0,0,4344.57,0.6362,0.700743,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 2""",155,Zr,Yes,Zr,PACMAN-DDEC6,11.31412327,0.820693502,0.030759838,0.902468591,0.054847626,0.977340117,0.066313395,0.001566466,0.351904252,330,SI,10.1021/jacs.0c00637,2020,2020/5/13,ACS,All Solvent Removed,FALSE,381.1,0.95978165,0.93,none,
1131,2020[Mg][nan]3[ASR]2,ja0c00640_si_003_ASR_pacman,-,CCCC1c2cc(C(CCC)c3cc(C(c4cc(C(c5cc1c([O])c(c5[O])[O])CCC)c([O])c(c4[O])[O])CCC)c(c(c3[O])[O])[O])c(c(c2[O])[O])[O].[Mg].[O]CCOCC[O] MOFid-v1.ERROR.cat0;ja0c00640_si_003_ASR_pacman,unknown,11.55243,4.53412,6.77889,0.97996,2706.25,748.941,764.257,1412.62,390.935,398.93,19714.9,0.5456,0.556757,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-P 2ybc,14,Mg,Yes,Mg,PACMAN-DDEC6,8.557107255,1.028627458,0.04803598,1.192177999,0.079904934,1.292894644,0.063013643,0.002642672,0.246298214,2492,SI,10.1021/jacs.0c00640,2020,2020/4/7,ACS,All Solvent Removed,FALSE,366.2,0.62769663,0.43,none,
1132,2020[CuSi][pcu]2[ASR]1,ja0c01314_si_005_ASR_pacman,-,unknown,unknown,6.50418,5.8382,6.50418,1.13663,465.499,1272.29,1119.35,0,0,0,1949.38,0.5328,0.468752,0,0,0,2,pcu,unnamed,pcu,unnamed,1,2,-P 2ybc,14,"Cu,Si",Yes,Cu,PACMAN-DDEC6,10.43485199,0.894559027,0.035661848,1.022763152,0.052384815,1.071086348,0.069693601,0.001765273,0.378290553,240,SI,10.1021/jacs.0c01314,2020,2020/3/27,ACS,All Solvent Removed,TRUE,unknown,unknown,unknown,superstrong_high_loading,
1133,2020[CuSi][pcu]3[ASR]1,ja0c01314_si_006_ASR_pacman,-,[Cu].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.sql.cat0;ja0c01314_si_006_ASR_pacman,unknown,3.81204,3.00466,3.79657,1.37362,0,0,0,32.4275,214.22,155.952,676.042,0.4466,0.325125,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,P 1,1,"Cu,Si",Yes,Cu,PACMAN-DDEC6,10.43485199,0.899887808,0.035331428,1.030200495,0.051906854,1.080217185,0.071989542,0.001803294,0.372282344,120,SI,10.1021/jacs.0c01314,2020,2020/3/27,ACS,All Solvent Removed,TRUE,288.7,0.7408673,0.72,superstrong_high_loading,
1134,2020[CuSi][pcu]2[ASR]2,ja0c01314_si_007_ASR_pacman,-,[Cu].c1ncn(c1)c1ccc(cc1)n1cncc1 MOFid-v1.sql.cat0;ja0c01314_si_007_ASR_pacman,unknown,3.72957,2.58697,3.1914,1.40902,0,0,0,8.24389,55.8633,39.6469,623.642,0.4226,0.299925,0,0,0,2,pcu,unnamed,pcu,unnamed,1,3,-P 1,2,"Cu,Si",No,N/A,PACMAN-DDEC6,10.43485199,0.900997578,0.034201173,1.03049797,0.051639296,1.084651884,0.07190343,0.001836543,0.362592407,120,SI,10.1021/jacs.0c01314,2020,2020/3/27,ACS,All Solvent Removed,TRUE,unknown,unknown,unknown,superstrong_high_loading,
1135,2020[Fe][tbo]3[ASR]1,ja0c01626_si_003_ASR_pacman,-,"[Fe].[O]NC(=O)c1cc(cc(c1)C(=O)N[O])c1cc(cc(c1)C(=O)N[O])C(=O)N[O] MOFid-v1.tbo,tbd.cat0;ja0c01626_si_003_ASR_pacman","[Fe1_Type-1].[OH0][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][OH0][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][OH0][C][=Branch1][C][=O][N][OH0] MOFid-v2.tbo,tbd.cat0;ja0c01626_si_003_ASR_pacman",20.78792,8.92032,20.78792,0.450439,1945.67,1909.21,4238.55,0,0,0,8368.84,0.8212,1.82311,0,0,0,3,tbo,unnamed,tbd,unnamed,1,2,F 4 2 3,209,Fe,No,N/A,PACMAN-DDEC6,11.71354068,0.86097834,0.029305222,0.971667772,0.041868981,1.048425068,0.056003483,0.001874467,0.30429351,236,SI,10.1021/jacs.0c01626,2020,2020/3/28,ACS,All Solvent Removed,TRUE,217,0.89221704,0.35,none,
1136,2020[Fe][tbo]3[ASR]2,ja0c01626_si_004_ASR_pacman,-,"[Fe].[O]NC(=O)c1cc(cc(c1)C(=O)N[O])c1cc(cc(c1)C(=O)N[O])C(=O)N[O] MOFid-v1.tbo,tbd.cat0;ja0c01626_si_004_ASR_pacman","[Fe1_Type-1].[OH0][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][OH0][C][=C][C][=Branch1][=C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][OH0][C][=Branch1][C][=O][N][OH0] MOFid-v2.tbo,tbd.cat0;ja0c01626_si_004_ASR_pacman",20.78081,8.90611,20.78081,0.449851,1934.11,1895.39,4213.37,0,0,0,8402.23,0.8234,1.83038,0,0,0,3,tbo,unnamed,tbd,unnamed,1,3,F 4 2 3,209,Fe,No,N/A,PACMAN-DDEC6,11.71354068,0.861277959,0.02992687,0.968064368,0.041905639,1.047929291,0.054842174,0.001866513,0.305810878,236,SI,10.1021/jacs.0c01626,2020,2020/3/28,ACS,All Solvent Removed,TRUE,217.5,0.891086,0.35,weak,
1137,2020[Zn][fgl]3[ASR]1,ja0c03853_si_002_ASR_pacman,-,[O-]C(=O)C(NC(=O)C1=CN=N[CH]1)C.[Zn] MOFid-v1.ggl.cat0;ja0c03853_si_002_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][N][=N][CH1][Ring1][Branch1][C] MOFid-v2.ggl.cat0;ja0c03853_si_002_ASR_pacman,8.61383,5.8044,8.61383,1.01045,498.943,2052.48,2031.24,0,0,0,1595.18,0.6562,0.649411,0,0,0,3,fgl,unnamed,ggl,unnamed,1,3,R 3,146,Zn,No,N/A,PACMAN-DDEC6,11.73946571,0.854050651,0.022429678,0.954374603,0.034376365,1.030087559,0.033448915,0.001760369,0.330041759,126,SI,10.1021/jacs.0c03853,2020,2020/8/20,ACS,All Solvent Removed,FALSE,333.9,0.81605166,0.693947773,weak,
1138,2020[Zn][fgl]3[ASR]2,ja0c03853_si_003_ASR_pacman,-,O=C([C]1C=NN=C1)NCC(=O)[O-].[O-]C(=O)CNC(=O)C1=C[N]N=C1.[Zn] MOFid-v1.ggl.cat0;ja0c03853_si_003_ASR_pacman,[Zn1_Type-1].[O][=C][Branch1][Branch2][CH0][C][=N][N][=C][Ring1][Branch1][N][C][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][NH0][N][=C][Ring1][Branch1] MOFid-v2.ggl.cat0;ja0c03853_si_003_ASR_pacman,8.61802,7.72596,8.61802,1.00528,468.958,2035.03,2024.35,0,0,0,1542.12,0.6692,0.665685,0,0,0,3,fgl,unnamed,ggl,unnamed,1,3,"R 3 -2""c",161,Zn,No,N/A,PACMAN-DDEC6,12.91678889,0.804662303,0.020397024,0.90333603,0.027085729,0.973073061,0.028554353,0.001684108,0.304252811,108,SI,10.1021/jacs.0c03853,2020,2020/8/20,ACS,All Solvent Removed,FALSE,301.2,0.81094706,0.707281106,weak,
1139,2020[Cu][lvt]3[ASR]1,ja0c04450_si_003_ASR_pacman,-,"[Cu][Cu].[O-]C(=O)c1ccc(cc1)c1c(c2ccc(cc2)C(=O)O)c(c(n1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.lvt,ERROR.cat0;ja0c04450_si_003_ASR_pacman","[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch2][Ring2][=Branch1][=C][Branch2][Ring1][Ring1][N][Ring1][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.lvt,ERROR.cat0;ja0c04450_si_003_ASR_pacman",6.68517,4.60955,6.64032,0.857596,1340.86,2189.53,2553.11,0,0,0,4046.7,0.6608,0.770526,0,0,0,3,lvt,unnamed,lvt,unnamed,1,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,10.83118822,0.869757119,0.026528146,0.959214755,0.053591665,1.023379187,0.071241332,0.001536221,0.413106449,292,SI,10.1021/jacs.0c04450,2020,2020/7/16,ACS,All Solvent Removed,FALSE,237.3,0.64940757,0.67,weak,
1140,2020[Cu][sql]2[ASR]11,ja0c04477_si_003_ASR_pacman,-,unknown,unknown,7.36478,4.52324,7.35773,0.701661,1543.03,2389.53,3405.54,0,0,0,4418.18,0.6842,0.975115,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Cu,Yes,Cu,PACMAN-DDEC6,9.344359452,0.973221212,0.036835867,1.111091775,0.054253738,1.175563193,0.057673983,0.00202342,0.378428457,292,SI,10.1021/jacs.0c04477,2020,2020/7/10,ACS,All Solvent Removed,FALSE,257.3,0.46456894,0.43,weak,
1141,2020[Y][nan]3[ASR]1,ja0c04537_si_001_ASR_pacman,-,unknown,unknown,3.84853,2.92223,3.84853,1.87426,0,0,0,10.4574,189.758,101.244,216.028,0.392,0.209149,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Y,Yes,Y,PACMAN-DDEC6,14.13692227,0.820636243,0.020464257,0.907044767,0.022432314,0.974258834,0.025903205,0.001536226,0.362967549,44,SI,10.1021/jacs.0c04537,2020,2020/9/17,ACS,All Solvent Removed,FALSE,346.1,0.79709846,0.4,superstrong_high_loading,
1142,2020[Y][nan]3[ASR]2,ja0c04537_si_002_ASR_pacman,-,unknown,unknown,3.81052,2.91249,3.81052,1.84929,0,0,0,11.7116,209.684,113.387,221.627,0.3968,0.214569,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 1,1,Y,Yes,Y,PACMAN-DDEC6,14.13692227,0.8217507,0.020584843,0.908133831,0.021881541,0.975488847,0.025398888,0.001537381,0.363707611,44,SI,10.1021/jacs.0c04537,2020,2020/9/17,ACS,All Solvent Removed,FALSE,338.4,0.7981025,0.38,superstrong_high_loading,
1143,2020[Ni][nan]3[ASR]3,ja0c05074_si_002_ASR_pacman,-,N1=C[C](C=N1)c1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccc(cc1)C1=C[N]N=C1)c1ccc(cc1)C1=C[N]N=C1.N1=C[C](C=N1)c1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccc(cc1)[C]1C=NN=C1)c1ccc(cc1)[C]1C=NN=C1.N1=C[C](C=N1)c1ccc(cc1)C1=[N]=C(N=C([N]1)c1ccc(cc1)C1=C[N]N=C1)c1ccc(cc1)C1=C[N]N=C1.N1=C[C](C=N1)c1ccc(cc1)C1=[N]=C(N=C([N]1)c1ccc(cc1)C1=C[N]N=C1)c1ccc(cc1)[C]1C=NN=C1.N1=C[C](C=N1)c1ccc(cc1)C1=[N]=C([N]C(=N1)c1ccc(cc1)C1=C[N]N=C1)c1ccc(cc1)C1=C[N]N=C1.[Ni] MOFid-v1.the.cat0;ja0c05074_si_002_ASR_pacman,unknown,18.11345,5.03402,18.11345,0.676112,2315.23,1988.52,2941.11,0,0,0,8357.34,0.7178,1.06166,0,0,0,3,unstable,unnamed,epn,unnamed,2,3,-I 4 2 3,229,Ni,Yes,Ni,PACMAN-DDEC6,10.12930462,0.840909213,0.046046128,0.937521228,0.078645497,1.008359204,0.075983414,0.0016745,0.34285491,468,SI,10.1021/jacs.0c05074,2020,2020/7/11,ACS,All Solvent Removed,TRUE,408.5,0.6241475,0.61,weak,
1144,2020[V][nan]3[ASR]1,ja0c06414_si_002_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].[V] MOFid-v1.unknown.cat0;ja0c06414_si_002_ASR_pacman,[V4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja0c06414_si_002_ASR_pacman,7.13415,6.98216,7.13415,1.11033,228.589,1653.78,1489.45,0,0,0,833.479,0.603,0.543083,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,V,No,N/A,PACMAN-DDEC6,12.83643667,0.834481843,0.022418159,0.932236841,0.027526643,1.016523236,0.02909908,0.001820414,0.290602433,72,SI,10.1021/jacs.0c06414,2020,2020/8/31,ACS,All Solvent Removed,FALSE,538,0.68644947,0.637032967,weak,
1145,2020[V][nan]3[ASR]2,ja0c06414_si_003_ASR_pacman,-,[O-]C(=O)c1cc(cc(c1)C(=O)[O-])c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[OH].[V] MOFid-v1.unknown.cat0;ja0c06414_si_003_ASR_pacman,[V4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja0c06414_si_003_ASR_pacman,7.13593,6.99921,7.13593,1.11183,227.274,1646.5,1480.89,0,0,0,833.456,0.6038,0.543068,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,V,No,N/A,PACMAN-DDEC6,12.83643667,0.857690584,0.01336469,0.942414199,0.018042597,1.044677344,0.01493368,0.001869868,0.293807052,72,SI,10.1021/jacs.0c06414,2020,2020/8/31,ACS,All Solvent Removed,FALSE,538.2,0.6861769,0.637032967,weak,
1146,2020[V][nan]3[ASR]3,ja0c06414_si_005_ASR_pacman,-,unknown,[V4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.UNKNOWN.cat0;ja0c06414_si_005_ASR_pacman,7.21436,7.01374,7.21436,1.13183,430.668,1595.01,1409.23,0,0,0,1628.16,0.603,0.532766,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw,98,V,No,N/A,PACMAN-DDEC6,13.53223059,0.844657884,0.015724589,0.937509786,0.023523073,1.016255177,0.024350679,0.001715973,0.332217091,136,SI,10.1021/jacs.0c06414,2020,2020/8/31,ACS,All Solvent Removed,FALSE,533.6,0.527328,0.558461538,weak,
1147,2020[Zr][flu]3[ASR]3,ja0c07081_si_002_ASR_pacman,-,[O-]C(=O)c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-])(c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-])c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.flu.cat0;ja0c07081_si_002_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1][Branch2][Ring2][Ring1][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1] MOFid-v2.flu.cat0;ja0c07081_si_002_ASR_pacman,17.33084,7.53875,17.33084,0.507379,3654.46,2018.93,3979.13,0,0,0,14908,0.8236,1.62325,3.6202,0.0002,0.000394183,3,flu,unnamed,flu,unnamed,1,3,-P 4n 2n,136,Zr,Yes,Zr,PACMAN-DDEC6,13.2949775,0.777902178,0.018880744,0.875633662,0.028567084,0.941290989,0.042191231,0.001633888,0.293081439,416,SI,10.1021/jacs.0c07081,2020,2020/8/26,ACS,All Solvent Removed,FALSE,359.6,0.8262527,0.88,none,
1148,2020[Hf][flu]3[ASR]1,ja0c07081_si_003_ASR_pacman,-,[O-]C(=O)c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-])(c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-])c1ccc2-c3c(S(=O)(=O)c2c1)cc(cc3)C(=O)[O-].[O]12[Hf]34[O]5[Hf]62[O]2[Hf]71[O]4[Hf]14[O]3[Hf]35[O]6[Hf]2([O]71)[O]43 MOFid-v1.flu.cat0;ja0c07081_si_003_ASR_pacman,[C8Hf6O24_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1][Branch2][Ring2][Ring1][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Branch1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][O-1] MOFid-v2.flu.cat0;ja0c07081_si_003_ASR_pacman,19.21939,8.37152,19.13772,0.606164,3607.44,2001.93,3302.63,0,0,0,14862.7,0.8248,1.36069,3.60396,0.0002,0.000329944,3,flu,unnamed,flu,unnamed,1,3,-P 4n 2n,136,Hf,Yes,Hf,PACMAN-DDEC6,15.81226596,0.643458735,0.01616041,0.725955366,0.024897907,0.776374171,0.034051266,0.001329154,0.250058726,416,SI,10.1021/jacs.0c07081,2020,2020/8/26,ACS,All Solvent Removed,FALSE,363.4,0.8657639,0.87,none,
1149,0000[Co][nan]3[ASR]4,ja0c07257_si_003_ASR_pacman,-,[Co].c1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccccc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_003_ASR_pacman,[Co1_Type-1].[C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_003_ASR_pacman,6.56429,5.06226,6.56429,1.15589,187.372,645.385,558.346,0,0,0,1310.53,0.4514,0.390522,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,8.981723133,0.912899234,0.049149551,1.055285408,0.072178738,1.125553941,0.087574528,0.002126547,0.286954722,225,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,510.9,0.88703537,0.73,weak,
1150,0000[Co][nan]2[ASR]1,ja0c07257_si_005_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_005_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_005_ASR_pacman,4.88768,3.8223,4.88768,1.07248,224.911,1075.02,1002.37,0,0,0,1052.35,0.503,0.469006,0,0,0,2,unstable,unnamed,unstable,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.901236205,0.049000148,1.038390004,0.074008977,1.115864154,0.086027626,0.002146279,0.267298965,146,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,496.5,0.8030595,0.87,weak,
1151,0000[Co][nan]3[ASR]5,ja0c07257_si_006_ASR_pacman,-,N1[CH]C=C(C=C1)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)C1=C[CH]NC=C1)C=C3)c1ccncc1)[N]2.[Co] MOFid-v1.ERROR.cat0;ja0c07257_si_006_ASR_pacman,[Co1_Type-1].[N][CH1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][Ring1][=C][Branch2][Branch1][#Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][C][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][CH1][N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_006_ASR_pacman,6.53077,4.96028,6.53077,1.19044,179.02,631.312,530.316,0,0,0,1272.09,0.4486,0.376834,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.0349498,0.920774964,0.047467595,1.059523112,0.072222336,1.128484056,0.083157825,0.002077091,0.309278888,225,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,428.7,0.7579094,0.8,none,
1152,0000[Co][nan]3[ASR]6,ja0c07257_si_007_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_007_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_007_ASR_pacman,7.0044,5.10639,7.0044,1.17021,209.807,729.475,623.371,0,0,0,1302.32,0.4528,0.386939,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.916246205,0.043588625,1.061118074,0.062713264,1.133674417,0.081299572,0.002174282,0.276014156,219,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,470.3,0.8135283,0.81,weak,
1153,0000[Co][nan]3[ASR]7,ja0c07257_si_008_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_008_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_008_ASR_pacman,6.9462,4.92736,6.9462,1.18172,195.26,685.571,580.148,0,0,0,1269.13,0.4456,0.377079,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.918734507,0.043852528,1.064130879,0.060335112,1.134277365,0.079044588,0.002155429,0.284647582,219,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,470.5,0.8146761,0.8,weak,
1154,0000[Co][nan]3[ASR]8,ja0c07257_si_009_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_009_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_009_ASR_pacman,6.82067,4.78775,6.82067,1.19411,192.05,681.373,570.611,0,0,0,1279.63,0.454,0.380199,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.918654922,0.044068574,1.062597724,0.060674729,1.133876441,0.078650766,0.002152215,0.285101044,219,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,470,0.8187626,0.8,none,
1155,0000[Co][nan]3[ASR]9,ja0c07257_si_010_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_010_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_010_ASR_pacman,6.96242,4.92588,6.93422,1.17214,203.448,708.532,604.477,0,0,0,1319.7,0.4596,0.392103,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.916150938,0.044579866,1.061860737,0.061203055,1.133478598,0.079105134,0.002173277,0.276516615,219,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,469.9,0.81469667,0.8,weak,
1156,0000[Co][nan]3[ASR]10,ja0c07257_si_011_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.ERROR.cat0;ja0c07257_si_011_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.ERROR.cat0;ja0c07257_si_011_ASR_pacman,6.91079,4.88428,6.91079,1.17907,194.031,679.73,576.497,0,0,0,1277.69,0.4476,0.379622,0,0,0,3,unstable,unnamed,unstable,unnamed,1,2,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.917392324,0.043864868,1.064623119,0.06050454,1.13473275,0.078389062,0.002173404,0.278224569,219,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,470,0.8159822,0.8,weak,
1157,0000[Co][nan]3[ASR]11,ja0c07257_si_012_ASR_pacman,-,[Co].n1ccc(cc1)C1=C2C=CC(=C(c3ccncc3)C3=NC(=C(C4=CC=C(C(=C5N=C1C=C5)c1ccncc1)[N]4)c1ccncc1)C=C3)[N]2 MOFid-v1.unknown.cat0;ja0c07257_si_012_ASR_pacman,[Co1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch2][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][N][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][O][=C][N][=C][Ring2][Ring1][Branch2][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][NH0][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][NH0][Ring2][Ring2][=Branch2] MOFid-v2.UNKNOWN.cat0;ja0c07257_si_012_ASR_pacman,6.99121,4.89555,6.99121,1.17401,407.697,711.062,605.667,0,0,0,2626,0.458,0.390114,0,0,0,3,unstable,unnamed,unstable,unnamed,1,3,-R 3,148,Co,No,N/A,PACMAN-DDEC6,9.254867877,0.918884556,0.04365467,1.0609454,0.061243397,1.132312355,0.078752276,0.002134278,0.290383484,438,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,471.9,0.81953955,0.8,weak,
1158,2020[Zn][nan]3[ASR]57,ja0c08794_si_002_ASR_pacman,-,[O-]C(=O)c1cc(cc(n1)C(=O)[O-])c1cc(nc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;ja0c08794_si_002_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja0c08794_si_002_ASR_pacman,4.38152,2.99318,4.3608,1.54077,0,0,0,40.5311,409.695,265.903,496.827,0.5022,0.325942,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 4n 2n,136,Zn,No,N/A,PACMAN-DDEC6,15.29833867,0.74076035,0.015888025,0.841276907,0.019946101,0.891094898,0.021851564,0.001503345,0.298206465,60,SI,10.1021/jacs.0c08794,2020,2020/11/13,ACS,All Solvent Removed,FALSE,377.3,0.57151717,0.46,weak,
1159,2020[Zn][nan]3[ASR]58,ja0c08794_si_003_ASR_pacman,-,unknown,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja0c08794_si_003_ASR_pacman,4.29824,2.95831,4.29824,1.54948,0,0,0,37.6554,382.779,247.037,490.885,0.499,0.322044,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 4n 2n,94,Zn,No,N/A,PACMAN-DDEC6,15.29833867,0.744382953,0.014581403,0.842546786,0.018153023,0.894222647,0.021660048,0.001498397,0.30261187,60,SI,10.1021/jacs.0c08794,2020,2020/11/13,ACS,All Solvent Removed,FALSE,380.3,0.5763868,0.46,weak,
1160,2020[Zn][nan]3[ASR]59,ja0c08794_si_004_ASR_pacman,-,[O-]C(=O)c1cc(cc(n1)C(=O)[O-])c1cc(nc(c1)C(=O)[O-])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;ja0c08794_si_004_ASR_pacman,[C4O8Zn2_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja0c08794_si_004_ASR_pacman,4.39241,2.99788,4.37513,1.54099,0,0,0,40.3552,407.975,264.749,497.152,0.5026,0.326155,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 4n 2n,136,Zn,No,N/A,PACMAN-DDEC6,15.29833867,0.761217345,0.016960186,0.85312338,0.019668423,0.910024686,0.023422851,0.001488073,0.320629446,60,SI,10.1021/jacs.0c08794,2020,2020/11/13,ACS,All Solvent Removed,TRUE,377.8,0.57554483,0.46,weak,
1161,2020[Zn][nan]3[ASR]60,ja0c08794_si_005_ASR_pacman,-,unknown,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Branch1][=N][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja0c08794_si_005_ASR_pacman,4.33951,3.0925,4.33853,1.5447,0,0,0,42.5146,430.841,278.916,494.97,0.5016,0.324724,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 4n 2n,136,Zn,No,N/A,PACMAN-DDEC6,15.29833867,0.737960608,0.015818698,0.836276108,0.020107409,0.892491053,0.023489335,0.001545304,0.281386032,60,SI,10.1021/jacs.0c08794,2020,2020/11/13,ACS,All Solvent Removed,FALSE,376.1,0.5632326,0.46,weak,
1162,2020[NiMn][nan]3[ASR]1,ja0c09009_si_002_ASR_pacman,-,unknown,unknown,5.78251,4.83284,5.71176,1.22323,912.313,1357.18,1109.5,0,0,0,3535.83,0.526,0.430008,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 61,169,"Ni,Mn",Yes,"Ni,Mn",PACMAN-DDEC6,13.09990683,0.802430058,0.020732596,0.903189689,0.033404732,0.951868017,0.046574042,0.00149438,0.362796395,378,SI,10.1021/jacs.0c09009,2020,2020/11/13,ACS,All Solvent Removed,FALSE,356.2,0.6073541,0.532,none,
1163,2020[Co][nan]3[ASR]17,ja0c09466_si_001_ASR_pacman,-,unknown,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][OH0] MOFid-v2.UNKNOWN.cat0;ja0c09466_si_001_ASR_pacman,3.33349,2.48339,3.32413,1.6623,0,0,0,0,0,0,860.966,0.4218,0.253745,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 31,144,Co,No,N/A,PACMAN-DDEC6,13.35510912,0.842164033,0.005906705,0.934599479,0.008325851,1.029647764,0.005188624,0.001874837,0.279277367,153,SI,10.1021/jacs.0c09466,2020,2020/9/29,ACS,All Solvent Removed,TRUE,332.3,0.9200479,0.401,strong,
1164,2020[Co][nan]3[ASR]18,ja0c09466_si_002_ASR_pacman,-,[Co].[O-]C(=O)c1cc(O)c(c(c1)O)[O] MOFid-v1.unknown.cat0;ja0c09466_si_002_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][OH0] MOFid-v2.UNKNOWN.cat0;ja0c09466_si_002_ASR_pacman,3.38529,2.62935,3.37797,1.6268,0,0,0,0.999107,4.79025,2.94458,881.838,0.4228,0.259897,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 31,144,Co,No,N/A,PACMAN-DDEC6,13.35510912,0.842751826,0.005994514,0.938762269,0.008708141,1.032033487,0.005009118,0.001892817,0.275363383,153,SI,10.1021/jacs.0c09466,2020,2020/9/29,ACS,All Solvent Removed,FALSE,331.1,0.9198421,0.401,strong,
1165,2020[Zr][sod]3[ASR]1,ja0c10007_si_003_ASR_pacman,-,[O-]C(=O)c1cc(C)c(c(c1)C)c1cccc(c1)c1c(C)cc(cc1C)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.ERROR.cat0;ja0c10007_si_003_ASR_pacman,[C12H4O32Zr6_Type-5].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][O-1] MOFid-v2.ERROR.cat0;ja0c10007_si_003_ASR_pacman,38.91559,21.05336,38.91559,0.345229,11099.3,1319.86,3823.14,0,0,0,72539.7,0.8626,2.49863,16.8188,0.0002,0.000579326,3,sod,unnamed,sod,unnamed,1,3,-I 4 2 3,229,Zr,No,N/A,PACMAN-DDEC6,9.522386144,0.929957827,0.047007972,1.033569858,0.081349739,1.118115736,0.079457973,0.001881579,0.368661793,1836,SI,10.1021/jacs.0c10007,2020,2020/11/19,ACS,All Solvent Removed,TRUE,369.5,0.852751,0.827692308,weak,
1166,2011[Zn][rob]3[ASR]2,ja106851d_si_001_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].[Zn][Zn].n1ccc(cc1)c1ccncc1 MOFid-v1.rob.cat0;ja106851d_si_001_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;ja106851d_si_001_ASR_pacman,4.73011,2.94949,4.70899,1.2762,0,0,0,192.814,463.435,363.136,2011.21,0.4834,0.37878,0,0,0,3,rob,unnamed,rob,unnamed,2,3,-P 2a 2ac,54,Zn,No,N/A,PACMAN-DDEC6,10.51795474,0.878309779,0.034297417,0.997147062,0.065280737,1.032651613,0.078121002,0.001543418,0.429173067,304,SI,10.1021/ja106851d,2011,2011/3/8,ACS,All Solvent Removed,FALSE,322,0.9253997,0.644270106,weak,
1167,2011[Zn][sod]3[ASR]3,ja202154j_si_002_ASR_pacman,-,unknown,[Zn1_Type-1].[C][C][=N][C][=C][NH0][Ring1][Branch1].[C][C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.sod.cat0;ja202154j_si_002_ASR_pacman,11.46282,3.40958,11.45366,0.924167,357.095,1455.42,1574.84,0,0,0,1592.36,0.649,0.702254,0,0,0,3,sod,unnamed,sod,unnamed,1,3,I -4 2 3,217,Zn,No,N/A,PACMAN-DDEC6,9.894426087,0.905530962,0.061862142,0.949113629,0.104158077,1.019862616,0.08400917,0.001143317,0.55800828,138,SI,10.1021/ja202154j,2011,2011/5/19,ACS,All Solvent Removed,TRUE,247.2,0.9126464,0.971052632,weak,
1168,0000[CrMn][qtz]3[ASR]1,ja206917z_si_001_ASR_pacman,-,[Cr].[Mn].[O-]C(=O)C(=O)[O-] MOFid-v1.ERROR.cat0;ja206917z_si_001_ASR_pacman,unknown,5.82674,4.72231,5.82674,1.30832,388.397,742.352,567.407,0.0760061,0.145272,0.111037,2899.56,0.5542,0.423595,0,0,0,3,qtz,unnamed,qtz,unnamed,1,3,P 65 2 (0 0 1),179,"Cr,Mn",No,N/A,PACMAN-DDEC6,17.6165191,0.783818277,0.014153287,0.858317499,0.017296439,0.906705692,0.011743381,0.001228874,0.419507869,234,SI,10.1021/ja0c07257,unknown,unknown,ACS,All Solvent Removed,FALSE,349.9,0.6692447,0.39,weak,
1169,2012[Zn][nan]3[ASR]9,ja300034j_si_002_ASR_pacman,-,unknown,unknown,16.80407,16.72041,16.80407,0.713223,383.284,1368.54,1918.81,0,0,0,2168.85,0.7744,1.08578,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 32 2""",154,Zn,Yes,Zn,PACMAN-DDEC6,14.31978,0.741097828,0.016045792,0.830626857,0.027458239,0.880537695,0.033024747,0.001394399,0.329381256,84,SI,10.1021/ja300034j,2012,2012/4/12,ACS,All Solvent Removed,FALSE,364.3,0.953156,0.510643223,weak,
1170,2012[Cd][nan]3[ASR]5,ja302110d_si_001_ASR_pacman,-,"O=C1O[Cd]2345OC(=O)c6ccc(-c7cc8c(-c9ccc1cc9)cc([O])c(-c1c(cc(-c9ccc([C](O2)O3)cc9)c2cc(-c3ccc([C](O4)O5)cc3)ccc12)[O])c8cc7)cc6.[Cd] MOFid-v1.ERROR,unknown.cat0;ja302110d_si_001_ASR_pacman",unknown,8.24343,6.46185,8.09702,0.864641,744.659,1967.18,2275.14,0,0,0,2510.49,0.6632,0.767024,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,C 2y,5,Cd,Yes,Cd,PACMAN-DDEC6,11.73238286,0.795819641,0.025324988,0.911795713,0.038681185,0.971595019,0.056018387,0.001757754,0.277856298,168,SI,10.1021/ja302110d,2012,2012/5/24,ACS,All Solvent Removed,FALSE,332.8,0.5461598,0.73,superstrong_high_loading,
1171,2012[CuCd][hex]3[ASR]1,ja302380x_si_003_ASR_pacman,-,unknown,unknown,6.15862,4.38483,5.85392,1.07794,1422.86,1739.18,1613.43,0,0,0,4912,0.6004,0.556988,0,0,0,3,hex,unnamed,hex,unnamed,1,3,P 2ac 2ab,19,"Cu,Cd",Yes,"Cu,Cd",PACMAN-DDEC6,11.25167492,0.820925182,0.031532127,0.911447728,0.050832813,0.993387495,0.044961514,0.001724623,0.304968706,472,SI,10.1021/ja302380x,2012,2012/5/11,ACS,All Solvent Removed,FALSE,348,0.791072,0.800598086,weak,
1172,2012[Zn][acs]3[ASR]3,ja305196u_si_002_ASR_pacman,-,[O-]C=O.[Zn] MOFid-v1.acs.cat0;ja305196u_si_002_ASR_pacman,[Zn1_Type-1].[O-1][C][=O] MOFid-v2.acs.cat0;ja305196u_si_002_ASR_pacman,2.92274,2.44411,2.92274,1.76481,0,0,0,0,0,0,165.966,0.44,0.249318,0,0,0,3,acs,unnamed,acs,unnamed,1,3,P 6c 2c,182,Zn,No,N/A,PACMAN-DDEC6,15.41787077,0.782204642,0.041755676,0.850076838,0.051720019,0.806578249,0.090076304,0.000243736,0.72764562,26,SI,10.1021/ja305196u,2012,2012/7/10,ACS,All Solvent Removed,FALSE,195.5,0.9467557,0.474407801,superweak,
1173,2012[Zn][acs]3[ASR]4,ja305196u_si_003_ASR_pacman,-,[O-]C=O.[Zn] MOFid-v1.acs.cat0;ja305196u_si_003_ASR_pacman,[Zn1_Type-1].[O-1][C][=O] MOFid-v2.acs.cat0;ja305196u_si_003_ASR_pacman,2.899,2.42506,2.899,1.77399,0,0,0,0,0,0,163.982,0.437,0.246337,0,0,0,3,acs,unnamed,acs,unnamed,1,3,P 6c 2c,182,Zn,No,N/A,PACMAN-DDEC6,15.41787077,0.781337506,0.042314781,0.850604698,0.051474557,0.795197091,0.091421413,0.000138596,0.760537884,26,SI,10.1021/ja305196u,2012,2012/7/10,ACS,All Solvent Removed,FALSE,195.1,0.9467546,0.474407801,superweak,
1174,2012[Zn][acs]3[ASR]5,ja305196u_si_004_ASR_pacman,-,[O-]C=O.[Zn] MOFid-v1.acs.cat0;ja305196u_si_004_ASR_pacman,[Zn1_Type-1].[O-1][C][=O] MOFid-v2.acs.cat0;ja305196u_si_004_ASR_pacman,2.88489,2.41029,2.88489,1.7796,0,0,0,0,0,0,162.642,0.4348,0.244325,0,0,0,3,acs,unnamed,acs,unnamed,1,3,P 6c 2c,182,Zn,No,N/A,PACMAN-DDEC6,15.41787077,0.77930788,0.045290732,0.845434482,0.055633822,0.786172617,0.091017668,6.86E-05,0.779611746,26,SI,10.1021/ja305196u,2012,2012/7/10,ACS,All Solvent Removed,FALSE,194.8,0.94675416,0.474407801,superweak,
1175,2012[Zn][nia]3[ASR]1,ja308995t_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;ja308995t_si_002_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja308995t_si_002_ASR_pacman,6.89226,6.44672,6.87623,1.15816,245.794,1058.97,914.349,0,0,0,1240.38,0.5344,0.46142,0,0,0,3,nia,unnamed,unnamed,unnamed,1,3,-P 2yb,11,Zn,No,N/A,PACMAN-DDEC6,10.65000895,0.84942852,0.039332068,0.993836082,0.043755951,1.046995592,0.058344325,0.001975671,0.271935317,152,SI,10.1021/ja308995t,2012,2012/12/6,ACS,All Solvent Removed,TRUE,343.6,0.9564738,0.3,weak,
1176,2012[Zn][sql]2[ASR]1,ja308995t_si_003_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat0;ja308995t_si_003_ASR_pacman,[C4O8Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;ja308995t_si_003_ASR_pacman,5.94412,5.16816,5.94094,1.15045,133.582,1143.36,993.843,0,0,0,603.79,0.5168,0.449217,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2y,10,Zn,Yes,Zn,PACMAN-DDEC6,10.65000895,0.869943079,0.02929362,0.992316477,0.054385457,1.053295106,0.069384043,0.00183352,0.330119463,76,SI,10.1021/ja308995t,2012,2012/12/6,ACS,All Solvent Removed,FALSE,343.1,0.8617116,0.67,weak,
1177,2013[Cd][rtl]3[ASR]2,ja4015666_si_005_ASR_pacman,-,[Cd][Cd].[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.rtl.cat0;ja4015666_si_005_ASR_pacman,[C6Cd2O12_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl.cat0;ja4015666_si_005_ASR_pacman,9.96128,8.95998,9.96128,0.695322,845.907,2238.28,3219.06,0,0,0,2817.07,0.7454,1.07202,0,0,0,3,rtl,unnamed,rtl,unnamed,1,2,P 1,1,Cd,No,N/A,PACMAN-DDEC6,13.64218897,0.76361624,0.002575758,0.855044328,0.003118849,0.944936221,0.003314521,0.0018132,0.21991233,116,SI,10.1021/ja4015666,2013,2013/4/10,ACS,All Solvent Removed,FALSE,363.5,0.9190923,0.62,weak,
1178,2013[Zn][nan]3[ASR]9,ja403810k_si_002_ASR_pacman,-,NC1=C2N=CN=C2N=C[N]1.[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[Zn].[Zn]O[Zn] MOFid-v1.unknown.cat0;ja403810k_si_002_ASR_pacman,[C2O4Zn1_Type-1].[C2O5Zn2_Type-1].[N][C][=C][N][=C][N][=C][Ring1][Branch1][N][=C][NH0][Ring1][=Branch2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja403810k_si_002_ASR_pacman,24.11442,19.56277,24.09923,0.396669,13102.2,1097.43,2766.61,0,0,0,101601,0.851,2.14536,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-I 4bd 2c 3,230,Zn,Yes,Zn,PACMAN-DDEC6,12.00280646,0.82402363,0.020267303,0.926083519,0.043377283,0.978092244,0.057236724,0.001540686,0.370159654,2376,SI,10.1021/ja403810k,2013,2013/5/22,ACS,All Solvent Removed,TRUE,426.8,0.8578346,0.498571429,none,
1179,2013[ZnCr][lon]3[ASR]1,ja406030p_si_002_ASR_pacman,-,Brc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cr][O]([Cr])[Cr].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_002_ASR_pacman,[C4O8Zn2_Type-1].[C6Cr3O13_Type-1].[Br][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.lon-e.cat0;ja406030p_si_002_ASR_pacman,11.79013,6.60797,9.25557,0.794772,2608.8,2266.11,2851.27,0,0,0,8562.82,0.7438,0.935866,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,3,-P 6c 2c,194,"Zn,Cr",Yes,Cr,PACMAN-DDEC6,14.97251402,0.716079067,0.019062369,0.785978241,0.032876868,0.838180767,0.044622907,0.001221017,0.352723409,368,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,357.8,0.79547346,0.417089947,weak,manual curation
1180,2013[ZnCr][lon]3[ASR]2,ja406030p_si_003_ASR_pacman,-,[Cr][O]([Cr])[Cr].[O-]C(=O)c1ccc(o1)C(=O)[O-].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_003_ASR_pacman,[C4O8Zn2_Type-1].[C6Cr3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.lon-e.cat0;ja406030p_si_003_ASR_pacman,14.29207,10.12824,14.27136,0.648977,2082.59,1832,2822.91,0,0,0,8810.07,0.775,1.19419,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,3,-P 6c 2c,194,"Zn,Cr",Yes,"Zn,Cr",PACMAN-DDEC6,13.38155988,0.794562183,0.023217198,0.867235441,0.036238782,0.949704827,0.051133084,0.001551426,0.327501562,332,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,307.8,0.76964045,0.413571429,strong,
1181,2013[ZnCr][lon]3[ASR]3,ja406030p_si_005_ASR_pacman,-,Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cr][O]([Cr])[Cr].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_005_ASR_pacman,[C4O8Zn2_Type-1].[C6Cr3O13_Type-1].[C][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.lon-e.cat0;ja406030p_si_005_ASR_pacman,11.32485,7.62193,11.32485,0.677748,2501.33,2157.65,3183.56,0,0,0,8694.62,0.75,1.10661,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,3,C -2yc,9,"Zn,Cr",Yes,Cr,PACMAN-DDEC6,11.71151337,0.836086306,0.022702129,0.936309282,0.039136901,0.999730638,0.052316856,0.001636443,0.351286912,404,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,389.4,0.7976301,0.359571429,weak,manual curation
1182,2013[ZnCr][lon]3[ASR]4,ja406030p_si_006_ASR_pacman,-,Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cr][O]([Cr])[Cr].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_006_ASR_pacman,[C4O8Zn2_Type-1].[C6Cr3O13_Type-1].[N][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.lon-e.cat0;ja406030p_si_006_ASR_pacman,12.38016,7.20357,12.38016,0.687816,2407.12,2101.96,3055.99,0,0,0,8600.27,0.751,1.09186,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,2,-P 6c 2c,194,"Zn,Cr",Yes,Cr,PACMAN-DDEC6,12.10027582,0.832070869,0.033036566,0.924336134,0.049866644,0.980970063,0.063005098,0.001488992,0.391311845,392,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,342.3,0.86777306,0.418571429,weak,manual curation
1183,2013[ZnCr][lon]3[ASR]5,ja406030p_si_007_ASR_pacman,-,[Cr][O]([Cr])[Cr].[O-]C(=O)c1cc(cc(c1)N(=O)=O)C(=O)[O-].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_007_ASR_pacman,unknown,11.05144,8.49257,11.05144,0.735801,2463.61,2139.12,2907.21,0,0,0,8499.47,0.738,1.00299,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,3,-P 6c 2c,194,"Zn,Cr",Yes,"Zn,Cr",PACMAN-DDEC6,13.01812031,0.832783184,0.023426682,0.921960264,0.035749035,0.976350472,0.047998181,0.001435673,0.407879133,392,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,360,0.74479365,0.408571429,weak,manual curation
1184,2013[ZnCr][lon]3[ASR]6,ja406030p_si_008_ASR_pacman,-,[Cr][O]([Cr])[Cr].[O-]C(=O)C1=C[C]=CC(=C1)C(=O)[O-].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_008_ASR_pacman,unknown,11.82924,9.14708,11.82924,0.688549,2363.47,2055.69,2985.53,0,0,0,8655.1,0.7528,1.09331,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,3,-P 6c 2c,194,"Zn,Cr",Yes,Cr,PACMAN-DDEC6,12.16127684,0.823587835,0.033096065,0.915951371,0.050391519,0.973802633,0.062933265,0.001502148,0.378695486,392,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,366.5,0.9462795,0.408571429,weak,manual curation
1185,2013[ZnCr][lon]3[ASR]7,ja406030p_si_009_ASR_pacman,-,COc1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cr][O]([Cr])[Cr].[O-]C(=O)c1ccncc1.[Zn][Zn] MOFid-v1.lon-e.cat0;ja406030p_si_009_ASR_pacman,[C4O8Zn2_Type-1].[C6Cr3O13_Type-1].[C][O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.lon-e.cat0;ja406030p_si_009_ASR_pacman,11.54376,6.59796,11.54376,0.708658,2553.33,2213.16,3123.02,0,0,0,8482.03,0.7352,1.03745,0,0,0,3,lon-e,unnamed,lon-e,unnamed,1,3,P 1,1,"Zn,Cr",Yes,Cr,PACMAN-DDEC6,11.8352024,0.853459647,0.029235042,0.934725994,0.050264783,0.993428534,0.067626092,0.001399689,0.43731362,416,SI,10.1021/ja406030p,2013,2013/9/11,ACS,All Solvent Removed,FALSE,363.7,0.81862646,0.398571429,weak,manual curation
1186,2014[Zr][fcu]3[ASR]1,ja500330a_si_006_ASR_pacman,MOF-801,unknown,[C12H4O32Zr6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;ja500330a_si_006_ASR_pacman,12.20585,6.15217,12.20585,0.793444,4158.22,2147.86,2707.02,0,0,0,13683.5,0.7068,0.8908,3.87196,0.0002,0.000252066,3,fcu,unnamed,fcu,unnamed,1,3,P 1,1,Zr,No,N/A,PACMAN-DDEC6,12.43349075,0.835614676,0.009038507,0.940155683,0.009342354,1.040182018,0.008987991,0.002045673,0.222665096,744,SI,10.1021/ja500330a,2014,2014/3/11,ACS,All Solvent Removed,FALSE,337.7,0.8268509,0.137076923,strong,manual curation
1187,2014[Zn][pcu]3[ASR]10,ja5063423_si_002_ASR_pacman,-,[O-]C(=O)C1=CN=N[CH]1.[O-]C(=O)[C]1C=NN=C1.[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.fff.cat0;ja5063423_si_002_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][N][=N][CH1][Ring1][Branch1].[O-1][C][=Branch1][C][=O][CH0][C][=N][N][=C][Ring1][Branch1] MOFid-v2.fff.cat0;ja5063423_si_002_ASR_pacman,10.81396,5.19047,10.78354,0.995074,485.554,2393.71,2405.56,0,0,0,1473.47,0.7264,0.729996,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,F 2 2 3,196,Zn,Yes,Zn,PACMAN-DDEC6,17.36377257,0.670852363,0.016368362,0.742248752,0.023744137,0.801365808,0.033699393,0.001305134,0.281358585,70,SI,10.1021/ja5063423,2014,2014/9/30,ACS,All Solvent Removed,TRUE,354.1,0.76906085,0.592043011,weak,
1188,2014[Cu][dia]3[ASR]1,ja506357n_si_002_1_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)n1ncnc1 MOFid-v1.dia.cat1;ja506357n_si_002_1_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.dia.cat1;ja506357n_si_002_1_ASR_pacman,4.6846,4.2919,4.67468,1.31892,170.467,769.511,583.442,0,0,0,1043.83,0.4712,0.357263,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-P 2a 2bc,52,Cu,Yes,Cu,PACMAN-DDEC6,10.72857756,0.893673691,0.029276496,1.020853394,0.047638067,1.072372962,0.063841685,0.001786993,0.370185898,164,SI,10.1021/ja506357n,2014,2014/7/29,ACS,All Solvent Removed,FALSE,340.2,0.9173101,0.890905172,weak,
1189,2014[Cu][dia]3[ASR]2,ja506357n_si_002_2_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)n1ncnc1 MOFid-v1.dia.cat1;ja506357n_si_002_2_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.dia.cat1;ja506357n_si_002_2_ASR_pacman,4.82927,4.36265,4.81894,1.31666,173.751,782.995,594.685,0,0,0,1045.62,0.4712,0.357876,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-P 2a 2bc,52,Cu,Yes,Cu,PACMAN-DDEC6,10.72857756,0.893861275,0.02969389,1.004649739,0.061326448,1.050074463,0.069908742,0.001562132,0.436115674,164,SI,10.1021/ja506357n,2014,2014/7/29,ACS,All Solvent Removed,TRUE,341,0.919353,0.890905172,weak,
1190,2014[Cu][dia]3[ASR]3,ja506357n_si_002_3_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)n1ncnc1 MOFid-v1.dia.cat1;ja506357n_si_002_3_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.dia.cat1;ja506357n_si_002_3_ASR_pacman,4.90987,4.45412,4.90987,1.30126,185.609,826.649,635.27,0,0,0,1057.55,0.471,0.361958,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-P 2a 2bc,52,Cu,Yes,Cu,PACMAN-DDEC6,10.72857756,0.892610265,0.031039133,0.999944278,0.061430695,1.048357462,0.069862584,0.001557472,0.43518882,164,SI,10.1021/ja506357n,2014,2014/7/29,ACS,All Solvent Removed,FALSE,344.4,0.91853034,0.900905172,weak,
1191,2014[Cu][dia]3[ASR]4,ja506357n_si_002_4_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)n1ncnc1 MOFid-v1.dia.cat1;ja506357n_si_002_4_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.dia.cat1;ja506357n_si_002_4_ASR_pacman,4.83497,4.37925,4.83497,1.30952,175.588,786.984,600.97,0,0,0,1049.09,0.4702,0.359062,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-P 2a 2bc,52,Cu,Yes,Cu,PACMAN-DDEC6,10.72857756,0.891423417,0.02995814,1.001836996,0.061302167,1.047481191,0.070273429,0.001560578,0.434044993,164,SI,10.1021/ja506357n,2014,2014/7/29,ACS,All Solvent Removed,TRUE,342.6,0.91861904,0.900905172,weak,
1192,2014[Cu][dia]3[ASR]5,ja506357n_si_002_5_ASR_pacman,-,[Cu].[O-]C(=O)c1ccc(cc1)n1ncnc1 MOFid-v1.dia.cat1;ja506357n_si_002_5_ASR_pacman,[C2Cu1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1] MOFid-v2.dia.cat1;ja506357n_si_002_5_ASR_pacman,4.61455,4.16515,4.61401,1.33735,159.038,727.959,544.328,0,0,0,994.92,0.4554,0.340523,0,0,0,3,dia,unnamed,dia,unnamed,4,3,-P 2a 2bc,52,Cu,Yes,Cu,PACMAN-DDEC6,10.72857756,0.89445183,0.029299717,1.003360655,0.061011911,1.051753093,0.069521061,0.001573013,0.432634102,164,SI,10.1021/ja506357n,2014,2014/7/29,ACS,All Solvent Removed,FALSE,337.2,0.92052084,0.890905172,weak,
1193,2014[Zr][fcu]3[ASR]2,ja507947d_si_001_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.fcu.cat0;ja507947d_si_001_ASR_pacman,[C12H4O32Zr6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat0;ja507947d_si_001_ASR_pacman,17.52486,9.15991,17.52486,0.493165,7066.28,2035.73,4127.88,0,0,0,27984.3,0.8062,1.63475,6.94228,0.0002,0.000405544,3,fcu,unnamed,fcu,unnamed,1,3,P 1,1,Zr,No,N/A,PACMAN-DDEC6,11.01372752,0.866864884,0.007753389,0.98591993,0.007480992,1.103501746,0.006427103,0.002366369,0.157199838,936,SI,10.1021/ja507947d,2014,2014/9/15,ACS,All Solvent Removed,FALSE,370.1,0.3114614,0.727692308,weak,manual curation
1194,2014[FeZr][soc]3[ASR]1,ja5103103_si_002_ASR_pacman,-,O[Zr]123(O)[OH]4[Zr]56([O]3[Zr]37([OH]2[Zr]28([O]1[Zr]14([O]6[Zr]([OH]53)([OH]21)([O]78)(O)O)(O)O)(O)O)(O)O)(O)O.[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Fe]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)C(=O)[O-])cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.soc.cat0;ja5103103_si_002_ASR_pacman,unknown,16.95031,14.45168,16.94349,0.50204,9169.7,1616.08,3219.03,0,0,0,46617.9,0.8216,1.63652,0,0,0,3,soc,unnamed,unnamed,unnamed,1,3,P 1,1,"Fe,Zr",Yes,Fe,PACMAN-DDEC6,12.65083056,0.791129623,0.012049685,0.892827802,0.013089515,0.999748637,0.010630023,0.00208619,0.16440214,1356,SI,10.1021/ja5103103,2014,2014/11/17,ACS,All Solvent Removed,FALSE,455,0.8905704,0.93,none,manual curation
1195,2016[NiZr][ftw]3[ASR]1,ja5111317_ja5111317_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C1=C2C=CC3=[N]2[Ni]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)c2ccc(cc2)C(=O)[O-])cc1)c1ccc(cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.ftw.cat0;ja5111317_ja5111317_si_002_ASR_pacman,unknown,21.37941,8.74134,20.98907,0.420413,3095.02,1900.61,4520.82,0,0,0,13382.4,0.8218,1.95474,3.25686,0.0002,0.000475722,3,ftw,unnamed,unnamed,unnamed,1,3,P 1,1,"Ni,Zr",Yes,Ni,PACMAN-DDEC6,10.4905373,0.875336911,0.005645716,1.00361642,0.005874294,1.126723221,0.005086218,0.002513863,0.122040105,393,SI,10.1021/ja5111317,2016,2016/4/5,ACS,All Solvent Removed,FALSE,388.2,0.5355874,0.81,weak,manual curation
1196,2016[Co][nan]3[ASR]24,ja512437u_si_003_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C1=C(SC(=C2SC(=C(S2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])S1)c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;ja512437u_si_003_ASR_pacman,[Co1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Branch1][Ring2][S][C][=Branch2][Ring2][O][=C][S][C][=Branch2][Ring1][=Branch1][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][S][Ring2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja512437u_si_003_ASR_pacman,5.6621,4.62841,5.66105,1.17377,925.338,1365.02,1162.94,0,0,0,3565.72,0.526,0.44813,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 61,169,Co,Yes,Co,PACMAN-DDEC6,12.47831922,0.824043798,0.02141344,0.933393053,0.035161472,0.987507982,0.048677748,0.001634642,0.342856972,384,SI,10.1021/ja512437u,2016,2016/1/18,ACS,All Solvent Removed,FALSE,334.8,0.54611075,0.6,strong_high_loading,
1197,2016[Cd][nan]3[ASR]30,ja512437u_si_004_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)C1=C(SC(=C2SC(=C(S2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])S1)c1ccc(cc1)C(=O)[O-].[O][Cd] MOFid-v1.unknown.cat0;ja512437u_si_004_ASR_pacman,[Cd1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Branch1][Ring2][S][C][=Branch2][Ring2][O][=C][S][C][=Branch2][Ring1][=Branch1][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][S][Ring2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja512437u_si_004_ASR_pacman,5.67149,4.60011,5.66519,1.32942,922.934,1336.29,1005.17,0,0,0,3566.62,0.5164,0.38844,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 65,170,Cd,Yes,Cd,PACMAN-DDEC6,14.17796062,0.739067109,0.01892366,0.833844705,0.030273927,0.885025106,0.041154757,0.00145958,0.308459315,390,SI,10.1021/ja512437u,2016,2016/1/18,ACS,All Solvent Removed,FALSE,341.9,0.5835171,0.65,weak,
1198,2015[Zr][ftw]3[ASR]1,ja512973b_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1cc(c2cc(C)c(cc2C)c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1cc(C)c(cc1C)c1ccc(cc1)C(=O)[O-])c1cc(C)c(cc1C)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.ftw.cat0;ja512973b_si_002_ASR_pacman,[C12H4O32Zr6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=Ring2][Ring1][#Branch1][C][=C][C][C][Ring1][=Branch1][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch2][Ring2][C][=C][C][=Ring1][Branch2][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ftw.cat0;ja512973b_si_002_ASR_pacman,17.75046,8.47189,17.75046,0.458587,3220.91,2243.32,4891.82,0,0,0,11273.7,0.7852,1.71222,2.87155,0.0002,0.000436122,3,ftw,unnamed,ftw,unnamed,1,3,P 1,1,Zr,No,N/A,PACMAN-DDEC6,9.178431574,0.948711331,0.008752514,1.097181303,0.009540074,1.236378237,0.007471844,0.002876669,0.087256119,432,SI,10.1021/ja512973b,2015,2015/3/9,ACS,All Solvent Removed,FALSE,376.1,0.6113442,0.72,weak,manual curation
1199,2015[Zr][ftw]3[ASR]2,ja512973b_si_003_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)c1ccc(cc1)C(=O)[O-])C=C3)c1ccc(cc1)c1ccc(cc1)C(=O)[O-])[nH]2)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.ftw.cat0;ja512973b_si_003_ASR_pacman,[C12H4O32Zr6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch2][#Branch1][#Branch2][=C][C][=C][C][=Branch2][=Branch1][#C][=C][Branch2][Branch1][C][C][=N][C][=Branch2][Ring2][#Branch1][=C][Branch1][O][C][NH1][C][Ring2][Ring1][Ring1][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH1][Ring2][Ring2][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ftw.cat0;ja512973b_si_003_ASR_pacman,21.33814,8.58272,21.29638,0.403686,3073.7,1890.38,4682.8,0,0,0,13339.4,0.8204,2.03227,3.25193,0.0002,0.000495434,3,ftw,unnamed,xxv,unnamed,1,3,P 1,1,Zr,No,N/A,PACMAN-DDEC6,9.981688384,0.907589322,0.005408123,1.041595407,0.005856878,1.17168147,0.005002904,0.002640921,0.115966215,396,SI,10.1021/ja512973b,2015,2015/3/9,ACS,All Solvent Removed,FALSE,395.4,0.84457,0.67,weak,manual curation
1200,2015[Zr][ftw]3[ASR]3,ja512973b_si_005_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-])C=C3)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-])[nH]2)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.ftw.cat0;ja512973b_si_005_ASR_pacman,[C12H4O32Zr6_Type-3].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch2][#Branch1][=C][=C][C][=C][C][=Branch2][#Branch1][Ring1][=C][Branch2][Branch1][Ring2][C][=N][C][=Branch2][Ring2][=Branch2][=C][Branch1][O][C][NH1][C][Ring2][Ring1][Ring1][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH1][Ring2][Branch1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ftw.cat0;ja512973b_si_005_ASR_pacman,25.24149,10.49588,25.19791,0.291153,3860.24,1595.92,5481.37,0,0,0,21005,0.8684,2.98262,4.83764,0.0002,0.000686924,3,ftw,unnamed,xxv,unnamed,1,2,R 3,146,Zr,No,N/A,PACMAN-DDEC6,10.0976319,0.92792682,0.009057734,1.06093884,0.005855553,1.185052781,0.007827807,0.00257126,0.15803195,420,SI,10.1021/ja512973b,2015,2015/3/9,ACS,All Solvent Removed,FALSE,421.5,0.74360436,0.66,weak,manual curation
1201,2015[Zn][pcu]3[ASR]6,ja5131269_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1;ja5131269_si_002_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;ja5131269_si_002_ASR_pacman,10.86811,8.81679,10.85041,0.665684,2343.99,2353.4,3535.31,0,0,0,7573.58,0.7604,1.14228,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2y,12,Zn,No,N/A,PACMAN-DDEC6,12.02592964,0.794581608,0.03111461,0.895404575,0.038918665,0.957219964,0.058851494,0.001626384,0.313167803,332,SI,10.1021/ja5131269,2015,2015/2/9,ACS,All Solvent Removed,FALSE,431.5,0.92331684,0.142,weak,
1202,2015[Zn][pcu]3[ASR]7,ja5131269_si_003_ASR_pacman,-,[O-]C(=O)C1=C[CH]C(C=C1)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1;ja5131269_si_003_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][CH1][C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;ja5131269_si_003_ASR_pacman,10.97178,8.95221,10.97139,0.663582,1163.39,2326.4,3505.83,0,0,0,3812.62,0.7624,1.14892,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-C 2y,12,Zn,No,N/A,PACMAN-DDEC6,11.8947631,0.799844716,0.029049554,0.900996658,0.040445126,0.957016416,0.05738353,0.001571717,0.335851643,168,SI,10.1021/ja5131269,2015,2015/2/9,ACS,All Solvent Removed,TRUE,428.5,0.9138403,0.152,weak,
1203,2015[Zn][ith]3[ASR]1,ja5b00365_si_002_1_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc2-c3c(C(c2c1)(C)C)c1-c2ccc(cc2C(c1c1-c2c(C(c31)(C)C)cc(cc2)C(=O)[O-])(C)C)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.ith-d.cat0;ja5b00365_si_002_1_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Ring1][C][=Ring1][=Branch2][C][C][=C][Branch1][=C][C][Branch1][#Branch1][C][Ring2][Ring1][Branch1][=Ring1][Branch1][Branch1][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O-1][Branch1][C][C][C][C][=Branch1][C][=O][O-1] MOFid-v2.ith-d.cat0;ja5b00365_si_002_1_ASR_pacman,21.77624,7.63056,21.77624,0.452533,5463.98,2033.34,4493.24,0,0,0,22196.2,0.826,1.82528,0,0,0,3,ith-d,unnamed,ith-d,unnamed,1,3,-P 2 2 3,200,Zn,No,N/A,PACMAN-DDEC6,10.34302525,0.876245875,0.037839111,0.9403575,0.072080983,1.005873021,0.078511584,0.001296271,0.487130455,708,SI,10.1021/jacs.5b00365,2015,2015/3/5,ACS,All Solvent Removed,TRUE,367.4,0.8122989,0.72,none,
1204,2015[Zn][ith]3[ASR]2,ja5b00365_si_002_2_ASR_pacman,-,CCC1(CC)c2cc(ccc2-c2c1c1-c3ccc(cc3C(c1c1-c3c(C(c21)(CC)CC)cc(cc3)C(=O)[O-])(CC)CC)C(=O)[O-])C(=O)[O-].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.ith-d.cat0;ja5b00365_si_002_2_ASR_pacman,[C6O13Zn4_Type-1].[C][C][C][Branch1][Ring1][C][C][C][=C][C][=Branch2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][=C][C][=C][Branch2][Branch1][C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Ring2][C][=Ring1][=Branch2][C][C][=C][Branch1][#C][C][Branch1][=Branch1][C][Ring1][S][=Ring1][Branch1][Branch1][Ring1][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][O-1][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ith-d.cat0;ja5b00365_si_002_2_ASR_pacman,19.35863,7.23576,19.35863,0.494223,5862.09,2181.86,4414.73,0,0,0,21327.3,0.7938,1.60616,0,0,0,3,ith-d,unnamed,ith-d,unnamed,1,3,-P 2 2 3,200,Zn,No,N/A,PACMAN-DDEC6,9.385138169,0.921070193,0.049690165,0.985224985,0.096183183,1.03984412,0.096954489,0.001187739,0.56633769,852,SI,10.1021/jacs.5b00365,2015,2015/3/5,ACS,All Solvent Removed,TRUE,391.8,0.88109875,0.79,weak,
1205,2015[Zn][ith]3[ASR]3,ja5b00365_si_002_4_ASR_pacman,-,unknown,[C6O13Zn4_Type-1].[C][C][C][C][Branch1][Ring2][C][C][C][C][=C][C][=Branch2][=Branch1][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=Branch1][C][=Ring1][=Branch2][C][C][=C][Branch1][P][C][Branch1][=Branch1][C][Ring1][S][=Ring1][Branch1][Branch1][Ring2][C][C][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O-1][Branch1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ith-d.cat0;ja5b00365_si_002_4_ASR_pacman,16.40548,6.2544,14.45084,0.540663,6709.49,2519.76,4660.5,0,0,0,20471.2,0.7688,1.42196,0,0,0,3,ith-d,unnamed,ith-d,unnamed,1,3,-P 2 2 3,200,Zn,No,N/A,PACMAN-DDEC6,8.704230482,0.96300098,0.059767078,1.048516836,0.105806975,1.093109165,0.106708342,0.001301082,0.579497009,996,SI,10.1021/jacs.5b00365,2015,2015/3/5,ACS,All Solvent Removed,TRUE,438.7,0.79839814,0.08,weak,
1206,2015[Zn][ith]3[ASR]4,ja5b00365_si_002_5_ASR_pacman,-,unknown,[C6O13Zn4_Type-1].[C][C][C][C][Branch1][Ring2][C][C][C][C][=C][C][=Branch2][=Branch1][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=Branch1][C][=Ring1][=Branch2][C][C][=C][Branch1][P][C][Branch1][=Branch1][C][Ring1][S][=Ring1][Branch1][Branch1][Ring2][C][C][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O-1][Branch1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ith-d.cat0;ja5b00365_si_002_5_ASR_pacman,16.7062,6.33558,14.47528,0.543377,6537.18,2467.37,4540.81,0,0,0,20369,0.7688,1.41485,0,0,0,3,ith-d,unnamed,ith-d,unnamed,1,3,-P 2 2 3,200,Zn,No,N/A,PACMAN-DDEC6,8.704230482,0.960607309,0.059079025,1.041484326,0.11138879,1.081105171,0.109567906,0.001204979,0.60598975,996,SI,10.1021/jacs.5b00365,2015,2015/3/5,ACS,All Solvent Removed,TRUE,436.4,0.8110202,0.1,weak,
1207,0000[Zn][ith]3[ASR]1,ja5b00365_si_002_6_ASR_pacman,-,CCCC1(CCC)c2cc(ccc2-c2c1c1-c3ccc(cc3C(c1c1-c3c(C(c21)(CCC)CCC)cc(cc3)C(=O)[O-])(CCC)CCC)C(=O)[O-])C(=O)[O-].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.ith-d.cat0;ja5b00365_si_002_6_ASR_pacman,[C6O13Zn4_Type-1].[C][C][C][C][Branch1][Ring2][C][C][C][C][=C][C][=Branch2][=Branch1][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=Branch1][C][=Ring1][=Branch2][C][C][=C][Branch1][P][C][Branch1][=Branch1][C][Ring1][S][=Ring1][Branch1][Branch1][Ring2][C][C][C][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O-1][Branch1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.ith-d.cat0;ja5b00365_si_002_6_ASR_pacman,16.25601,6.43045,14.33665,0.543673,6523.55,2463.56,4531.34,0,0,0,20342,0.7682,1.41298,0,0,0,3,ith-d,unnamed,ith-d,unnamed,1,2,-P 2 2 3,200,Zn,No,N/A,PACMAN-DDEC6,8.704230482,0.973772357,0.059209041,1.051079371,0.107887935,1.094495562,0.109011531,0.001207232,0.617251216,996,SI,10.1021/jacs.5b00365,unknown,unknown,ACS,All Solvent Removed,TRUE,441.1,0.7972394,0.1,weak,
1208,2016[Cu][nan]3[ASR]3,ja5b12516_si_002_ASR_pacman,-,"C1CN2CCN1CC2.I[Cu]12[Cu]3([Cu]1([Cu]23I)I)I.[Cu].c1cc(cc(c1)C1=Nc2c([N]1)cccc2)C1=Nc2c([N]1)cccc2 MOFid-v1.MISMATCH,ERROR.cat1;ja5b12516_si_002_ASR_pacman","[Cu1_Type-1].[Cu4I4_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1] MOFid-v2.MISMATCH,ERROR.cat1;ja5b12516_si_002_ASR_pacman",8.09458,6.64328,8.08178,1.47307,1694.53,1762.38,1196.4,0,0,0,5799.78,0.6032,0.409485,0,0,0,3,mismatch,unnamed,mismatch,unnamed,2,3,P 61 2 (0 0 -1),178,Cu,Yes,Cu,PACMAN-DDEC6,16.52995023,0.556843456,0.028779285,0.592586459,0.050252707,0.634244615,0.050319529,0.000774012,0.323654121,516,SI,10.1021/jacs.5b12516,2016,2016/1/14,ACS,All Solvent Removed,FALSE,315.1,0.49451193,0.14,weak,
1209,2016[Cu][nan]3[ASR]4,ja5b12516_si_003_ASR_pacman,-,"C1CN2CCN1CC2.I[Cu]12[Cu]3([Cu]1([Cu]23I)I)I.[Cu].c1cc(cc(c1)C1=Nc2c([N]1)cccc2)C1=Nc2c([N]1)cccc2 MOFid-v1.MISMATCH,ERROR.cat1;ja5b12516_si_003_ASR_pacman","[Cu1_Type-1].[Cu4I4_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1] MOFid-v2.MISMATCH,ERROR.cat1;ja5b12516_si_003_ASR_pacman",8.56555,6.75088,8.54117,1.39796,1841.67,1817.74,1300.28,0,0,0,6368.75,0.6286,0.449656,0,0,0,3,mismatch,unnamed,mismatch,unnamed,2,3,P 65 2 (0 0 1),179,Cu,Yes,Cu,PACMAN-DDEC6,16.52995023,0.557718962,0.028310891,0.585081349,0.050611554,0.62967694,0.051056961,0.00071958,0.33897283,516,SI,10.1021/jacs.5b12516,2016,2016/1/14,ACS,All Solvent Removed,TRUE,311.9,0.49114758,0.14,weak,
1210,2016[Cu][nan]3[ASR]5,ja5b12516_si_004_ASR_pacman,-,"C1CN2CCN1CC2.I[Cu]12[Cu]3([Cu]1([Cu]23I)I)I.[Cu].c1cc(cc(c1)C1=Nc2c([N]1)cccc2)C1=Nc2c([N]1)cccc2 MOFid-v1.MISMATCH,ERROR.cat1;ja5b12516_si_004_ASR_pacman","[Cu1_Type-1].[Cu4I4_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][Ring2][NH0][Ring1][Branch1][C][=C][C][=C][Ring1][#Branch1] MOFid-v2.MISMATCH,ERROR.cat1;ja5b12516_si_004_ASR_pacman",8.53443,6.78718,8.51023,1.40015,1829.81,1808.87,1291.91,0,0,0,6381.02,0.6308,0.450522,0,0,0,3,mismatch,unnamed,mismatch,unnamed,2,3,P 61 2 (0 0 -1),178,Cu,Yes,Cu,PACMAN-DDEC6,16.52995023,0.55638361,0.028650646,0.585110633,0.051067324,0.629962165,0.05041704,0.000735786,0.332960532,516,SI,10.1021/jacs.5b12516,2016,2016/1/14,ACS,All Solvent Removed,TRUE,311.8,0.4916361,0.14,none,
1211,2016[Zn][fgl]3[ASR]1,ja6b02030_si_003_ASR_pacman,-,[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;ja6b02030_si_003_ASR_pacman,[Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja6b02030_si_003_ASR_pacman,9.34457,8.66556,9.34457,1.33966,388.296,1607.08,1199.62,0,0,0,1494.15,0.6184,0.461609,0,0,0,3,fgl,unnamed,unnamed,unnamed,1,3,"-R 3 2""c",167,Zn,Yes,Zn,PACMAN-DDEC6,18.04766,0.663783892,0.011752142,0.744793811,0.015733062,0.786295119,0.017003688,0.001225112,0.302834978,108,SI,10.1021/jacs.6b02030,2016,2016/4/26,ACS,All Solvent Removed,TRUE,406.8,0.86741483,0.491785714,weak,
1212,2016[Zr][buh]3[ASR]1,ja6b04608_si_002_ASR_pacman,-,O1[Zr]2O[Zr]3O[Zr]4O[Zr]1O[Zr]1O[Zr](O2)O[Zr](O3)O[Zr](O1)O4.[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-])c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.buh.cat0;ja6b04608_si_002_ASR_pacman,[C12O32Zr6_Type-1].[C12O36Zr8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch2][Ring1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.buh.cat0;ja6b04608_si_002_ASR_pacman,18.84439,11.02909,18.84439,0.389439,21883,1878.13,4822.67,0,0,0,97592.6,0.8376,2.15079,23.3029,0.0002,0.00051356,3,buh,unnamed,buh,unnamed,1,2,-P 4n 2 3,223,Zr,No,N/A,PACMAN-DDEC6,10.72419636,0.848690823,0.041419638,0.917433964,0.06287889,0.999030436,0.084348172,0.001503396,0.395529763,2548,SI,10.1021/jacs.6b04608,2016,2016/7/5,ACS,All Solvent Removed,TRUE,475.1,0.8362975,0.97,none,
1213,2016[Mg][stp]3[ASR]2,ja6b08724_si_014_ASR_pacman,-,unknown,[C6Mg3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch2][=Branch1][=Branch1][=C][C][=C][C][=Branch2][Branch1][O][=C][Branch2][Ring2][Branch2][C][=N][C][=Branch2][Ring1][=N][=C][Branch1][O][C][NH1][C][Ring2][Ring1][Ring1][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][NH1][Ring2][Ring2][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.stp.cat0;ja6b08724_si_014_ASR_pacman,28.05599,26.5894,28.05599,0.284192,2094.83,1412.55,4970.41,0,0,0,13047.5,0.8798,3.09579,0,0,0,3,stp,unnamed,unnamed,unnamed,1,2,-P 6 2,191,Mg,Yes,Mg,PACMAN-DDEC6,9.54155985,0.907916943,0.045921285,1.02180201,0.067486139,1.106473253,0.08711382,0.001985563,0.317116987,266,SI,10.1021/jacs.6b08724,2016,2016/10/13,ACS,All Solvent Removed,FALSE,401.2,0.9478165,0.38,weak,
1214,2016[Co][pts]3[ASR]3,ja6b09155_si_001_ASR_pacman,-,Fc1cc([C]2C=NN=C2)c(cc1[C]1C=NN=C1)F.[Co] MOFid-v1.dmd.cat0;ja6b09155_si_001_ASR_pacman,[Co1_Type-1].[F][C][=C][C][Branch1][Branch2][CH0][C][=N][N][=C][Ring1][Branch1][=C][Branch1][N][C][=C][Ring1][O][CH0][C][=N][N][=C][Ring1][Branch1][F] MOFid-v2.dmd.cat0;ja6b09155_si_001_ASR_pacman,9.91946,9.58016,9.91946,0.781607,456.771,1773.12,2268.56,0,0,0,1825.41,0.7086,0.906594,0,0,0,3,pts,unnamed,dmd,unnamed,1,3,P 4cw,78,Co,No,N/A,PACMAN-DDEC6,12.12531366,0.807015037,0.020636257,0.908150704,0.042340091,0.973025597,0.057300059,0.001660106,0.315026816,100,SI,10.1021/jacs.6b09155,2016,2016/11/2,ACS,All Solvent Removed,TRUE,246.9,0.5948701,0.728116711,weak,
1215,2016[Co][pts]3[ASR]4,ja6b09155_si_005_ASR_pacman,-,unknown,[Co1_Type-1].[NH0][N][=C][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=N][CH1][Ring1][Branch1] MOFid-v2.dmd.cat0;ja6b09155_si_005_ASR_pacman,10.01279,9.5867,10.01279,0.70214,454.943,1800.13,2563.78,0,0,0,1792.85,0.7094,1.01034,0,0,0,3,pts,unnamed,dmd,unnamed,1,3,P 4w 2c,91,Co,No,N/A,PACMAN-DDEC6,10.6860766,0.821514974,0.041257398,0.935126349,0.061606019,1.001524112,0.074612309,0.001800091,0.289356498,100,SI,10.1021/jacs.6b09155,2016,2016/11/2,ACS,All Solvent Removed,TRUE,336.2,0.08789238,0.738461538,weak,
1216,2016[Co][pts]3[ASR]5,ja6b09155_si_006_ASR_pacman,-,Cc1cc(C2=C[N]N=C2)c(cc1[C]1C=NN=C1)C.[Co] MOFid-v1.dmd.cat0;ja6b09155_si_006_ASR_pacman,[Co1_Type-1].[C][C][=C][C][Branch1][Branch2][C][=C][NH0][N][=C][Ring1][Branch1][=C][Branch1][N][C][=C][Ring1][O][CH0][C][=N][N][=C][Ring1][Branch1][C] MOFid-v2.dmd.cat0;ja6b09155_si_006_ASR_pacman,4.23296,3.57101,4.23296,1.28355,42.2244,552.797,430.677,0,0,0,331.503,0.434,0.338124,0,0,0,3,pts,unnamed,dmd,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,9.522744355,0.935623887,0.00707915,1.057836868,0.006376199,1.177027213,0.009117749,0.002414033,0.211917682,62,SI,10.1021/jacs.6b09155,2016,2016/11/2,ACS,All Solvent Removed,TRUE,373.4,0.2618091,0.795333333,weak,
1217,2016[Co][pts]3[ASR]6,ja6b09155_si_009_ASR_pacman,-,unknown,[Co1_Type-1].[F][C][=C][C][Branch1][Branch2][C][=C][N][=N][CH1][Ring1][Branch1][=C][Branch1][N][C][=C][Ring1][O][C][=C][N][=N][CH1][Ring1][Branch1][F].[F][C][=C][C][Branch1][Branch2][CH0][C][=N][N][=C][Ring1][Branch1][=C][Branch1][N][C][=C][Ring1][O][C][=C][N][=N][CH1][Ring1][Branch1][F] MOFid-v2.dmd.cat0;ja6b09155_si_009_ASR_pacman,8.84064,8.69368,8.84064,0.846693,198.387,1668.48,1970.59,0,0,0,801.404,0.674,0.796038,0,0,0,3,pts,unnamed,dmd,unnamed,1,3,-C 2yc,15,Co,No,N/A,PACMAN-DDEC6,12.12531366,0.82091799,0.009178454,0.925021255,0.012092323,1.040165335,0.015112515,0.002192473,0.161335815,50,SI,10.1021/jacs.6b09155,2016,2016/11/2,ACS,All Solvent Removed,TRUE,254.8,0.45027828,0.773794872,weak,
1218,2017[Ni][dia]3[ASR]3,ja6b10455_si_002_ASR_pacman,-,[Ni].[O-]C(=O)c1ccncc1 MOFid-v1.dia.cat0;ja6b10455_si_002_ASR_pacman,[C2Ni1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.dia.cat0;ja6b10455_si_002_ASR_pacman,5.21863,3.66829,5.17605,1.25034,78.1105,970.869,776.484,0,0,0,405.007,0.5034,0.402611,0,0,0,3,dia,unnamed,dia,unnamed,2,3,P -2yc,7,Ni,No,N/A,PACMAN-DDEC6,11.21838222,0.878100484,0.032464786,1.005076366,0.048294331,1.03959244,0.064548424,0.00161492,0.409034586,54,SI,10.1021/jacs.6b10455,2017,2017/1/27,ACS,All Solvent Removed,FALSE,288,0.93900895,0.575,weak,
1219,2017[Co][nan]3[ASR]13,ja6b12353_si_002_3_ASR_pacman,-,[Co][Co].[Co][OH]([Co])[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1cccnc1 MOFid-v1.unknown.cat0;ja6b12353_si_002_3_ASR_pacman,[C4Co2O8_Type-1].[C6Co3H1O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;ja6b12353_si_002_3_ASR_pacman,13.94738,6.83886,13.62263,0.846295,2826.54,1578.36,1865.02,559.997,312.705,369.499,12127.4,0.6772,0.800194,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-F 4 2 3,225,Co,Yes,Co,PACMAN-DDEC6,12.20166821,0.847518931,0.026192525,0.937691129,0.038112221,1.010098162,0.049125753,0.001625792,0.362742097,748,SI,10.1021/jacs.6b12353,2017,2017/1/26,ACS,All Solvent Removed,FALSE,318.6,0.8424951,0.341,strong,
1220,2017[PdFe][sql]2[ASR]1,ja6b12465_si_004_ASR_pacman,-,[C]#N.[Fe].[Pd] MOFid-v1.sql.cat1;ja6b12465_si_004_ASR_pacman,unknown,4.29368,3.13998,4.26677,1.49245,0,0,0,145.276,267.247,179.066,2223.33,0.409,0.274046,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,"Pd,Fe",Yes,Pd,PACMAN-DDEC6,11.74438154,0.851326159,0.024559589,0.945550554,0.05503654,0.934063249,0.065223665,0.000827371,0.620733507,416,SI,10.1021/jacs.6b12465,2017,2017/1/13,ACS,All Solvent Removed,FALSE,265.9,0.9440687,0.3205,unknown,
1221,2017[PdFe][sql]2[ASR]2,ja6b12465_si_006_ASR_pacman,-,[C]#N.[Fe].[Pd] MOFid-v1.sql.cat1;ja6b12465_si_006_ASR_pacman,unknown,4.28564,3.14394,4.26601,1.48934,0,0,0,153.425,281.649,189.11,2218.17,0.4072,0.27341,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-C 2yc,15,"Pd,Fe",Yes,Pd,PACMAN-DDEC6,11.74438154,0.852619071,0.024740066,0.958891499,0.045097253,0.957672487,0.058640143,0.001050534,0.555374066,416,SI,10.1021/jacs.6b12465,2017,2017/1/13,ACS,All Solvent Removed,FALSE,265.9,0.94396716,0.3205,unknown,
1222,2017[Fe][fmz]3[ASR]1,ja7b01559_si_002_ASR_pacman,-,unknown,[C6Fe3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fmz.cat0;ja7b01559_si_002_ASR_pacman,14.51268,5.80884,14.50613,0.561601,3642.35,2275.76,4052.26,0,0,0,12330.3,0.7704,1.37179,0,0,0,3,fmz,unnamed,fmz,unnamed,1,2,"-R 3 2""c",167,Fe,Yes,Fe,PACMAN-DDEC6,11.276891,0.853093731,0.033823446,0.953024378,0.045253842,1.022411407,0.061757091,0.001693177,0.350231308,480,SI,10.1021/jacs.7b01559,2017,2017/4/19,ACS,All Solvent Removed,FALSE,363.8,0.6371081,0.44,weak,
1223,2017[Cu][rob]3[ASR]1,ja7b01764_si_003_ASR_pacman,-,[Cu][Cu].[O-]C(=O)CCCC(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.rob.cat0;ja7b01764_si_003_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;ja7b01764_si_003_ASR_pacman,4.79113,4.11066,4.79113,1.46806,70.6576,546.49,372.254,0,0,0,532.173,0.4116,0.280371,0,0,0,3,rob,unnamed,rob,unnamed,1,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,9.853906207,0.944441806,0.041538622,1.063929213,0.045321868,1.127865724,0.038120994,0.001834239,0.403428536,116,SI,10.1021/jacs.7b01764,2017,2017/4/14,ACS,All Solvent Removed,TRUE,251.4,0.5512677,0.59022964,weak,
1224,2017[Cu][rob]3[ASR]2,ja7b01764_si_004_ASR_pacman,-,[Cu][Cu].[O-]C(=O)CCCC(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.rob.cat0;ja7b01764_si_004_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;ja7b01764_si_004_ASR_pacman,5.60617,5.31106,5.60617,1.3759,237.757,861.73,626.301,0,0,0,1250.41,0.4532,0.329384,0,0,0,3,rob,unnamed,rob,unnamed,1,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,9.853906207,0.947162887,0.038991327,1.064543131,0.046948713,1.129626037,0.037519465,0.001824632,0.408489653,232,SI,10.1021/jacs.7b01764,2017,2017/4/14,ACS,All Solvent Removed,FALSE,244.5,0.31419253,0.61022964,weak,
1225,2017[Cu][rob]3[ASR]3,ja7b01764_si_007_ASR_pacman,-,[Cu][Cu].[O-]C(=O)CCCC(=O)[O-].n1ccc(cc1)CCc1ccncc1 MOFid-v1.rob.cat0;ja7b01764_si_007_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.rob.cat0;ja7b01764_si_007_ASR_pacman,5.45221,5.20273,5.45221,1.37519,108.945,789.314,573.965,0,0,0,619.729,0.449,0.326499,0,0,0,3,rob,unnamed,rob,unnamed,1,3,-C 2yc,15,Cu,No,N/A,PACMAN-DDEC6,9.853906207,0.921853077,0.007489469,1.046342405,0.006065267,1.168750469,0.004767339,0.002468974,0.181507781,116,SI,10.1021/jacs.7b01764,2017,2017/4/14,ACS,All Solvent Removed,TRUE,254.8,0.39541268,0.61022964,weak,
1226,2017[Cu][rob]3[ASR]4,ja7b01764_si_008_ASR_pacman,-,C(Cc1ccncc1)Cc1ccncc1.[Cu][Cu].[O-]C(=O)CCCC(=O)[O-] MOFid-v1.rob.cat0;ja7b01764_si_008_ASR_pacman,[C4Cu2O8_Type-1].[C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O-1] MOFid-v2.rob.cat0;ja7b01764_si_008_ASR_pacman,6.2648,5.55557,6.2648,1.2733,311.215,1018.85,800.166,0,0,0,1417.92,0.4642,0.364564,0,0,0,3,rob,unnamed,rob,unnamed,1,3,-P 2ab 2ac,56,Cu,No,N/A,PACMAN-DDEC6,9.599231803,0.935651458,0.007227943,1.062312608,0.005165329,1.186179188,0.004187468,0.002505277,0.184534032,244,SI,10.1021/jacs.7b01764,2017,2017/4/14,ACS,All Solvent Removed,TRUE,253.5,0.20967045,0.60022964,weak,
1227,2017[Zr][fcu]3[ASR]1,ja7b02184_si_015_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1c(F)c(F)c(c(c1F)F)C#Cc1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.fcu.cat1;ja7b02184_si_015_ASR_pacman,[C12O32Zr6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fcu.cat1;ja7b02184_si_015_ASR_pacman,19.18618,13.02178,19.18618,0.692178,1922.28,1216.56,1757.58,136.214,86.206,124.543,11869.7,0.7512,1.08527,6.32039,0.0004,0.000577886,3,fcu,unnamed,fcu,unnamed,2,3,F 4d 2 3 -1d,227,Zr,No,N/A,PACMAN-DDEC6,12.96538739,0.843934782,0.017456119,0.943505952,0.034465088,1.00033869,0.036799865,0.001564039,0.381846127,508,SI,10.1021/jacs.7b02184,2017,2017/5/9,ACS,All Solvent Removed,TRUE,360.6,0.9515672,0.3,weak,
1228,2017[ZnSi][sql]2[ASR]1,ja7b03850_si_003_ASR_pacman,-,[Zn].n1ccc(cc1)Sc1ccncc1 MOFid-v1.unknown.cat3;ja7b03850_si_003_ASR_pacman,unknown,4.15296,3.04527,4.12346,1.31423,0,0,0,80.2733,271.982,206.952,1410.19,0.4778,0.36356,0,0,0,2,sql,unnamed,sql,unnamed,2,2,-I 2 2c,72,"Zn,Si",No,N/A,PACMAN-DDEC6,11.67907518,0.858608675,0.030329264,0.97181587,0.042991573,1.030183384,0.062432605,0.001715747,0.353024494,200,SI,10.1021/jacs.7b03850,2017,2017/6/2,ACS,All Solvent Removed,FALSE,356.9,0.7549,0.63,none,
1229,2017[ZnSi][sql]2[ASR]2,ja7b03850_si_005_ASR_pacman,-,[Zn].n1ccc(cc1)Sc1ccncc1 MOFid-v1.unknown.cat3;ja7b03850_si_005_ASR_pacman,unknown,4.19171,2.90297,4.19135,1.29001,0,0,0,73.151,243.284,188.59,1441.47,0.4794,0.371624,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-I 2 2c,72,"Zn,Si",No,N/A,PACMAN-DDEC6,11.67907518,0.871962067,0.005223824,0.990993415,0.005495754,1.093551869,0.006350058,0.002215898,0.209938141,200,SI,10.1021/jacs.7b03850,2017,2017/6/2,ACS,All Solvent Removed,FALSE,358.2,0.7469728,0.63,none,
1230,2017[Cu][sql]2[ASR]6,ja7b04268_si_002_ASR_pacman,-,[Cu].n1ccc(cc1)c1ccncc1 MOFid-v1.sql.cat3;ja7b04268_si_002_ASR_pacman,[Cu1_Type-1].[N][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.sql.cat3;ja7b04268_si_002_ASR_pacman,6.19896,3.56501,6.19896,0.784156,1185.49,1861.51,2373.9,0,0,0,4103.83,0.6444,0.821775,0,0,0,2,sql,unnamed,sql,unnamed,4,3,-C 2yc,15,Cu,Yes,Cu,PACMAN-DDEC6,9.168630244,0.949523011,0.003632501,1.091580911,0.004453424,1.230760314,0.003216807,0.002812373,0.10629085,328,SI,10.1021/jacs.7b04268,2017,2017/6/5,ACS,All Solvent Removed,FALSE,364.2,0.9083607,0.576666667,weak,
1231,2017[Cu][fog]3[ASR]1,ja7b05702_si_002_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.fog.cat1;ja7b05702_si_002_ASR_pacman,unknown,15.78565,8.73155,15.78565,0.663423,2547.97,1596.3,2406.16,0,0,0,12182,0.7632,1.1504,0,0,0,3,fog,unnamed,fog,unnamed,2,3,"-R 3 2""",166,Cu,Yes,Cu,PACMAN-DDEC6,12.07767909,0.831248903,0.022255242,0.92291618,0.039924242,0.976396736,0.050826803,0.001451478,0.402169858,528,SI,10.1021/jacs.7b05702,2017,2017/8/11,ACS,All Solvent Removed,FALSE,245.1,0.8632711,0.619642857,weak,
1232,2017[Zn][nan]3[ASR]12,ja7b05858_si_010_ASR_pacman,-,unknown,unknown,15.65792,15.56978,15.65792,0.743423,377.726,1405.8,1890.99,0,0,0,2044.2,0.7608,1.02337,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 32 2""",154,Zn,Yes,Zn,PACMAN-DDEC6,14.31978,0.739639775,0.018019949,0.828237692,0.029412876,0.878799419,0.033921399,0.001391596,0.328500209,84,SI,10.1021/jacs.7b05858,2017,2017/7/19,ACS,All Solvent Removed,FALSE,376.3,0.94373935,0.640247253,weak,
1233,2017[Zn][nan]3[ASR]13,ja7b05858_si_013_ASR_pacman,-,unknown,unknown,16.23871,16.17292,16.23871,0.717192,392.398,1408.88,1964.43,0,0,0,2147.37,0.771,1.07503,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 31 2""",152,Zn,Yes,Zn,PACMAN-DDEC6,14.31978,0.741577008,0.016115444,0.826507005,0.02700444,0.885301089,0.032634726,0.001437241,0.314760752,84,SI,10.1021/jacs.7b05858,2017,2017/7/19,ACS,All Solvent Removed,FALSE,368.6,0.94286263,0.670247253,weak,
1234,2017[Co][nan]3[ASR]14,ja7b06397_si_002_ASR_pacman,-,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1[O])[O] MOFid-v1.unknown.cat0;ja7b06397_si_002_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][=Branch1][C][=C][Ring1][=Branch2][OH0][OH0] MOFid-v2.UNKNOWN.cat0;ja7b06397_si_002_ASR_pacman,11.02444,9.92155,11.02444,1.19054,203.805,1561.3,1311.42,0,0,0,836.995,0.6412,0.538577,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.704730102,0.010472406,0.779528487,0.014324141,0.833543691,0.016686309,0.001288136,0.321753197,54,SI,10.1021/jacs.7b06397,2017,2017/10/19,ACS,All Solvent Removed,FALSE,230.9,0.92876613,0.180285714,weak,
1235,2017[Co][nan]3[ASR]15,ja7b06397_si_003_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;ja7b06397_si_003_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja7b06397_si_003_ASR_pacman,11.27084,10.75758,11.27084,1.18753,205.288,1568.67,1320.96,0,0,0,837.29,0.6398,0.538767,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.709814547,0.008178973,0.779838035,0.014107619,0.831329221,0.016831315,0.001215147,0.348359244,54,SI,10.1021/jacs.7b06397,2017,2017/10/19,ACS,All Solvent Removed,FALSE,229.5,0.9356077,0.180285714,weak,
1236,2017[Zn][muo]3[ASR]1,ja7b08347_si_002_ASR_pacman,-,unknown,unknown,26.10837,25.14725,26.10837,0.343786,5212.81,1655.91,4816.68,0,0,0,27444.3,0.8718,2.53588,0,0,0,3,muo,unnamed,muo,unnamed,1,3,P 6c,173,Zn,No,N/A,PACMAN-DDEC6,12.20431865,0.817274653,0.027899029,0.89858213,0.046408356,0.971398671,0.060589417,0.00154124,0.356317757,534,SI,10.1021/jacs.7b08347,2017,2017/9/13,ACS,All Solvent Removed,TRUE,386.3,0.7767724,0.15,weak,
1237,2017[Ni][nan]3[ASR]3,ja7b08632_si_002_ASR_pacman,-,[Ni].[O-]C(=O)C(=O)[O-].c1ncn(c1)c1ccc(cc1)C(c1ccc(cc1)n1cncc1)(c1ccc(cc1)n1cncc1)c1ccc(cc1)n1cncc1 MOFid-v1.ERROR.cat0;ja7b08632_si_002_ASR_pacman,[C2Ni2O4_Type-1].[O-1][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1].[C][N][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1] MOFid-v2.ERROR.cat0;ja7b08632_si_002_ASR_pacman,8.68471,5.22052,8.68471,0.754862,634.714,2098.77,2780.33,0,0,0,1963.33,0.6492,0.860025,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Ni,No,N/A,PACMAN-DDEC6,8.926944416,0.932483987,0.049250037,1.027366241,0.086560759,1.103620844,0.097649432,0.001711369,0.422178026,154,SI,10.1021/jacs.7b08632,2017,2017/10/11,ACS,All Solvent Removed,TRUE,318.8,0.16573131,0.9,weak,
1238,2018[Zn][nan]3[ASR]4,ja7b09453_si_002_ASR_pacman,-,unknown,unknown,16.33465,16.24964,16.33465,0.72676,384.824,1400.12,1926.52,0,0,0,2136.14,0.7772,1.0694,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 31 2""",152,Zn,Yes,Zn,PACMAN-DDEC6,14.31978,0.731227419,0.019367242,0.807646728,0.034791961,0.857576153,0.03760186,0.001263487,0.356596196,84,SI,10.1021/jacs.7b09453,2018,2018/1/23,ACS,All Solvent Removed,TRUE,367.6,0.95429146,0.510643223,weak,
1239,2018[Zn][nan]3[ASR]5,ja7b09453_si_003_ASR_pacman,-,unknown,unknown,16.26686,16.18115,16.26686,0.725095,390.23,1416.53,1953.58,0,0,0,2142.7,0.7778,1.07269,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"P 31 2""",152,Zn,Yes,Zn,PACMAN-DDEC6,14.31978,0.729487369,0.018058133,0.80936711,0.034421325,0.859969171,0.037721363,0.001304818,0.342921578,84,SI,10.1021/jacs.7b09453,2018,2018/1/23,ACS,All Solvent Removed,FALSE,367.8,0.9545248,0.510643223,weak,
1240,2017[Zr][bcu]3[ASR]2,ja7b09496_si_003_ASR_pacman,-,Cc1cc(ccc1c1ccc(cc1C)C(=O)[O-])C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.bcu.cat0;ja7b09496_si_003_ASR_pacman,[C8O24Zr6_Type-1].[C][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;ja7b09496_si_003_ASR_pacman,14.79057,13.9519,14.79057,0.674915,1835.31,2133.23,3160.74,0,0,0,6517.97,0.7576,1.12251,5.16207,0.0006,0.000889,3,bcu,unnamed,bcu,unnamed,1,3,-P 4c 2,131,Zr,Yes,Zr,PACMAN-DDEC6,12.31264451,0.791792297,0.035375213,0.865686613,0.054746621,0.949079758,0.055227143,0.001572875,0.318346776,284,SI,10.1021/jacs.7b09496,2017,2017/11/8,ACS,All Solvent Removed,FALSE,391.3,0.83999145,0.85,none,
1241,2017[Th][bcu]3[ASR]1,ja7b09496_si_005_ASR_pacman,-,Cc1cc(ccc1c1ccc(cc1C)C(=O)[O-])C(=O)[O-].[O]12[Th]34[O]5[Th]62[O]2[Th]71[O]4[Th]14[O]3[Th]35[O]6[Th]2([O]71)[O]43 MOFid-v1.bcu.cat0;ja7b09496_si_005_ASR_pacman,[C8O24Th6_Type-2].[C][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;ja7b09496_si_005_ASR_pacman,15.55311,14.01621,15.55311,0.794986,2270.97,2096.24,2636.82,0,0,0,8636.51,0.7972,1.00278,10.8336,0.001,0.00125788,3,bcu,unnamed,bcu,unnamed,1,3,-P 4c 2,131,Th,Yes,Th,PACMAN-DDEC6,18.26253437,0.527668409,0.024826385,0.571789179,0.040511922,0.596817276,0.045824822,0.000691489,0.323403922,284,SI,10.1021/jacs.7b09496,2017,2017/11/8,ACS,All Solvent Removed,FALSE,360.2,0.4324364,0.55,none,
1242,2017[U][bcu]3[ASR]1,ja7b09496_si_007_ASR_pacman,-,Cc1cc(ccc1c1ccc(cc1C)C(=O)[O-])C(=O)[O-].[O]12[U]34[O]5[U]62[O]2[U]71[O]4[U]14[O]3[U]35[O]6[U]2([O]71)[O]43 MOFid-v1.bcu.cat0;ja7b09496_si_007_ASR_pacman,[C8O24U6_Type-1].[C][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;ja7b09496_si_007_ASR_pacman,15.13285,14.00013,15.13285,0.875557,2128.64,2134.41,2437.77,0,0,0,7836.76,0.7858,0.897485,9.97296,0.001,0.00114213,3,bcu,unnamed,bcu,unnamed,1,3,-P 4c 2,131,U,Yes,U,PACMAN-DDEC6,18.51566887,0.518211542,0.023804642,0.554056046,0.038785814,0.586424066,0.044648869,0.000682125,0.314153385,284,SI,10.1021/jacs.7b09496,2017,2017/11/8,ACS,All Solvent Removed,FALSE,364.5,0.43707952,0.55,none,
1243,2017[Zr][csq]3[ASR]1,ja7b09973_si_002_11_ASR_pacman,-,[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43.[O]c1c(c2ccc(cc2)C(=O)[O-])c2ccc3c4c2c(c1c1ccc(cc1)C(=O)[O-])ccc4c(c(c3c1ccc(cc1)C(=O)[O-])[O])c1ccc(cc1)C(=O)[O-] MOFid-v1.csq.cat0;ja7b09973_si_002_11_ASR_pacman,[C8O24Zr6_Type-1].[OH0][C][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][Ring2][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Ring1][S][=C][Branch2][Ring1][=Branch2][C][=Branch2][Ring1][Ring2][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][OH0][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq.cat0;ja7b09973_si_002_11_ASR_pacman,30.57858,29.28279,30.5765,0.46979,3415.74,1539.33,3276.63,0,0,0,18479.7,0.8328,1.77271,4.43796,0.0002,0.000425722,3,csq,unnamed,csq,unnamed,1,3,-F 2 2,69,Zr,Yes,Zr,PACMAN-DDEC6,12.09997639,0.790095932,0.037348681,0.884111458,0.053379867,0.939377647,0.063710172,0.001492817,0.34870901,486,SI,10.1021/jacs.7b09973,2017,2017/11/9,ACS,All Solvent Removed,FALSE,430.9,0.94917315,0.95,none,
1244,2017[Zr][csq]3[ASR]2,ja7b09973_si_002_6_ASR_pacman,-,"Oc1c(cc(cc1c1ccc(cc1)C(=O)[O-])c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1)c1ccc(cc1)C(=O)[O-])O)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.csq,xly.cat0;ja7b09973_si_002_6_ASR_pacman","[C8O24Zr6_Type-1].[O][C][=C][Branch2][=Branch1][#Branch1][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq,xly.cat0;ja7b09973_si_002_6_ASR_pacman",30.78,29.4358,30.77189,0.444258,3501.82,1561.03,3513.78,0,0,0,19027.5,0.8482,1.90925,0,0,0,3,csq,unnamed,xly,unnamed,1,3,-P 6 2,191,Zr,Yes,Zr,PACMAN-DDEC6,12.66159848,0.767812403,0.03292959,0.846512962,0.053052844,0.910029159,0.058679061,0.001422168,0.343692865,474,SI,10.1021/jacs.7b09973,2017,2017/11/9,ACS,All Solvent Removed,FALSE,433.8,0.9524394,0.92,none,
1245,2017[Zr][csq]3[ASR]3,ja7b09973_si_002_7_ASR_pacman,-,"Nc1c(cc(cc1c1ccc(cc1)C(=O)[O-])c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1)c1ccc(cc1)C(=O)[O-])N)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.csq,xly.cat0;ja7b09973_si_002_7_ASR_pacman","[C8O24Zr6_Type-1].[N][C][=C][Branch2][=Branch1][#Branch1][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq,xly.cat0;ja7b09973_si_002_7_ASR_pacman",30.4164,29.15594,30.4164,0.463974,3289.28,1534.37,3307.02,0,0,0,18028.8,0.841,1.8126,0,0,0,3,csq,unnamed,xly,unnamed,1,3,-P 6 2,191,Zr,Yes,Zr,PACMAN-DDEC6,12.32465136,0.773032999,0.035562454,0.864867532,0.053161467,0.926014751,0.059682035,0.001529818,0.319202296,486,SI,10.1021/jacs.7b09973,2017,2017/11/9,ACS,All Solvent Removed,FALSE,429,0.9392136,0.95,none,
1246,2017[Zr][csq]3[ASR]4,ja7b09973_si_002_8_ASR_pacman,-,"[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43.[O]c1c(cc(cc1c1ccc(cc1)C(=O)[O-])c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1)c1ccc(cc1)C(=O)[O-])[O])c1ccc(cc1)C(=O)[O-] MOFid-v1.csq,xly.cat0;ja7b09973_si_002_8_ASR_pacman","[C8O24Zr6_Type-1].[OH0][C][=C][Branch2][=Branch1][#Branch1][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][OH0][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq,xly.cat0;ja7b09973_si_002_8_ASR_pacman",30.8785,29.56547,30.87792,0.458643,3350.07,1544.85,3368.3,0,0,0,18341.6,0.8458,1.84414,0,0,0,3,csq,unnamed,xly,unnamed,1,3,-P 6 2,191,Zr,Yes,Zr,PACMAN-DDEC6,12.96429091,0.769378606,0.028703324,0.858738169,0.04289314,0.933815905,0.052580853,0.001644373,0.278447013,462,SI,10.1021/jacs.7b09973,2017,2017/11/9,ACS,All Solvent Removed,FALSE,421.1,0.9522549,0.94,none,
1247,2018[Co][nan]3[ASR]8,ja7b13825_si_002_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;ja7b13825_si_002_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja7b13825_si_002_ASR_pacman,11.44135,10.88879,11.44056,1.18297,825.289,1570.52,1327.61,0,0,0,3411.46,0.6492,0.548789,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,2,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.703671827,0.007701074,0.776239902,0.013126011,0.829271263,0.015743781,0.001255994,0.33012964,216,SI,10.1021/jacs.7b13825,2018,2018/2/15,ACS,All Solvent Removed,FALSE,263.1,0.92785114,0.180285714,weak,
1248,2018[Co][nan]3[ASR]9,ja7b13825_si_006_ASR_pacman,-,[Co].[O-]C(=O)c1cc(C(=O)[O-])c(cc1[O])[O] MOFid-v1.unknown.cat0;ja7b13825_si_006_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][=Branch1][C][=C][Ring1][=Branch2][OH0][OH0] MOFid-v2.UNKNOWN.cat0;ja7b13825_si_006_ASR_pacman,11.11018,9.884,11.10863,1.18539,627.821,1596.25,1346.6,0,0,0,2481,0.6308,0.532146,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,"R 3 -2""",160,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.700135751,0.009158263,0.776446225,0.012890723,0.827624306,0.017564477,0.001274886,0.321858818,162,SI,10.1021/jacs.7b13825,2018,2018/2/15,ACS,All Solvent Removed,FALSE,245.3,0.9228232,0.180285714,weak,
1249,2018[Zn][pcu]3[ASR]15,ja8b02638_si_004_ASR_pacman,-,Cc1cc(cc(c1c1ccncc1)C)c1nc2c(s1)nc(s2)c1cc(C)c(c(c1)C)c1ccncc1.[O-]C(=O)c1ccc(s1)C(=O)[O-].[Zn][Zn] MOFid-v1.pcu.cat1;ja8b02638_si_004_ASR_pacman,[C4O8Zn2_Type-1].[C][C][=C][C][=Branch1][P][=C][C][=Branch1][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][=C][Branch1][Ring2][S][Ring1][=Branch1][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat1;ja8b02638_si_004_ASR_pacman,6.0961,4.34676,6.0895,1.07991,886.168,1476.57,1367.31,0,0,0,3423.27,0.5704,0.528194,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,11.08765591,0.877949546,0.02845643,0.979799636,0.045456023,1.062215212,0.043425443,0.001842657,0.328391637,352,SI,10.1021/jacs.8b02638,2018,2018/5/4,ACS,All Solvent Removed,TRUE,305.8,0.5748299,0.525211538,weak,
1250,2018[Zr][scu]3[ASR]1,ja8b04277_si_002_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1cc(C#CC#Cc2cc(cc(c2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])cc(c1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.scu,tty.cat0;ja8b04277_si_002_ASR_pacman","[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring2][S][C][#C][C][#C][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu,tty.cat0;ja8b04277_si_002_ASR_pacman",16.55771,13.56943,16.55771,0.429176,1406.3,1788.15,4166.47,0,0,0,6623.53,0.8422,1.96237,0,0,0,3,scu,unnamed,tty,unnamed,1,2,-C 2 2,65,Zr,Yes,Zr,PACMAN-DDEC6,12.54704049,0.780354752,0.03125147,0.857756598,0.049917957,0.915735533,0.060291028,0.001353808,0.377449563,162,SI,10.1021/jacs.8b04277,2018,2018/5/28,ACS,All Solvent Removed,FALSE,339.1,0.7609767,0.94,unknown,
1251,2018[Zr][scu]3[ASR]2,ja8b04277_si_003_ASR_pacman,-,unknown,"[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring2][S][C][#C][C][#C][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu,tty.cat0;ja8b04277_si_003_ASR_pacman",15.5599,12.08216,15.5599,0.459317,1373.63,1869.27,4069.68,0,0,0,6155.08,0.8376,1.82358,4.40909,0.0006,0.00130629,3,scu,unnamed,tty,unnamed,1,2,-C 2 2,65,Zr,Yes,Zr,PACMAN-DDEC6,12.54704049,0.782109521,0.030639341,0.860532828,0.051512915,0.915747494,0.059552889,0.00133638,0.38506371,162,SI,10.1021/jacs.8b04277,2018,2018/5/28,ACS,All Solvent Removed,FALSE,340.5,0.69373024,0.94,unknown,
1252,2018[Hf][scu]3[ASR]1,ja8b04277_si_004_ASR_pacman,-,"[O-]C(=O)c1ccc(cc1)c1cc(C#CC#Cc2cc(cc(c2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])cc(c1)c1ccc(cc1)C(=O)[O-].[O]12[Hf]34[O]5[Hf]62[O]2[Hf]71[O]4[Hf]14[O]3[Hf]35[O]6[Hf]2([O]71)[O]43 MOFid-v1.scu,tty.cat0;ja8b04277_si_004_ASR_pacman","[C8Hf6O24_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring2][S][C][#C][C][#C][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu,tty.cat0;ja8b04277_si_004_ASR_pacman",15.77552,12.2299,15.77552,0.571209,1375.93,1851.58,3241.51,0,0,0,6200.54,0.8344,1.46076,0,0,0,3,scu,unnamed,tty,unnamed,1,3,-C 2 2,65,Hf,Yes,Hf,PACMAN-DDEC6,15.77911457,0.606563457,0.025712436,0.675331203,0.036920112,0.719363763,0.044369401,0.001128003,0.272285068,162,SI,10.1021/jacs.8b04277,2018,2018/5/28,ACS,All Solvent Removed,FALSE,419.5,0.8840103,0.81,unknown,
1253,2018[Zr][nan]3[ASR]3,ja8b04277_si_009_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1cc(C#CC#Cc2cc(cc(c2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])cc(c1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;ja8b04277_si_009_ASR_pacman,[C12O32Zr6_Type-2].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring2][S][C][#C][C][#C][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Branch1][=C][Ring2][Ring2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja8b04277_si_009_ASR_pacman,15.52353,8.15201,15.52353,0.565002,1609.91,2138.82,3785.5,0,0,0,5863.61,0.779,1.37876,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2 2,65,Zr,No,N/A,PACMAN-DDEC6,11.74809725,0.814400559,0.033153218,0.901459367,0.057962321,0.955356474,0.065793801,0.001409559,0.397059763,218,SI,10.1021/jacs.8b04277,2018,2018/5/28,ACS,All Solvent Removed,TRUE,381.1,0.34529307,0.887692308,weak,
1254,2018[Zr][bcu]3[ASR]1,ja8b07050_si_002_ASR_pacman,-,[O-]C(=O)C=CC=CC(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.bcu.cat0;ja8b07050_si_002_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;ja8b07050_si_002_ASR_pacman,9.82414,8.45778,9.82414,0.822188,568.127,2276.41,2768.72,0,0,0,1893.75,0.7588,0.922904,0.998287,0.0004,0.000486507,3,bcu,unnamed,bcu,unnamed,1,3,-I 4 2,139,Zr,Yes,Zr,PACMAN-DDEC6,17.65304914,0.666943262,0.019675667,0.727137915,0.030418354,0.78400855,0.039473681,0.001170653,0.316301399,70,SI,10.1021/jacs.8b07050,2018,2018/7/31,ACS,All Solvent Removed,FALSE,333.9,0.7138439,0.81,none,
1255,2018[Zr][scu]3[ASR]3,ja8b07411_si_003_1_ASR_pacman,-,unknown,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.scu.cat0;ja8b07411_si_003_1_ASR_pacman,13.01952,10.30206,13.01952,0.6302,2192.04,2119.47,3363.17,0,0,0,8031.91,0.7766,1.23231,2.06848,0.0002,0.000317359,3,scu,unnamed,scu,unnamed,1,3,-I 2 2,71,Zr,No,N/A,PACMAN-DDEC6,12.7437174,0.760250767,0.032121505,0.850223003,0.045939034,0.912515353,0.055581895,0.001522646,0.308070324,308,SI,10.1021/jacs.8b07411,2018,2018/9/19,ACS,All Solvent Removed,FALSE,365.1,0.9185146,0.96,none,
1256,2018[Zr][nan]3[ASR]4,ja8b07411_si_003_10_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c(c1)c1cc(cc(c1[nH]2)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;ja8b07411_si_003_10_ASR_pacman,[C12O32Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja8b07411_si_003_10_ASR_pacman,13.74408,7.17576,13.74408,0.70707,2418.43,2119.81,2998.03,0,0,0,8202.84,0.719,1.01687,2.28174,0.0002,0.000282857,3,unnamed,unnamed,unnamed,unnamed,1,3,-I 2 2,71,Zr,Yes,Zr,PACMAN-DDEC6,11.96516128,0.8013847,0.034597113,0.896640709,0.049270627,0.968619593,0.060847289,0.001672349,0.30355954,406,SI,10.1021/jacs.8b07411,2018,2018/9/19,ACS,All Solvent Removed,TRUE,344.8,0.8298907,0.66,weak,
1257,2018[Zr][nan]3[ASR]5,ja8b07411_si_003_2_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c(c1)c1cc(cc(c1[nH]2)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;ja8b07411_si_003_2_ASR_pacman,[C9O26Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja8b07411_si_003_2_ASR_pacman,12.55429,9.64029,12.55429,0.67153,2135.64,2112.05,3145.13,0,0,0,7686.91,0.7602,1.13204,2.02234,0.0002,0.000297827,3,unnamed,unnamed,unnamed,unnamed,1,3,-I 2 2,71,Zr,Yes,Zr,PACMAN-DDEC6,12.62092568,0.770476039,0.032336029,0.861780466,0.047075946,0.926748681,0.056909974,0.001562726,0.306047481,324,SI,10.1021/jacs.8b07411,2018,2018/9/19,ACS,All Solvent Removed,FALSE,348.8,0.91753966,0.89,none,
1258,2018[Zr][nan]3[ASR]6,ja8b07411_si_003_5_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c(c1)c1cc(cc(c1[nH]2)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.unknown.cat0;ja8b07411_si_003_5_ASR_pacman,[C12O32Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja8b07411_si_003_5_ASR_pacman,12.91193,7.01638,12.91193,0.753337,2278.71,2149.3,2853.04,0,0,0,7446.92,0.7024,0.932385,2.12042,0.0002,0.000265486,3,unnamed,unnamed,unnamed,unnamed,1,3,-I 2 2,71,Zr,No,N/A,PACMAN-DDEC6,11.96470816,0.799564992,0.034344222,0.8930766,0.051099016,0.96372987,0.061187699,0.001641649,0.310880084,402,SI,10.1021/jacs.8b07411,2018,2018/9/19,ACS,All Solvent Removed,TRUE,344.2,0.8637892,0.66,weak,
1259,2018[Cu][bcu]3[ASR]1,ja8b07589_si_003_ASR_pacman,-,unknown,[C4Cl2Cu4O9_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.bcu.cat0;ja8b07589_si_003_ASR_pacman,4.94642,3.87251,4.45816,1.30788,151.338,1436.97,1098.7,0,0,0,578.613,0.5494,0.420071,0,0,0,3,bcu,unnamed,bcu,unnamed,1,3,I 2 2,23,Cu,Yes,Cu,PACMAN-DDEC6,14.05924136,0.761398609,0.026781264,0.83462876,0.045857627,0.878310571,0.056287722,0.00116912,0.415587445,59,SI,10.1021/jacs.8b07589,2018,2018/9/18,ACS,All Solvent Removed,FALSE,262.4,0.9190085,0.588666667,strong,
1260,2018[Fe][hcb]2[ASR]1,ja8b08032_si_002_ASR_pacman,-,N#C[C]1C(=O)[C]([O])C(=C(C1=O)[O])Cl.[Fe] MOFid-v1.hcb.cat0;ja8b08032_si_002_ASR_pacman,[Fe1_Type-1].[N][#C][CH0][C][=Branch1][C][=O][CH0][Branch1][C][OH0][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][Ring1][Branch2][=O][OH0][Cl] MOFid-v2.hcb.cat0;ja8b08032_si_002_ASR_pacman,7.82632,5.83106,7.82632,0.772429,426.425,2816.45,3646.22,0,0,0,1090.72,0.7204,0.932642,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,P 3,143,Fe,No,N/A,PACMAN-DDEC6,17.17772195,0.795720682,0.010976147,0.843141628,0.011599384,0.909460784,0.013202909,0.001137401,0.451350674,41,SI,10.1021/jacs.8b08032,2018,2018/9/10,ACS,All Solvent Removed,FALSE,268.2,0.85905695,0.345,weak,
1261,2018[Zn][acs]3[ASR]1,ja8b08316_si_002_1_ASR_pacman,-,[O-]C(=O)C1CCC(C1(C)C)(C)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.acs.cat0;ja8b08316_si_002_1_ASR_pacman,[C6O13Zn4_Type-1].[O-1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch2][C][Ring1][Branch1][Branch1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O-1] MOFid-v2.acs.cat0;ja8b08316_si_002_1_ASR_pacman,6.42741,5.33782,6.42741,1.35647,193.647,906.818,668.513,3.70773,17.3627,12.7999,1093.35,0.512,0.37745,0,0,0,3,acs,unnamed,acs,unnamed,1,3,P 6c,173,Zn,No,N/A,PACMAN-DDEC6,9.799625618,0.917162881,0.059646391,0.969864461,0.095078471,1.033307094,0.09383229,0.001161442,0.566940068,178,SI,10.1021/jacs.8b08316,2018,2018/10/16,ACS,All Solvent Removed,TRUE,416.2,0.8938373,0.39122964,weak,
1262,2018[Cd][sod]3[ASR]1,ja8b09631_si_002_ASR_pacman,-,[Cd].c1ccc2c(c1)N=C[N]2 MOFid-v1.sod.cat0;ja8b09631_si_002_ASR_pacman,[Cd1_Type-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][NH0][Ring1][=Branch1] MOFid-v2.sod.cat0;ja8b09631_si_002_ASR_pacman,5.75722,3.39104,5.53641,1.26217,687.695,628.253,497.755,316.957,289.561,229.414,6013.81,0.5494,0.43528,0,0,0,3,sod,unnamed,sod,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,11.95403448,0.724744379,0.033599788,0.831553116,0.049474807,0.871206519,0.060830184,0.001464621,0.29655051,696,SI,10.1021/jacs.8b09631,2018,2018/11/7,ACS,All Solvent Removed,FALSE,381.7,0.627651,0.626580442,weak,
1263,2018[Cd][sod]3[ASR]2,ja8b09631_si_003_ASR_pacman,-,[Cd].c1ccc2c(c1)N=C[N]2 MOFid-v1.sod.cat0;ja8b09631_si_003_ASR_pacman,[Cd1_Type-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][NH0][Ring1][=Branch1] MOFid-v2.sod.cat0;ja8b09631_si_003_ASR_pacman,4.79079,2.8376,4.79041,1.38339,0,0,0,313.866,628.548,454.353,2555.67,0.5118,0.36996,0,0,0,3,sod,unnamed,sod,unnamed,1,3,-P 2ybc,14,Cd,Yes,Cd,PACMAN-DDEC6,11.95403448,0.731263347,0.031797119,0.816093414,0.059955237,0.849278988,0.068462364,0.001180156,0.385823838,348,SI,10.1021/jacs.8b09631,2018,2018/11/7,ACS,All Solvent Removed,FALSE,366,0.56143844,0.626580442,weak,
1264,2019[Zr][csq]3[ASR]2,ja8b12525_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.csq.cat0;ja8b12525_si_002_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq.cat0;ja8b12525_si_002_ASR_pacman,30.40387,28.92149,30.40114,0.456762,3398.53,1533.03,3356.29,0,0,0,18510.9,0.835,1.82809,4.43375,0.0002,0.000437865,3,csq,unnamed,csq,unnamed,1,3,-P 6 2,191,Zr,Yes,Zr,PACMAN-DDEC6,12.54704049,0.767076132,0.030999771,0.841019896,0.053809782,0.898330434,0.058327596,0.001312543,0.376085433,486,SI,10.1021/jacs.8b12525,2019,2019/2/1,ACS,All Solvent Removed,FALSE,471.9,0.9492038,0.94,none,
1265,2019[Zr][csq]3[ASR]3,ja8b12525_si_003_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.csq.cat0;ja8b12525_si_003_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.csq.cat0;ja8b12525_si_003_ASR_pacman,30.18955,28.66113,30.18955,0.459784,3416.1,1551.15,3373.65,0,0,0,18358.4,0.8336,1.81302,4.4046,0.0002,0.000434987,3,csq,unnamed,csq,unnamed,1,3,-P 6 2,191,Zr,Yes,Zr,PACMAN-DDEC6,12.54704049,0.759201863,0.03211993,0.847738967,0.046810298,0.916059495,0.053985662,0.001568576,0.291998398,486,SI,10.1021/jacs.8b12525,2019,2019/2/1,ACS,All Solvent Removed,FALSE,468.1,0.9488023,0.94,none,
1266,2019[Cu][gar]3[ASR]1,ja8b13463_si_002_ASR_pacman,-,NC1=NC=NC2=NC=N[C]12.[Cu].[Cu]1[OH]2[Cu][OH]3[Cu]4562[OH]1[Cu][OH]6[Cu][OH]5[Cu][OH]4[Cu]3 MOFid-v1.gar.cat0;ja8b13463_si_002_ASR_pacman,[Cu1_Type-1].[Cu7H6O6_Type-1].[N][C][=N][C][=N][C][=N][C][=N][CH0][Ring1][=Branch2][Ring1][Branch1] MOFid-v2.gar.cat0;ja8b13463_si_002_ASR_pacman,8.37218,6.14771,8.37207,1.25702,2838.14,1856.08,1476.56,0,0,0,9309.21,0.6088,0.484318,0,0,0,3,gar,unnamed,gar,unnamed,1,3,-I 4bd 2c 3,230,Cu,Yes,Cu,PACMAN-DDEC6,13.84591005,0.753952809,0.024021809,0.857897957,0.035524298,0.90880693,0.043327614,0.001548541,0.298229809,836,SI,10.1021/jacs.8b13463,2019,2019/2/18,ACS,All Solvent Removed,TRUE,367.3,0.47359562,0.682083333,weak,
1267,2019[Fe][acs]3[ASR]1,ja8b13710_si_002_ASR_pacman,-,"[Fe][O]([Fe])[Fe].[O-]C(=O)c1ccc(cc1)c1cc2c(cc1c1ccc(cc1)C(=O)[O-])C1c3c(C2c2c1cc(c(c2)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])cc(c(c3)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.acs,ERROR.cat0;ja8b13710_si_002_ASR_pacman","[C6Fe3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][Branch2][Ring2][P][C][Ring1][P][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.acs,ERROR.cat0;ja8b13710_si_002_ASR_pacman",14.74444,13.5624,14.74444,0.51226,786.089,2104.2,4107.68,0,0,0,2957.27,0.7916,1.54531,0,0,0,3,acs,unnamed,unnamed,unnamed,1,3,P -6 2,187,Fe,Yes,Fe,PACMAN-DDEC6,10.47676982,0.871714853,0.036317122,0.98713211,0.053951736,1.050457995,0.068913789,0.001787431,0.344167322,110,SI,10.1021/jacs.8b13710,2019,2019/2/8,ACS,All Solvent Removed,FALSE,291.1,0.1133357,0.5,weak,
1268,2019[Cr][acs]3[ASR]1,ja8b13710_si_003_ASR_pacman,-,"[Cr][O]([Cr])[Cr].[O-]C(=O)c1ccc(cc1)c1cc2c(cc1c1ccc(cc1)C(=O)[O-])C1c3c(C2c2c1cc(c(c2)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])cc(c(c3)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.acs,ERROR.cat0;ja8b13710_si_003_ASR_pacman","[C6Cr3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][Branch2][Ring2][P][C][Ring1][P][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.acs,ERROR.cat0;ja8b13710_si_003_ASR_pacman",14.55008,13.60266,14.55008,0.517089,779.014,2126.23,4111.91,0,0,0,2900.29,0.7916,1.53088,0,0,0,3,acs,unnamed,unnamed,unnamed,1,3,P -6 2,187,Cr,Yes,Cr,PACMAN-DDEC6,10.37179982,0.878635159,0.038077247,0.960167269,0.060025322,1.026404926,0.071795576,0.001477698,0.437874933,110,SI,10.1021/jacs.8b13710,2019,2019/2/8,ACS,All Solvent Removed,FALSE,327.9,0.13868934,0.68,strong,
1269,2019[Co][sxb]3[ASR]1,ja9b00913_si_002_ASR_pacman,-,unknown,unknown,5.98053,5.13008,5.97854,1.20856,1064.55,1603.21,1326.54,0,0,0,3717.15,0.5598,0.463196,0,0,0,3,sxb,unnamed,sxb,unnamed,1,3,-P 2a 2bc,52,Co,Yes,Co,PACMAN-DDEC6,13.42431833,0.805344769,0.017853561,0.887424897,0.03483746,0.942997609,0.045426238,0.001376528,0.396804152,360,SI,10.1021/jacs.9b00913,2019,2019/3/12,ACS,All Solvent Removed,FALSE,386.4,0.8930012,0.441333333,unknown,
1270,2019[Cu][tbo]3[ASR]1,ja9b02114_si_006_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;ja9b02114_si_006_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;ja9b02114_si_006_ASR_pacman,13.1488,6.6112,13.1488,0.886045,957.34,2111.3,2382.83,0,0,0,3242.07,0.715,0.806957,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.742542819,0.012511011,0.811883764,0.022141316,0.875884249,0.033161142,0.001333414,0.343408607,156,SI,10.1021/jacs.9b02114,2019,2019/4/5,ACS,All Solvent Removed,FALSE,324.4,0.9490397,0.441178571,weak,
1271,2019[Zr][sjt]3[ASR]1,ja9b02294_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1CCC13CCc3c1c(OP(=O)(O2)[O])c(cc3c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O]12[Zr]34[O]5[Zr]62[O]2[Zr]71[O]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[O]43 MOFid-v1.sjt.cat0;ja9b02294_si_002_ASR_pacman,[C8O24Zr6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=C][Ring1][#C][C][C][C][Ring1][Branch1][C][C][C][=C][Ring1][Branch1][C][Branch1][N][O][P][=Branch1][C][=O][Branch1][Ring2][O][Ring1][#C][OH0][=C][Branch2][Ring1][Ring2][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sjt.cat0;ja9b02294_si_002_ASR_pacman,19.8152,12.73503,19.8152,0.586065,11113.2,1932.9,3298.1,0,0,0,45156.4,0.7854,1.34012,0,0,0,3,sjt,unnamed,sjt,unnamed,1,3,P 62 2c (0 0 1),180,Zr,Yes,Zr,PACMAN-DDEC6,12.38817695,0.79264224,0.027521192,0.869199717,0.047453113,0.932714776,0.05236041,0.001400725,0.37459837,1638,SI,10.1021/jacs.9b02294,2019,2019/4/15,ACS,All Solvent Removed,FALSE,390.7,0.88944906,0.92,none,
1272,2019[Zr][flu]3[ASR]1,ja9b02947_si_001_ASR_pacman,-,unknown,unknown,11.10377,9.04013,11.10377,0.647932,1462.74,2442.22,3769.25,0,0,0,4470.5,0.7464,1.15197,2.39577,0.0004,0.000617349,3,flu,unnamed,flt,unnamed,1,3,-F 2 2,69,Zr,Yes,Zr,PACMAN-DDEC6,11.56932871,0.793207513,0.0368061,0.876948689,0.059082588,0.931926709,0.063961956,0.001387192,0.381843784,202,SI,10.1021/jacs.9b02947,2019,2019/6/10,ACS,All Solvent Removed,FALSE,404.1,0.62657195,0.9,none,
1273,2019[Zn][cag]3[ASR]1,ja9b03234_si_006_ASR_pacman,-,unknown,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.cag.cat0;ja9b03234_si_006_ASR_pacman,5.03312,2.6658,5.00101,1.21021,0,0,0,265.346,605.746,500.532,2391.75,0.546,0.451163,0,0,0,3,cag,unnamed,cag,unnamed,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.832310996,0.015432863,0.92889313,0.007792102,1.036037238,0.006285374,0.002037262,0.219371944,272,SI,10.1021/jacs.9b03234,2019,2019/5/31,ACS,All Solvent Removed,TRUE,391.6,0.23279032,0.909574468,weak,
1274,2019[Zn][cag]3[ASR]2,ja9b03234_si_007_ASR_pacman,-,C1=C[N]C=N1.C1=N[CH]C=N1.[Zn] MOFid-v1.cag.cat0;ja9b03234_si_007_ASR_pacman,[Zn1_Type-1].[C][=C][NH0][C][=N][Ring1][Branch1].[C][=N][CH1][C][=N][Ring1][Branch1] MOFid-v2.cag.cat0;ja9b03234_si_007_ASR_pacman,4.93973,2.58182,4.87413,1.24583,0,0,0,237.491,558.115,447.987,2298.68,0.5402,0.433607,0,0,0,3,cag,unnamed,cag,unnamed,1,3,-P 2ac 2ab,61,Zn,No,N/A,PACMAN-DDEC6,11.73639059,0.826604413,0.015646539,0.929399199,0.007901851,1.035450817,0.005325288,0.002088464,0.199522396,272,SI,10.1021/jacs.9b03234,2019,2019/5/31,ACS,All Solvent Removed,TRUE,390.3,0.21209058,0.909574468,weak,
1275,2019[Co][nan]3[ASR]12,ja9b03422_si_002_ASR_pacman,-,O=C1C(=O)C(=O)C1=O.[Co].[OH] MOFid-v1.unknown.cat0;ja9b03422_si_002_ASR_pacman,[Co1_Type-1].[Co2_Type-1].[O][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Ring1][=Branch1][=O].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b03422_si_002_ASR_pacman,4.13692,3.80839,4.13692,2.1984,17.7015,538.87,245.12,0,0,0,121.411,0.3696,0.168123,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2y,12,Co,No,N/A,PACMAN-DDEC6,18.90848109,0.713990961,0.009983771,0.774394646,0.013527652,0.840508832,0.013915583,0.001265179,0.333485596,23,SI,10.1021/jacs.9b03422,2019,2019/5/15,ACS,All Solvent Removed,TRUE,275.1,0.6601127,0.49,strong,
1276,2019[Cu][tbo]3[ASR]2,ja9b03643_si_002_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;ja9b03643_si_002_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;ja9b03643_si_002_ASR_pacman,13.27559,6.66886,13.27082,0.886546,942.08,2078.82,2344.85,0,0,0,3242.06,0.7154,0.806952,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.745016336,0.01323263,0.806283823,0.026297858,0.860365587,0.038258785,0.001153493,0.400166202,156,SI,10.1021/jacs.9b03643,2019,2019/7/31,ACS,All Solvent Removed,FALSE,308.4,0.94823706,0.441178571,weak,
1277,2019[Cu][tbo]3[ASR]3,ja9b03643_si_005_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-] MOFid-v1.tbo.cat0;ja9b03643_si_005_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.tbo.cat0;ja9b03643_si_005_ASR_pacman,13.17214,6.65971,13.16873,0.883033,948.726,2085.19,2361.39,0,0,0,3254.04,0.7152,0.809936,0,0,0,3,tbo,unnamed,tbo,unnamed,1,3,-F 4 2 3,225,Cu,Yes,Cu,PACMAN-DDEC6,15.50951385,0.747536988,0.011709156,0.805205865,0.026888827,0.866453893,0.035310265,0.001189169,0.390189749,156,SI,10.1021/jacs.9b03643,2019,2019/7/31,ACS,All Solvent Removed,FALSE,307.5,0.94896114,0.958678571,weak,
1278,2019[Zn][nan]3[ASR]10,ja9b04432_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(c(c1)[O])C(=O)[O-].[OH].[Zn] MOFid-v1.unknown.cat0;ja9b04432_si_002_ASR_pacman,[Zn1_Type-1].[Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][OH0][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b04432_si_002_ASR_pacman,13.36572,13.28871,13.36572,1.2847,663.223,1308.04,1018.17,0,0,0,3273.41,0.6456,0.502532,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,P 61 2 (0 0 -1),178,Zn,Yes,Zn,PACMAN-DDEC6,16.343688,0.694471655,0.014225352,0.775871218,0.028366957,0.815756245,0.030242311,0.001212846,0.337536977,240,SI,10.1021/jacs.9b04432,2019,2019/6/14,ACS,All Solvent Removed,FALSE,390,0.9172369,0.671574468,weak,
1279,2019[Zn][nan]3[ASR]11,ja9b04432_si_003_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(c(c1)[O])C(=O)[O-].[OH].[Zn] MOFid-v1.unknown.cat0;ja9b04432_si_003_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][OH0][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b04432_si_003_ASR_pacman,11.52189,10.02524,11.52189,0.956305,961.166,1716.96,1795.41,0,0,0,3771.98,0.6738,0.704587,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,F 2 2 -1d,70,Zn,Yes,Zn,PACMAN-DDEC6,13.432324,0.75381642,0.025151697,0.839493435,0.0416361,0.884939821,0.048512678,0.001311234,0.367151318,240,SI,10.1021/jacs.9b04432,2019,2019/6/14,ACS,All Solvent Removed,FALSE,398.4,0.96365416,0.759374471,weak,
1280,2019[Th][bcu]3[ASR]1,ja9b04737_si_003_ASR_pacman,-,Cc1cc(ccc1c1ccc(cc1C)C(=O)[O-])C(=O)[O-].[O]12[Th]34[O]5[Th]62[O]2[Th]71[O]4[Th]14[O]3[Th]35[O]6[Th]2([O]71)[O]43 MOFid-v1.bcu.cat0;ja9b04737_si_003_ASR_pacman,[C8O24Th6_Type-2].[C][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;ja9b04737_si_003_ASR_pacman,15.26833,14.39286,15.26833,0.903901,2033.02,2133.7,2360.54,0,0,0,7437.69,0.7806,0.86359,7.62254,0.0008,0.000885053,3,bcu,unnamed,bcu,unnamed,1,3,-P 4c 2,131,Th,Yes,Th,PACMAN-DDEC6,18.26253437,0.525427463,0.023047459,0.580559939,0.03491345,0.623819539,0.03715673,0.000983921,0.232230045,284,SI,10.1021/jacs.9b04737,2019,2019/6/20,ACS,All Solvent Removed,FALSE,354,0.4544187,0.55,none,
1281,0000[U][bcu]3[ASR]1,ja9b04737_si_005_ASR_pacman,-,unknown,[C8O24U6_Type-1].[C][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.bcu.cat0;ja9b04737_si_005_ASR_pacman,15.22231,14.13895,15.22231,0.909255,2106.34,2193.34,2412.24,0,0,0,7525.19,0.7836,0.861805,7.68269,0.0008,0.000879841,3,bcu,unnamed,bcu,unnamed,1,3,-P 4c 2,131,U,Yes,U,PACMAN-DDEC6,18.51566887,0.519814092,0.022352149,0.56828062,0.034822792,0.61048389,0.038531713,0.000906698,0.248848575,284,SI,10.1021/jacs.9b04737,unknown,unknown,ACS,All Solvent Removed,FALSE,362.3,0.44496983,0.55,none,
1282,2019[Np][shp]3[ASR]1,ja9b06187_si_002_ASR_pacman,-,F[Np]123O[Np]4O[Np]56[O]3[Np]3O[Np]7(O1)(F)O[Np]18(F)O[Np]9[O]7[Np](O3)(O6)O[Np]3([O]8[Np]6O[Np]7(O1)(O[Np]18O[Np]%10(O2)[O]4[Np]2(O5)(F)O[Np](O%10)[O]1[Np]1(O2)(F)O[Np](O8)[O]7[Np](O1)(O6)O3)F)O9.[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.shp.cat0;ja9b06187_si_002_ASR_pacman,[C12F6Np18O54_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch2][Ring1][Ring2][=C][C][=Ring1][#C][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.shp.cat0;ja9b06187_si_002_ASR_pacman,11.81221,6.17137,8.35137,1.56151,1657.57,2389.39,1530.18,0.450495,0.64939,0.415873,4886.57,0.7044,0.451102,0,0,0,3,shp,unnamed,shp,unnamed,1,3,-P 6,175,Np,Yes,Np,PACMAN-DDEC6,27.87811188,0.394921262,0.0133015,0.428648549,0.019474535,0.446919696,0.023755661,0.000519984,0.241501981,234,SI,10.1021/jacs.9b06187,2019,2019/7/22,ACS,All Solvent Removed,FALSE,449.7,0.6178945,0.36,unknown,
1283,2019[Cu][lcv]3[ASR]1,ja9b06500_si_003_ASR_pacman,-,[Cu].[O-]C(=O)C(n1cnnc1)Cc1cnc[nH]1 MOFid-v1.lcv.cat0;ja9b06500_si_003_ASR_pacman,[Cu1_Type-1].[O-1][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][C][=C][N][=C][NH1][Ring1][Branch1] MOFid-v2.lcv.cat0;ja9b06500_si_003_ASR_pacman,8.44171,5.79866,8.44171,1.14002,1138.71,1368.88,1200.75,0,0,0,4505.32,0.5416,0.475078,0,0,0,3,lcv,unnamed,lcv,unnamed,1,3,P 4acd 2ab 3,212,Cu,Yes,Cu,PACMAN-DDEC6,10.12572,0.947927472,0.025174278,1.075873921,0.041861967,1.146942782,0.047647709,0.001990153,0.36036114,564,SI,10.1021/jacs.9b06500,2019,2019/8/20,ACS,All Solvent Removed,TRUE,352.1,0.37089226,0.76417303,weak,
1284,2019[Cu][lcv]3[ASR]2,ja9b06500_si_004_ASR_pacman,-,unknown,[Cu1_Type-1].[O-1][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][C][=C][N][=C][NH1][Ring1][Branch1] MOFid-v2.lcv.cat0;ja9b06500_si_004_ASR_pacman,8.43006,5.30741,8.43006,1.1655,1061.37,1304.41,1119.19,0,0,0,4260.39,0.5236,0.449251,0,0,0,3,lcv,unnamed,lcv,unnamed,1,3,P 4acd 2ab 3,212,Cu,Yes,Cu,PACMAN-DDEC6,10.12572,0.945569454,0.026264274,1.065317201,0.03559859,1.149380472,0.045419994,0.00203811,0.340083815,564,SI,10.1021/jacs.9b06500,2019,2019/8/20,ACS,All Solvent Removed,FALSE,339,0.3732348,0.78417303,strong,
1285,2019[Zn][sql]2[ASR]6,ja9b07633_si_001_ASR_pacman,-,[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.sql.cat0;ja9b07633_si_001_ASR_pacman,unknown,8.92524,4.60995,8.92524,1.04677,289.733,978.121,934.422,115.901,391.275,373.794,1707.38,0.5764,0.550649,0,0,0,2,sql,unnamed,unstable,unnamed,1,3,P 4,75,Zn,No,N/A,PACMAN-DDEC6,10.09299308,0.908054703,0.038576078,0.997623275,0.079526938,1.052705305,0.080489193,0.001446506,0.479850652,185,SI,10.1021/jacs.9b07633,2019,2019/10/13,ACS,All Solvent Removed,TRUE,333.7,0.7867726,0.88,none,
1286,2019[Zn][sql]2[ASR]7,ja9b07633_si_002_ASR_pacman,-,Cc1cc(C(=O)[O-])c(c(c1C)c1c(C)c(C)cc(c1O)C(=O)[O-])O.[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.sql.cat0;ja9b07633_si_002_ASR_pacman,unknown,8.13406,4.29439,8.13406,1.00105,465.745,1578.05,1576.39,0,0,0,1750.77,0.5932,0.592578,0,0,0,2,sql,unnamed,unstable,unnamed,1,3,P 1,1,Zn,No,N/A,PACMAN-DDEC6,9.617198054,0.945630545,0.048820139,1.017523939,0.096797013,1.073808725,0.093133385,0.001281782,0.56369744,185,SI,10.1021/jacs.9b07633,2019,2019/10/13,ACS,All Solvent Removed,FALSE,311.2,0.78079486,0.82,none,
1287,2019[Zn][sql]2[ASR]8,ja9b07682_si_004_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat0;ja9b07682_si_004_ASR_pacman,unknown,4.97084,2.47023,4.53227,1.12778,0,0,0,101.731,709.596,629.195,723.99,0.505,0.447781,0,0,0,2,sql,unnamed,sql,unnamed,1,3,-P 1,2,Zn,Yes,Zn,PACMAN-DDEC6,9.362001154,0.923658809,0.045942511,1.051248289,0.073622388,1.101596905,0.090280087,0.001779381,0.402718001,104,SI,10.1021/jacs.9b07682,2019,2019/9/25,ACS,All Solvent Removed,FALSE,373.3,0.5339702,0.433600733,unknown,
1288,2019[Zn][sql]2[ASR]9,ja9b07682_si_010_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Zn][Zn] MOFid-v1.sql.cat0;ja9b07682_si_010_ASR_pacman,unknown,6.59379,4.1364,6.37314,0.837466,855.881,2216.58,2646.77,0,0,0,2418.7,0.6264,0.747971,0,0,0,2,sql,unnamed,sql,unnamed,2,3,-P 2ybc,14,Zn,No,N/A,PACMAN-DDEC6,9.362001154,0.920508015,0.046665012,1.0523129,0.067796527,1.10068543,0.086298733,0.001801774,0.393881161,208,SI,10.1021/jacs.9b07682,2019,2019/9/25,ACS,All Solvent Removed,FALSE,424.4,0.65265787,0.362045442,weak,
1289,2019[Cu][rtl]3[ASR]2,ja9b07807_si_001_ASR_pacman,-,unknown,"[C4Cu2O8_Type-1].[F][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;ja9b07807_si_001_ASR_pacman",4.50326,2.98057,4.48392,1.31546,0,0,0,108.796,667.624,507.522,810.239,0.4972,0.377967,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,12.41290166,0.824660692,0.01787804,0.928080756,0.044381585,0.980519289,0.048680088,0.001558586,0.365581824,104,SI,10.1021/jacs.9b07807,2019,2019/10/11,ACS,All Solvent Removed,FALSE,315.9,0.667066,0.805519588,weak,
1290,2019[Cu][rtl]3[ASR]3,ja9b07807_si_002_ASR_pacman,-,"Fc1cncc(c1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu][Cu] MOFid-v1.rtl,sql.cat0;ja9b07807_si_002_ASR_pacman","[C4Cu2O8_Type-1].[F][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] MOFid-v2.rtl,sql.cat0;ja9b07807_si_002_ASR_pacman",4.38065,2.79948,4.2904,1.34725,0,0,0,69.8478,438.977,325.832,788.255,0.4954,0.367712,0,0,0,3,rtl,unnamed,rtl,unnamed,1,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,12.41290166,0.826927124,0.019920187,0.921239099,0.04415138,0.98075075,0.050333462,0.001538236,0.371256304,104,SI,10.1021/jacs.9b07807,2019,2019/10/11,ACS,All Solvent Removed,TRUE,301.5,0.7446916,0.67022964,weak,
1291,2019[Co][nan]3[ASR]13,ja9b09942_si_001_1_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;ja9b09942_si_001_1_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja9b09942_si_001_1_ASR_pacman,11.28103,10.74009,11.28103,1.18431,203.763,1552.8,1311.14,0,0,0,835.366,0.6366,0.537529,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.708121328,0.007809171,0.781242146,0.013569617,0.833843573,0.016337986,0.001257222,0.334374488,54,SI,10.1021/jacs.9b09942,2019,2019/10/18,ACS,All Solvent Removed,FALSE,229.2,0.9356729,0.180285714,weak,
1292,2019[Co][nan]3[ASR]14,ja9b09942_si_001_2_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;ja9b09942_si_001_2_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja9b09942_si_001_2_ASR_pacman,11.36787,10.91273,11.36787,1.17266,203.693,1537,1310.7,0,0,0,848.173,0.64,0.54577,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.708436396,0.008233099,0.782606937,0.013764781,0.834797367,0.016084589,0.00126361,0.333016834,54,SI,10.1021/jacs.9b09942,2019,2019/10/18,ACS,All Solvent Removed,FALSE,230.3,0.93729424,0.170285714,weak,
1293,2019[Co][nan]3[ASR]15,ja9b09942_si_001_3_ASR_pacman,-,[Co].[O-]C(=O)c1cc([O])c(cc1[O])C(=O)[O-] MOFid-v1.unknown.cat0;ja9b09942_si_001_3_ASR_pacman,[Co3_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][OH0][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][OH0][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;ja9b09942_si_001_3_ASR_pacman,11.34865,10.89912,11.34825,1.17224,206.907,1560.69,1331.37,0,0,0,850.326,0.6414,0.547156,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-R 3,148,Co,Yes,Co,PACMAN-DDEC6,17.33134833,0.703075242,0.010678494,0.781023229,0.01389377,0.834201194,0.016811261,0.00131126,0.313825724,54,SI,10.1021/jacs.9b09942,2019,2019/10/18,ACS,All Solvent Removed,FALSE,230,0.93718916,0.180285714,weak,
1294,2019[Bi][gra]2[ASR]1,ja9b10261_si_002_ASR_pacman,-,[Bi].[O-]C(=O)c1sc2c(c1)sc1c2sc(c1)C(=O)[O-] MOFid-v1.sql.cat1;ja9b10261_si_002_ASR_pacman,[Bi1C4O8_Type-1].[O-1][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring2][C][=Ring1][Branch1][S][C][=C][Ring1][=Branch1][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat1;ja9b10261_si_002_ASR_pacman,5.81023,4.28246,5.79468,1.31024,734.289,1872.32,1428.99,0,0,0,2371.91,0.6048,0.461595,0,0,0,2,gra,unnamed,gra,unnamed,1,3,-P 2ac 2n,62,Bi,Yes,Bi,PACMAN-DDEC6,19.83618872,0.609799637,0.008203489,0.675868407,0.014511063,0.721667023,0.017312299,0.001118674,0.277575837,156,SI,10.1021/jacs.9b10261,2019,2019/12/6,ACS,All Solvent Removed,TRUE,321.5,0.93426347,0.65,weak,
1295,2019[Cu][pcu]3[ASR]3,ja9b10268_si_002_ASR_pacman,-,unknown,[C6Cu2H2O12_Type-1].[O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;ja9b10268_si_002_ASR_pacman,4.92327,2.81682,4.91098,1.62879,0,0,0,91.3051,172.254,105.756,2022.71,0.3816,0.234285,0,0,0,3,pcu,unnamed,pcu,unnamed,2,3,-P 2ybc,14,Cu,No,N/A,PACMAN-DDEC6,11.92484585,0.871814675,0.020054657,0.992213578,0.036371245,1.050113328,0.04598743,0.001782987,0.347335237,436,SI,10.1021/jacs.9b10268,2019,2019/12/30,ACS,All Solvent Removed,TRUE,293.2,0.90619344,0.134076923,weak,
1296,2019[Al][fon]3[ASR]1,ja9b10501_si_002_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fon.cat0;ja9b10501_si_002_ASR_pacman,unknown,9.97158,8.15381,9.97158,0.58658,2645.03,2054.75,3502.94,0,0,0,9603.06,0.746,1.27178,0,0,0,3,fon,unnamed,fon,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.799993055,0.962482973,0.038366509,1.092185865,0.057111009,1.156688092,0.069008088,0.001942051,0.390734397,464,SI,10.1021/jacs.9b10501,2019,2019/11/1,ACS,All Solvent Removed,FALSE,321.1,0.29351735,0.48,strong,
1297,2019[Al][fon]3[ASR]2,ja9b10501_si_008_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fon.cat0;ja9b10501_si_008_ASR_pacman,unknown,9.86068,7.80765,9.81595,0.671413,2832.48,2094.85,3120.06,0,0,0,9786.6,0.7238,1.07802,0,0,0,3,fon,unnamed,fon,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,10.51344796,0.884670096,0.033446561,1.009542906,0.051761576,1.080714314,0.059654522,0.001960442,0.305487677,520,SI,10.1021/jacs.9b10501,2019,2019/11/1,ACS,All Solvent Removed,TRUE,372.7,0.41821867,0.51,strong,
1298,2019[Tb][urx]3[ASR]1,ja9b11260_si_005_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])C1=NN=N[N]1.[OH]12[Tb]34[OH]5[Tb]672[O]2[Tb]891[OH]4[Tb]14%10[OH]3[Tb]3%115[OH]7[Tb]57[OH]6[Tb]6%122[OH]9[Tb]2([OH]81)[OH]%10[Tb]([OH]35)([O]4%11)([OH]62)[OH]7%12 MOFid-v1.hxl.cat1;ja9b11260_si_005_ASR_pacman,unknown,15.78006,11.0802,15.76271,0.782532,3942.35,1744.07,2228.75,0,0,0,17545.5,0.7762,0.991908,4.52087,0.0002,0.000255581,3,urx,unnamed,urx,unnamed,1,3,-P 6c 2c,194,Tb,Yes,Tb,PACMAN-DDEC6,16.59236489,0.603712667,0.022320676,0.671529581,0.031661588,0.708265072,0.037375635,0.001045524,0.295235697,642,SI,10.1021/jacs.9b11260,2019,2019/12/3,ACS,All Solvent Removed,FALSE,378,0.70480895,0.64,none,
1299,2020[Co][nia]3[ASR]1,ja9b12924_si_002_1_ASR_pacman,-,"[Co][O]([Co])[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.nia-d,acs.cat0;ja9b12924_si_002_1_ASR_pacman",unknown,8.69859,4.5685,7.95673,0.898639,804.784,2183.14,2429.38,0,0,0,2383.61,0.6466,0.719532,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Co,No,N/A,PACMAN-DDEC6,11.33490847,0.868106453,0.033473516,0.953568427,0.06299428,1.018506059,0.070192517,0.001503996,0.42032836,176,SI,10.1021/jacs.9b12924,2020,2020/1/27,ACS,All Solvent Removed,TRUE,319.3,0.82737684,0.64,weak,
1300,2020[Co][nia]3[ASR]2,ja9b12924_si_002_2_ASR_pacman,-,"[Co][O]([Co])[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-].n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 MOFid-v1.nia-d,acs.cat0;ja9b12924_si_002_2_ASR_pacman",unknown,8.66528,4.57617,8.66528,0.897519,804.059,2178.45,2427.19,0,0,0,2396.18,0.6492,0.723327,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Co,No,N/A,PACMAN-DDEC6,11.33490847,0.86865744,0.03383189,0.953543541,0.063134399,1.017396824,0.069879169,0.001487394,0.425944759,176,SI,10.1021/jacs.9b12924,2020,2020/1/27,ACS,All Solvent Removed,TRUE,320.8,0.8244792,0.64,weak,
1301,2020[Mg][nia]3[ASR]1,ja9b12924_si_002_3_ASR_pacman,-,[Mg][O]([Mg])[Mg].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.acs.cat0;ja9b12924_si_002_3_ASR_pacman,unknown,8.55676,4.36478,8.46206,0.791044,828.997,2217.05,2802.69,0,0,0,2428.23,0.6494,0.82094,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Mg,No,N/A,PACMAN-DDEC6,9.787067912,0.944104355,0.034788713,1.086824187,0.067194874,1.135989876,0.081103715,0.001918855,0.384040156,182,SI,10.1021/jacs.9b12924,2020,2020/1/27,ACS,All Solvent Removed,TRUE,417.8,0.81312644,0.28,weak,
1302,2020[Mg][nia]3[ASR]2,ja9b12924_si_002_5_ASR_pacman,-,unknown,unknown,8.66431,4.52699,8.65237,0.797815,821.622,2208.78,2768.54,0,0,0,2411.91,0.6484,0.812719,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Mg,No,N/A,PACMAN-DDEC6,10.15440182,0.930136066,0.031572979,1.084095026,0.060965979,1.13624821,0.078530949,0.002061121,0.328767264,176,SI,10.1021/jacs.9b12924,2020,2020/1/27,ACS,All Solvent Removed,TRUE,387.6,0.8319971,0.26,weak,
1303,2020[Mg][nia]3[ASR]3,ja9b12924_si_002_6_ASR_pacman,-,[Mg][O]([Mg])[Mg].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.acs.cat0;ja9b12924_si_002_6_ASR_pacman,unknown,8.57077,4.44122,8.57077,0.809765,793.686,2165.64,2674.41,0,0,0,2358,0.6434,0.794552,0,0,0,3,nia-d,unnamed,nia-d,unnamed,1,3,-P 6c 2c,194,Mg,No,N/A,PACMAN-DDEC6,10.15440182,0.936483703,0.033431681,1.079684779,0.061763648,1.14034399,0.077974309,0.002038603,0.338659816,176,SI,10.1021/jacs.9b12924,2020,2020/1/27,ACS,All Solvent Removed,TRUE,388.1,0.83627856,0.26,weak,
1304,2020[Fe][hcb]2[ASR]1,ja9b13050_si_002_ASR_pacman,-,Cl[C]1C(=O)C(=O)[C](C(=O)C1=O)Cl.[Fe].[O]S(=O)(=O)[O] MOFid-v1.ERROR.cat1;ja9b13050_si_002_ASR_pacman,[Fe1_Type-1].[Cl][CH0][C][=Branch1][C][=O][C][=Branch1][C][=O][CH0][Branch1][=Branch2][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][Cl].[OH0][S][=Branch1][C][=O][=Branch1][C][=O][OH0] MOFid-v2.ERROR.cat1;ja9b13050_si_002_ASR_pacman,7.95164,6.60155,7.95164,1.26567,790.325,1535.82,1213.45,0,0,0,3069.05,0.5964,0.471215,0,0,0,2,hcb,unnamed,hcb,unnamed,2,3,-P 6c 2,193,Fe,No,N/A,PACMAN-DDEC6,20.01150204,0.729616423,0.009759924,0.777779734,0.01214071,0.838845416,0.010802332,0.00109229,0.39977905,196,SI,10.1021/jacs.9b13050,2020,2020/1/15,ACS,All Solvent Removed,TRUE,331.2,0.6391668,0.5,none,
1305,2020[Mg][nan]3[ASR]3,ja9b13793_si_002_ASR_pacman,-,[Mg].[O-]C(=O)c1ccc(cc1)c1ccnc(c1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ja9b13793_si_002_ASR_pacman,[Mg6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b13793_si_002_ASR_pacman,9.93189,8.79006,9.92818,0.813906,774.172,1609.69,1977.73,0,0,0,3092.48,0.643,0.790017,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Mg,No,N/A,PACMAN-DDEC6,10.3390814,0.91607092,0.034371294,1.086396042,0.047066631,1.144922251,0.062159935,0.002288513,0.248150078,228,SI,10.1021/jacs.9b13793,2020,2020/3/18,ACS,All Solvent Removed,FALSE,386.9,0.8999597,0.27,weak,
1306,2020[Mg][nan]3[ASR]4,ja9b13793_si_003_ASR_pacman,-,[Mg].[O-]C(=O)c1ccc(cc1)c1ccnc(c1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ja9b13793_si_003_ASR_pacman,[Mg6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b13793_si_003_ASR_pacman,9.79,8.43917,9.79,0.827764,381.731,1614.45,1950.37,0,0,0,1516.57,0.6414,0.774859,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Mg,No,N/A,PACMAN-DDEC6,10.3390814,0.91956756,0.033399069,1.083813601,0.04623693,1.156743389,0.058861523,0.002371758,0.223259437,114,SI,10.1021/jacs.9b13793,2020,2020/3/18,ACS,All Solvent Removed,FALSE,349.9,0.85175306,0.27,weak,
1307,2020[Mg][nan]3[ASR]5,ja9b13793_si_004_ASR_pacman,-,[Mg].[O-]C(=O)c1ccc(cc1)c1ccnc(c1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ja9b13793_si_004_ASR_pacman,[Mg6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b13793_si_004_ASR_pacman,9.59703,8.2007,9.59703,0.834085,768.037,1636.53,1962.06,0,0,0,3049.57,0.6498,0.779057,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Mg,No,N/A,PACMAN-DDEC6,10.3390814,0.930466933,0.02878633,1.102300717,0.031105648,1.193305646,0.036828664,0.002628387,0.155422273,228,SI,10.1021/jacs.9b13793,2020,2020/3/18,ACS,All Solvent Removed,FALSE,391.5,0.9068592,0.27,weak,
1308,2020[Mg][nan]3[ASR]6,ja9b13793_si_005_ASR_pacman,-,[Mg].[O-]C(=O)c1ccc(cc1)c1ccnc(c1)C(=O)[O-].[OH] MOFid-v1.unknown.cat0;ja9b13793_si_005_ASR_pacman,[Mg6_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.UNKNOWN.cat0;ja9b13793_si_005_ASR_pacman,9.66894,8.19667,9.66894,0.841078,380.259,1634.09,1942.85,0,0,0,1471.15,0.6322,0.751654,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 1,2,Mg,No,N/A,PACMAN-DDEC6,10.3390814,0.922206808,0.031529247,1.069008419,0.052689927,1.139940836,0.061963301,0.00217734,0.281649592,114,SI,10.1021/jacs.9b13793,2020,2020/3/18,ACS,All Solvent Removed,FALSE,351.2,0.85263664,0.27,weak,
1309,2020[Zn][hcb]2[ASR]2,jp0c05013_si_002_2_ASR_pacman,-,Cl[Zn]Cl.c1ccc2c(c1)n(cn2)c1cc(cc(c1)n1cnc2c1cccc2)n1cnc2c1cccc2 MOFid-v1.unknown.cat0;jp0c05013_si_002_2_ASR_pacman,[Cl2Zn1_Type-1].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;jp0c05013_si_002_2_ASR_pacman,4.433,3.76253,4.39928,1.39429,204.291,339.848,243.742,0,0,0,2634.13,0.4382,0.314281,0,0,0,2,hcb,unnamed,hcb,unnamed,4,3,-P 2ybc,14,Zn,No,N/A,PACMAN-DDEC6,11.36758595,0.824032954,0.02561501,0.920275461,0.058559263,0.966133277,0.070558967,0.001421003,0.40612943,444,SI,10.1021/acs.jpcc.0c05013,2020,2020/8/7,ACS,All Solvent Removed,FALSE,383.6,0.8798976,0.34,strong,
1310,2020[Fe][hcb]2[ASR]2,jp0c08140_si_002_ASR_pacman,-,[Fe].[NH]c1cc2c(cc1[NH])c1cc([NH])c(cc1c1c2cc([NH])c(c1)[NH])[NH] MOFid-v1.hcb.cat0;jp0c08140_si_002_ASR_pacman,[Fe1_Type-1].[NH1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][NH1][=C][Branch2][Ring1][Branch1][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][=C][Branch1][C][NH1][C][=Branch1][Ring2][=C][Ring1][#Branch1][NH1][NH1] MOFid-v2.hcb.cat0;jp0c08140_si_002_ASR_pacman,22.94791,15.58314,22.94791,0.175207,757.629,1009.07,5759.29,0,0,0,6993.14,0.9314,5.31599,0,0,0,2,hcb,unnamed,hcb,unnamed,1,3,P 6 -2,183,Fe,Yes,Fe,PACMAN-DDEC6,10.5625488,0.862087263,0.029708998,0.98346495,0.028022325,1.125291721,0.033811329,0.002632045,0.069065706,75,SI,10.1021/acs.jpcc.0c08140,2020,2020/11/24,ACS,All Solvent Removed,TRUE,198.5,0.65922844,0.51,weak,
1311,2010[Cr][bpq]3[ASR]1,jp102463p_si_002_ASR_pacman,-,[Cr].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O] MOFid-v1.rna.cat0;jp102463p_si_002_ASR_pacman,[Cr1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.rna.cat0;jp102463p_si_002_ASR_pacman,7.50679,7.09493,7.50679,1.02131,125.4,1661.42,1626.75,0,0,0,459.657,0.609,0.596292,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-I 2b 2,74,Cr,No,N/A,PACMAN-DDEC6,12.89502556,0.877785815,0.011576674,0.969513647,0.017516792,1.064850626,0.01107157,0.001870648,0.315989856,36,SI,10.1021/jp102463p,2010,2010/5/20,ACS,All Solvent Removed,TRUE,400.1,0.27404207,0.74,unknown,
1312,2012[Zn][bcs]3[ASR]1,jp209895d_si_002_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)CN1CCN(CCN(CC1)Cc1ccc(cc1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.pem.cat0;jp209895d_si_002_ASR_pacman,[C3O6Zn2_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pem.cat0;jp209895d_si_002_ASR_pacman,5.49532,3.6076,5.46456,1.0177,1504.88,1748.47,1718.05,0,0,0,4990.25,0.5798,0.569714,0,0,0,3,bcs,unnamed,bcs,unnamed,1,3,I -4bd 2c 3,220,Zn,Yes,Zn,PACMAN-DDEC6,9.28641831,0.930787374,0.052911608,0.990164437,0.095308361,1.063572477,0.098864753,0.001327851,0.530093569,568,SI,10.1021/jp209895d,2012,2012/1/20,ACS,All Solvent Removed,TRUE,357.1,0.9442471,0.818461538,unknown,
1313,2019[Bi][sra]3[ASR]1,jp9b02709_si_002_ASR_pacman,-,[Bi].[O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.sra.cat1;jp9b02709_si_002_ASR_pacman,[Bi1C4O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][C][Ring1][#C][=C][C][=C][C][=Ring1][=Branch1][C][Branch1][Branch1][C][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][Ring1][Branch2][C][C][=C][C][=Branch1][Branch1][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sra.cat1;jp9b02709_si_002_ASR_pacman,6.49014,5.45081,6.48375,1.13618,1628.91,1569.55,1381.42,0,0,0,5936.36,0.572,0.50344,0,0,0,3,sra,abw,sra,abw,2,3,-P 2n 2ab,60,Bi,Yes,Bi,PACMAN-DDEC6,11.83494773,0.760886033,0.027885655,0.857303895,0.054759878,0.900162618,0.06472046,0.001392766,0.351982802,600,SI,10.1021/acs.jpcc.9b02709,2019,2019/9/5,ACS,All Solvent Removed,TRUE,260.9,0.86943495,0.75,unknown,
1314,2019[ZnSi][pcu]3[ASR]1,jp9b03221_si_002_ASR_pacman,-,[Zn].n1ccncc1 MOFid-v1.sql.cat1;jp9b03221_si_002_ASR_pacman,unknown,3.94533,2.93868,3.94533,1.62116,0,0,0,27.279,181.1,111.71,649.214,0.431,0.265859,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,-I 4 2c,140,"Zn,Si",No,N/A,PACMAN-DDEC6,13.12970854,0.829406075,0.026191541,0.944797294,0.042765831,0.978126168,0.054219151,0.001487201,0.396922849,112,SI,10.1021/acs.jpcc.9b03221,2019,2019/7/2,ACS,All Solvent Removed,FALSE,300.9,0.7902868,0.56,superstrong_high_loading,
1315,2016[Co][sql]2[ASR]6,jz6b02458_si_004_1_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_1_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_1_ASR_pacman,4.66108,3.86054,4.54184,1.20751,39.5862,858.716,711.145,0,0,0,220.262,0.4778,0.39569,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.977980211,0.05940406,1.051673,0.102110184,1.124886571,0.112362227,0.001469064,0.537341001,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,357,0.9357854,0.599655172,superstrong_high_loading,
1316,2016[Co][sql]2[ASR]7,jz6b02458_si_004_10_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_10_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_10_ASR_pacman,4.20665,3.83355,4.20665,1.22915,38.7287,855.169,695.74,0,0,0,210.95,0.4658,0.378961,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.977187097,0.061151381,1.049537795,0.105138548,1.124715873,0.113761844,0.001475288,0.534129537,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,356,0.93428844,0.599655172,superstrong_high_loading,
1317,2016[Co][sql]2[ASR]8,jz6b02458_si_004_11_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_11_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_11_ASR_pacman,4.20971,3.77632,4.19238,1.23535,37.9469,842.134,681.697,0,0,0,207.729,0.461,0.373173,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.982213771,0.060281265,1.053295372,0.103824048,1.124188016,0.113833132,0.001419742,0.55632253,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,355.7,0.9339293,0.599655172,superstrong_high_loading,
1318,2016[Co][sql]2[ASR]9,jz6b02458_si_004_12_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_12_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_12_ASR_pacman,4.19956,3.75652,4.17587,1.23984,38.0213,846.853,683.032,0,0,0,205.988,0.4588,0.370047,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.979554173,0.05852083,1.054898286,0.101015668,1.127818509,0.112242411,0.001482643,0.535165147,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,355.9,0.93312913,0.599655172,superstrong_high_loading,
1319,2016[Co][sql]2[ASR]10,jz6b02458_si_004_13_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_13_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_13_ASR_pacman,4.19623,3.71,4.17573,1.24368,35.3178,789.069,634.465,0,0,0,205.532,0.4592,0.369228,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.983287541,0.057506611,1.065552291,0.09675161,1.132306222,0.109065738,0.001490187,0.538816632,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,355.6,0.92961574,0.599655172,superstrong_high_loading,
1320,2016[Co][sql]2[ASR]11,jz6b02458_si_004_14_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_14_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_14_ASR_pacman,4.67286,3.8587,4.67286,1.21108,40.3863,878.664,725.52,0,0,0,220.9,0.4806,0.396835,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.985274484,0.057140486,1.062495653,0.093929642,1.141064221,0.102057365,0.001557897,0.517680707,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,347.8,0.9418242,0.6,superstrong_high_loading,
1321,2016[Co][sql]2[ASR]12,jz6b02458_si_004_15_ASR_pacman,-,unknown,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_15_ASR_pacman,4.61953,3.83617,4.61698,1.2148,42.0028,916.634,754.558,0,0,0,216.742,0.473,0.389366,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.983786604,0.059637149,1.05622168,0.093586178,1.128436374,0.107251113,0.001446498,0.549874027,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,357.4,0.9360684,0.599655172,superstrong_high_loading,
1322,2016[Co][sql]2[ASR]13,jz6b02458_si_004_16_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_16_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_16_ASR_pacman,4.63589,3.84256,4.63589,1.22399,39.6763,872.414,712.764,0,0,0,215.205,0.4732,0.386605,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.976467757,0.060555247,1.059346381,0.091850595,1.132186957,0.105948568,0.001557192,0.510983164,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,347.5,0.94184303,0.6,superstrong_high_loading,
1323,2016[Co][sql]2[ASR]14,jz6b02458_si_004_18_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_18_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_18_ASR_pacman,4.31954,3.79016,4.22127,1.24876,37.1356,833.078,667.122,0,0,0,206.834,0.464,0.371567,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.986025261,0.05676157,1.058609517,0.097203424,1.130766576,0.107278196,0.001447413,0.551872518,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,353.6,0.9348991,0.599655172,unknown,
1324,2016[Co][sql]2[ASR]15,jz6b02458_si_004_2_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_2_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_2_ASR_pacman,4.64494,3.84289,4.64494,1.21106,40.9752,891.461,736.098,0,0,0,222.834,0.4848,0.40031,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.983293075,0.060899785,1.060446427,0.098804506,1.130890325,0.110586302,0.001475972,0.541619568,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,348.2,0.94135314,0.6,unknown,
1325,0000[Co][sql]2[ASR]2,jz6b02458_si_004_20_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_20_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_20_ASR_pacman,4.29333,3.83064,4.20427,1.2454,39.4285,882.134,708.313,0,0,0,205.247,0.4592,0.368716,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.985134756,0.056090703,1.063503465,0.090536242,1.138073632,0.103970261,0.001529389,0.526951219,37,SI,10.1021/acs.jpclett.6b02458,unknown,unknown,ACS,All Solvent Removed,FALSE,354.7,0.9348068,0.599655172,strong,
1326,2016[Co][sql]2[ASR]16,jz6b02458_si_004_21_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_21_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_21_ASR_pacman,4.18627,3.75936,4.00566,1.26836,35.4403,807.521,636.666,0,0,0,199.777,0.4552,0.358889,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.985815263,0.060336446,1.054207928,0.096515632,1.126711169,0.108611,0.001408959,0.56244245,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,353.2,0.9329808,0.599655172,superstrong,
1327,2016[Co][sql]2[ASR]17,jz6b02458_si_004_22_ASR_pacman,-,[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.ERROR.cat0;jz6b02458_si_004_22_ASR_pacman,unknown,4.01725,3.76571,4.00902,1.27853,33.3535,766.07,599.179,0,0,0,197.839,0.4544,0.355407,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.981251914,0.062454269,1.055661286,0.100679652,1.127988281,0.10983619,0.001467364,0.541389879,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,381,0.92361844,0.464655172,weak,
1328,2016[Co][sql]2[ASR]18,jz6b02458_si_004_24_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_24_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_24_ASR_pacman,4.10764,3.73688,3.89651,1.30898,32.6703,768.245,586.905,0,0,0,187.454,0.4408,0.336752,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.98650265,0.055243938,1.058254215,0.09144771,1.136166897,0.105674671,0.001496642,0.536483057,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,358,0.9282073,0.609655172,superstrong,
1329,2016[Co][sql]2[ASR]19,jz6b02458_si_004_25_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_25_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_25_ASR_pacman,4.08151,3.58716,4.08151,1.32951,30.3266,724.321,544.801,0,0,0,182.465,0.4358,0.327789,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.992828865,0.055581537,1.062932525,0.087677471,1.134873159,0.104630308,0.001420443,0.56638982,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,381.2,0.9156431,0.464655172,superstrong_high_loading,
1330,2016[Co][sql]2[ASR]20,jz6b02458_si_004_26_ASR_pacman,-,unknown,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_26_ASR_pacman,4.19359,3.69682,4.12012,1.33765,29.8381,717.014,536.026,0,0,0,183.603,0.4412,0.329832,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,1.000813272,0.052744691,1.069083421,0.084199818,1.139057802,0.101938875,0.001382445,0.585795644,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,368.3,0.93509483,0.479,unknown,
1331,2016[Co][sql]2[ASR]21,jz6b02458_si_004_28_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_28_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_28_ASR_pacman,4.1007,3.08003,4.1007,1.36322,0,0,0,18.7354,458.823,336.572,168.725,0.4132,0.303105,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.997570829,0.054114471,1.068993548,0.084414172,1.140473603,0.100907752,0.001429028,0.568852951,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,371.7,0.92137283,0.609655172,strong,
1332,2016[Co][sql]2[ASR]22,jz6b02458_si_004_29_ASR_pacman,-,unknown,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_29_ASR_pacman,4.1799,3.22279,3.99857,1.37912,0,0,0,22.16,549.016,398.092,169.848,0.4208,0.305123,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.991674648,0.052292735,1.057828255,0.09072053,1.129809466,0.105135007,0.001381348,0.576298925,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,371.6,0.92538863,0.479,unknown,
1333,2016[Co][sql]2[ASR]23,jz6b02458_si_004_3_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_3_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_3_ASR_pacman,4.63659,3.85779,4.63659,1.20938,40.3311,876.228,724.527,0,0,0,223.144,0.4848,0.400866,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.978355143,0.059904864,1.052520346,0.100808972,1.127079993,0.112590989,0.001487249,0.532114852,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,357.6,0.9359063,0.599655172,superstrong_high_loading,
1334,2016[Co][sql]2[ASR]24,jz6b02458_si_004_30_ASR_pacman,-,unknown,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_30_ASR_pacman,3.9849,3.02489,3.79466,1.39895,0,0,0,14.0451,352.972,252.312,162.506,0.4084,0.291933,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.994967303,0.053118419,1.078316927,0.079343754,1.142375967,0.099617034,0.001474087,0.555956409,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,369.8,0.9172044,0.609655172,strong,
1335,2016[Co][sql]2[ASR]25,jz6b02458_si_004_31_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_31_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_31_ASR_pacman,3.86625,2.93226,3.86034,1.41979,0,0,0,11.3411,289.265,203.737,156.199,0.3984,0.280604,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.995856252,0.052291419,1.076757403,0.077465435,1.143567526,0.097736182,0.001477113,0.555070932,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,368,0.9077642,0.609655172,strong,
1336,2016[Co][sql]2[ASR]26,jz6b02458_si_004_4_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_4_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_4_ASR_pacman,4.62661,3.85463,4.62661,1.21131,40.2822,876.564,723.649,0,0,0,222.513,0.4842,0.399732,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.977553127,0.060755029,1.058661579,0.098772385,1.129891517,0.112154668,0.001523384,0.522184376,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,348.4,0.94125855,0.6,superstrong_high_loading,
1337,2016[Co][sql]2[ASR]27,jz6b02458_si_004_5_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_5_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_5_ASR_pacman,4.64768,3.85754,4.64768,1.20975,38.7734,842.646,696.543,0,0,0,220.959,0.4802,0.39694,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P -2y,6,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.981646651,0.060949098,1.053700922,0.100716278,1.125495078,0.112958118,0.001438484,0.550144721,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,357.4,0.9359095,0.599655172,superstrong_high_loading,
1338,2016[Co][sql]2[ASR]28,jz6b02458_si_004_6_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_6_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_6_ASR_pacman,4.27686,3.8209,4.2456,1.21868,38.6076,845.234,693.565,0,0,0,214.133,0.4688,0.384678,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.983731339,0.060686068,1.056153893,0.104075721,1.127202525,0.113688442,0.001434712,0.55354677,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,355.4,0.9358318,0.599655172,unknown,
1339,2016[Co][sql]2[ASR]29,jz6b02458_si_004_7_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_7_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_7_ASR_pacman,4.2434,3.81453,4.1397,1.22317,39.8772,876.248,716.373,0,0,0,213.801,0.4698,0.384083,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.982635442,0.060689835,1.052849827,0.103557848,1.127828467,0.113258479,0.00145193,0.546262325,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,354.1,0.9354969,0.599655172,superstrong_high_loading,
1340,2016[Co][sql]2[ASR]30,jz6b02458_si_004_8_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_8_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_8_ASR_pacman,4.2228,3.84403,4.1449,1.22494,40.5944,893.3,729.258,0,0,0,212.129,0.4668,0.381079,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.984265528,0.060987953,1.050771065,0.10662133,1.127063015,0.115569372,0.001427975,0.554241998,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,355.1,0.93477714,0.599655172,superstrong_high_loading,
1341,2016[Co][sql]2[ASR]31,jz6b02458_si_004_9_ASR_pacman,-,C1CN2CCN1CC2.[Co].[O-]C(=O)c1ccc(cc1)C(=O)[O-] MOFid-v1.sql.cat0;jz6b02458_si_004_9_ASR_pacman,[C2Co1O4_Type-2].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.sql.cat0;jz6b02458_si_004_9_ASR_pacman,4.21121,3.83077,4.12494,1.22658,38.9163,857.518,699.11,0,0,0,211.482,0.466,0.379917,0,0,0,2,sql,unnamed,sql,unnamed,1,3,P 1,1,Co,Yes,Co,PACMAN-DDEC6,9.060027973,0.978663502,0.061276187,1.0520381,0.104821209,1.127975694,0.112956645,0.001493122,0.530299759,37,SI,10.1021/acs.jpclett.6b02458,2016,2016/12/21,ACS,All Solvent Removed,FALSE,356.1,0.9341817,0.599655172,superstrong_high_loading,
1342,2013[Zn][pcu]3[ASR]3,la304204k_si_003_ASR_pacman,-,C1CN2CCN1CC2.[O-]C(=O)c1cc(C)c(cc1C)C(=O)[O-].[Zn][Zn] MOFid-v1.pcu.cat0;la304204k_si_003_ASR_pacman,[C4O8Zn2_Type-1].[C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][O-1] MOFid-v2.pcu.cat0;la304204k_si_003_ASR_pacman,7.26135,5.92834,7.26135,0.928568,1522.94,1697.01,1827.56,0,0,0,5608.9,0.625,0.67308,0,0,0,3,pcu,unnamed,pcu,unnamed,1,3,I 4bw 2aw -1bw,142,Zn,Yes,Zn,PACMAN-DDEC6,9.504077576,0.951134574,0.051804882,1.056906588,0.081092446,1.165317144,0.05981513,0.002141826,0.308147106,528,SI,10.1021/la304204k,2013,2013/1/4,ACS,All Solvent Removed,FALSE,403.2,0.50333726,0.145041137,weak,
1343,2017[Al][fon]3[ASR]1,oc7b00169_si_002_1_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fon.cat0;oc7b00169_si_002_1_ASR_pacman,unknown,9.98366,7.9719,9.96206,0.593343,2613.66,2053.8,3461.39,0,0,0,9524.13,0.7484,1.26133,0,0,0,3,fon,unnamed,fon,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.799993055,0.959474494,0.035795682,1.075702983,0.068778069,1.12243995,0.079645699,0.001629655,0.482160049,464,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,321.9,0.29732716,0.48,strong,
1344,2017[Al][skl]3[ASR]1,oc7b00169_si_003_1_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_1_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_1_ASR_pacman,10.15927,6.3821,9.86613,0.633677,2702.24,2003.12,3161.1,9.46879,7.01903,11.0767,9721.01,0.7206,1.13717,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.948749286,0.040330095,1.064069784,0.075332845,1.121011769,0.084291035,0.001722625,0.441691591,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,403.6,0.35343903,0.66,strong,
1345,2017[Al][skl]3[ASR]2,oc7b00169_si_003_10_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_10_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_10_ASR_pacman,8.3964,7.60554,8.39098,0.654724,2824,2162.91,3303.54,0,0,0,9379.78,0.7184,1.09726,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.94108627,0.040381634,1.05689966,0.071538775,1.12122764,0.086465679,0.001801414,0.409243057,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,404.6,0.40419215,0.65,strong,
1346,2017[Al][skl]3[ASR]3,oc7b00169_si_003_11_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_11_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_11_ASR_pacman,8.62574,7.70256,8.62574,0.646098,2846.77,2151.62,3330.18,0,0,0,9547.36,0.7216,1.11686,0,0,0,3,skl,unnamed,skl,unnamed,1,2,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.944612937,0.040674445,1.053070267,0.07268316,1.120713593,0.086955329,0.001761007,0.423113309,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,401.3,0.40033275,0.65,strong,
1347,2017[Al][skl]3[ASR]4,oc7b00169_si_003_13_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_13_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_13_ASR_pacman,10.15182,6.62022,10.15037,0.629989,2716.93,2002.29,3178.29,13.9465,10.2781,16.3147,9794.2,0.7218,1.14573,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.950297633,0.040146266,1.061489638,0.072367144,1.12401687,0.085628098,0.001737192,0.437250717,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,401.1,0.34596765,0.66,strong,
1348,2017[Al][skl]3[ASR]5,oc7b00169_si_003_2_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_2_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_2_ASR_pacman,10.35623,6.6587,9.20464,0.629512,2714.32,1998.85,3175.24,14.1354,10.4094,16.5357,9790.75,0.721,1.14533,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.9478728,0.039704489,1.059284878,0.072676982,1.116496622,0.082980798,0.001686238,0.451034721,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,398.3,0.3726232,0.66,strong,
1349,2017[Al][skl]3[ASR]6,oc7b00169_si_003_3_ASR_pacman,-,unknown,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_3_ASR_pacman,10.38616,6.44431,9.73674,0.632101,2707.54,2002.06,3167.31,10.671,7.89052,12.483,9734.42,0.7198,1.13874,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.951793256,0.039254915,1.063603058,0.071551839,1.122766525,0.08417647,0.001709733,0.447647839,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,401.4,0.35807312,0.66,strong,
1350,2017[Al][skl]3[ASR]7,oc7b00169_si_003_4_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_4_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_4_ASR_pacman,9.17319,7.54253,8.93516,0.632497,2765.12,2045.91,3234.66,56.7679,42.0026,66.4076,9793.2,0.7246,1.14562,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.943321017,0.039763735,1.059905428,0.07294377,1.118389168,0.086165541,0.001750681,0.427800017,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,396.9,0.39271033,0.65,strong,
1351,2017[Al][skl]3[ASR]8,oc7b00169_si_003_5_ASR_pacman,-,unknown,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_5_ASR_pacman,8.9955,7.6172,8.9955,0.634587,2848.09,2114.26,3331.72,0,0,0,9790.59,0.7268,1.14531,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.941731652,0.040765052,1.055716338,0.075114567,1.115973097,0.085845152,0.001742414,0.427961969,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,398.3,0.38510963,0.65,strong,
1352,2017[Al][skl]3[ASR]9,oc7b00169_si_003_7_ASR_pacman,-,[Al]1[OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH][Al][OH]1.[O-]C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-] MOFid-v1.skl.cat0;oc7b00169_si_003_7_ASR_pacman,[Al8C16H8O40_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.skl.cat0;oc7b00169_si_003_7_ASR_pacman,8.76036,7.80708,8.556,0.641294,2867.45,2151.13,3354.37,0,0,0,9650.87,0.724,1.12897,0,0,0,3,skl,unnamed,skl,unnamed,1,3,P 4n 2n,94,Al,No,N/A,PACMAN-DDEC6,9.604292794,0.941192324,0.041694582,1.059300597,0.075106946,1.118503655,0.084740698,0.001773113,0.419075867,536,SI,10.1021/acscentsci.7b00169,2017,2017/6/7,ACS,All Solvent Removed,TRUE,397.8,0.40237853,0.65,strong,
1353,2018[Cd][dia]3[ASR]4,oc8b00378_si_003_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)n1ccnc1C MOFid-v1.dia.cat0;oc8b00378_si_003_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C] MOFid-v2.dia.cat0;oc8b00378_si_003_ASR_pacman,6.42829,6.05724,6.42434,1.19526,200.41,700.514,586.077,78.4699,274.283,229.476,1501.97,0.525,0.439235,0,0,0,3,dia,unnamed,dia,unnamed,4,3,P 4ab 2ab,90,Cd,No,N/A,PACMAN-DDEC6,10.50640245,0.852463589,0.036382411,0.945723258,0.074767754,1.001084073,0.085011616,0.001486205,0.412918614,196,SI,10.1021/acscentsci.8b00378,2018,2018/8/20,ACS,All Solvent Removed,TRUE,351.6,0.9202838,0.567558824,weak,
1354,2018[Cd][dia]3[ASR]5,oc8b00378_si_004_ASR_pacman,-,[Cd].[O-]C(=O)c1ccc(cc1)n1ccnc1C MOFid-v1.dia.cat0;oc8b00378_si_004_ASR_pacman,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C] MOFid-v2.dia.cat0;oc8b00378_si_004_ASR_pacman,6.06749,5.20735,6.06713,1.19499,217.172,758.933,635.095,58.956,206.029,172.41,1522.34,0.532,0.445191,0,0,0,3,dia,unnamed,dia,unnamed,4,3,P 4ab 2ab,90,Cd,No,N/A,PACMAN-DDEC6,10.50640245,0.850616759,0.032350386,0.951806485,0.07206903,1.004123353,0.083838391,0.001535066,0.398242454,196,SI,10.1021/acscentsci.8b00378,2018,2018/8/20,ACS,All Solvent Removed,TRUE,348.7,0.91253936,0.567558824,weak,
1355,2018[Cd][dia]3[ASR]6,oc8b00378_si_005_ASR_pacman,-,unknown,[C2Cd1O4_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C] MOFid-v2.dia.cat0;oc8b00378_si_005_ASR_pacman,6.01032,5.21202,6.00996,1.19718,225.118,788.145,658.333,61.8618,216.58,180.908,1492.13,0.5224,0.436357,0,0,0,3,dia,unnamed,dia,unnamed,4,3,P 4ab 2ab,90,Cd,No,N/A,PACMAN-DDEC6,10.50640245,0.853787802,0.033236608,0.949048732,0.074028605,1.004131273,0.083740026,0.001503435,0.409453787,196,SI,10.1021/acscentsci.8b00378,2018,2018/8/20,ACS,All Solvent Removed,TRUE,349.2,0.9117985,0.567558824,weak,
1356,2019[Cu][nan]3[ASR]7,oc9b00423_si_003_ASR_pacman,-,[Cu][Cu].[O-]C(=O)c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1)c1ccc(cc1)C(=O)[O-])F.n1ccncc1 MOFid-v1.unknown.cat0;oc9b00423_si_003_ASR_pacman,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][F].[N][=C][C][=N][C][=C][Ring1][=Branch1] MOFid-v2.UNKNOWN.cat0;oc9b00423_si_003_ASR_pacman,12.39799,11.34076,12.38885,0.600777,2361.01,2082.75,3466.76,0,0,0,8728.74,0.77,1.28167,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw -1bw,141,Cu,Yes,Cu,PACMAN-DDEC6,11.52049176,0.842603968,0.028516341,0.947673862,0.042101885,1.024132018,0.059120736,0.00181528,0.302788445,356,SI,10.1021/acscentsci.9b00423,2019,2019/6/24,ACS,All Solvent Removed,FALSE,284.5,0.84808826,0.521648352,weak,
1357,2019[Cu][nan]3[ASR]8,oc9b00423_si_007_ASR_pacman,-,Clc1nccnc1Cl.[Cu][Cu].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.unknown.cat0;oc9b00423_si_007_ASR_pacman,[C4Cu2O8_Type-1].[Cl][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;oc9b00423_si_007_ASR_pacman,12.61119,11.43871,12.60256,0.613806,2293.75,2003.01,3263.26,0,0,0,8797.07,0.7682,1.25154,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,I 4bw 2bw -1bw,141,Cu,Yes,Cu,PACMAN-DDEC6,11.89025798,0.831698615,0.026808452,0.927870726,0.041512052,0.996038516,0.054246997,0.001643399,0.343346298,356,SI,10.1021/acscentsci.9b00423,2019,2019/6/24,ACS,All Solvent Removed,FALSE,274,0.9270035,0.481648352,weak,
1358,2008[ZnSi][nan]3[ASR]1,om701262m-file004_ASR_pacman,-,[O-]C(=O)c1ccc(cc1)[Si](c1ccc(cc1)C(=O)[O-])(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Zn] MOFid-v1.unknown.cat0;om701262m-file004_ASR_pacman,[Zn1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Si][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.UNKNOWN.cat0;om701262m-file004_ASR_pacman,7.41499,5.39472,7.41426,1.09901,622.176,1610.29,1465.22,0,0,0,2183.8,0.5652,0.514283,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-P 2a 2bc,52,"Zn,Si",Yes,Zn,PACMAN-DDEC6,11.62304255,0.829314342,0.031661794,0.949204979,0.044575588,0.994422983,0.060067335,0.001651086,0.346433868,220,SI,10.1021/om701262m,2008,2008/3/5,ACS,All Solvent Removed,FALSE,294.7,0.96076465,0.56,weak,
1359,2019[Al][bpq]3[ASR]3,S0885715619000460sup002_ASR_pacman,-,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH] MOFid-v1.rna.cat0;S0885715619000460sup002_ASR_pacman,[Al1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.rna.cat0;S0885715619000460sup002_ASR_pacman,7.04136,6.93763,7.04136,0.969882,114.204,1602.65,1652.42,0,0,0,418.578,0.5874,0.605641,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-I 2b 2,74,Al,No,N/A,PACMAN-DDEC6,10.95283361,0.894560314,0.02185359,1.022411321,0.023831573,1.129004794,0.016105324,0.002344445,0.1947698,38,SI,10.1017/S0885715619000460,2019,2019/6/27,Other,All Solvent Removed,TRUE,355.2,0.21486488,0.36,weak,
1360,2019[Al][bpq]3[ASR]4,S0885715619000460sup003_ASR_pacman,-,[Al].[O-]C(=O)c1ccc(cc1)C(=O)[O-].[OH] MOFid-v1.rna.cat0;S0885715619000460sup003_ASR_pacman,[Al1_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[OH1] MOFid-v2.rna.cat0;S0885715619000460sup003_ASR_pacman,2.82773,2.51627,2.82773,1.46151,0,0,0,0,0,0,767.217,0.4056,0.277521,0,0,0,3,bpq,unnamed,rna,unnamed,1,3,-P 2ybc,14,Al,No,N/A,PACMAN-DDEC6,10.95283361,0.97608727,0.019473552,1.091097233,0.023073113,1.16823621,0.028598396,0.001921489,0.40595228,152,SI,10.1017/S0885715619000460,2019,2019/6/27,Other,All Solvent Removed,FALSE,377.2,0.625565,0.26,strong,
1361,2018[Ce][nan]3[ASR]3,sc8b03765_si_002_ASR_pacman,-,[Ce].[O-]C(=O)c1c(F)c(F)c(c(c1F)F)C(=O)[O-].[O] MOFid-v1.unknown.cat0;sc8b03765_si_002_ASR_pacman,[Ce4_Type-3].[O-1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][Branch2][F][F][C][=Branch1][C][=O][O-1].[OH0] MOFid-v2.UNKNOWN.cat0;sc8b03765_si_002_ASR_pacman,3.71483,2.61345,3.71117,2.16361,0,0,0,12.4506,103.41,47.795,492.197,0.4088,0.188943,0,0,0,3,unnamed,unnamed,unnamed,unnamed,1,3,-C 2yc,15,Ce,No,N/A,PACMAN-DDEC6,21.78845627,0.593469301,0.011538215,0.663328771,0.012290552,0.713306747,0.012419942,0.001198374,0.237270544,72,SI,10.1021/acssuschemeng.8b03765,2018,2018/11/23,ACS,All Solvent Removed,FALSE,329.8,0.80415636,0.71,strong,
1362,2018[Ni][fmz]3[ASR]1,sc8b04783_si_002_ASR_pacman,-,unknown,[C6Ni3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.fmz.cat0;sc8b04783_si_002_ASR_pacman,14.45825,5.7766,13.31961,0.56951,3660.45,2297.52,4034.19,0,0,0,12258.2,0.7694,1.35099,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,Yes,Ni,PACMAN-DDEC6,11.383706,0.847195148,0.033680575,0.944639763,0.04651993,1.011809855,0.064016731,0.001646147,0.358396781,480,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,FALSE,348.8,0.6553092,0.493076923,weak,
1363,2018[Ni][fmz]3[ASR]2,sc8b04783_si_003_ASR_pacman,-,[Ni][O]([Ni])[Ni].[O-]C(=O)c1cc(c2ccc(cc2)C(=O)[O-])c(c(c1)c1ccc(cc1)C(=O)[O-])F MOFid-v1.fmz.cat0;sc8b04783_si_003_ASR_pacman,[C6Ni3O13_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][=Branch1][Ring2][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][F] MOFid-v2.fmz.cat0;sc8b04783_si_003_ASR_pacman,14.03896,5.74243,14.03896,0.590083,3691.78,2309.64,3914.08,0,0,0,12307.9,0.77,1.3049,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,Yes,Ni,PACMAN-DDEC6,11.83346758,0.837848664,0.028594237,0.938573063,0.038234341,1.012425933,0.056142016,0.001745773,0.318595441,480,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,FALSE,425.7,0.8690841,0.533076923,weak,
1364,2018[Ni][fmz]3[ASR]3,sc8b04783_si_004_ASR_pacman,-,[Ni][O]([Ni])[Ni].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fmz.cat0;sc8b04783_si_004_ASR_pacman,unknown,11.37857,5.62966,11.37857,0.636492,3660.69,2246.67,3529.76,0,0,0,12034.7,0.7386,1.16042,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,9.91340781,0.938141995,0.042262222,1.021930572,0.08372808,1.066457548,0.086401036,0.001283156,0.559738937,630,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,TRUE,326.2,0.20558017,0.947692308,weak,
1365,2018[Ni][fmz]3[ASR]4,sc8b04783_si_006_ASR_pacman,-,unknown,unknown,10.18291,5.31145,10.18291,0.701722,3474.78,2131.8,3037.96,0,0,0,11488.1,0.7048,1.00439,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,10.15925823,0.900017978,0.041353886,1.018973426,0.059785394,1.080008471,0.073760896,0.001799905,0.369699901,678,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,TRUE,378.1,0.72260123,0.967692308,weak,
1366,2018[Ni][fmz]3[ASR]5,sc8b04783_si_007_ASR_pacman,-,[Ni][O]([Ni])[Ni].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fmz.cat0;sc8b04783_si_007_ASR_pacman,unknown,11.26978,4.9538,11.26978,0.698914,3096.86,1900.61,2719.38,0,0,0,11630.7,0.7138,1.0213,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,9.939141739,0.924220269,0.041214438,1.049491116,0.062328825,1.108444582,0.072744254,0.001842243,0.382600226,690,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,FALSE,334.9,0.67852855,0.95,weak,
1367,2018[Ni][fmz]3[ASR]6,sc8b04783_si_008_ASR_pacman,-,[Ni][O]([Ni])[Ni].[O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] MOFid-v1.fmz.cat0;sc8b04783_si_008_ASR_pacman,unknown,9.27355,5.5066,9.27355,0.683544,3855.17,2355.26,3445.66,0,0,0,11732.8,0.7168,1.04865,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,9.937746018,0.934494744,0.040676619,1.043812084,0.061346487,1.111489206,0.065546663,0.001769945,0.41045139,678,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,TRUE,343.6,0.41584727,0.94,weak,
1368,2018[Ni][fmz]3[ASR]7,sc8b04783_si_009_ASR_pacman,-,unknown,unknown,9.82981,4.0135,9.82981,0.751391,3512.53,2176.86,2897.11,0,0,0,11185.3,0.6932,0.922555,0,0,0,3,fmz,unnamed,fmz,unnamed,1,3,"-R 3 2""c",167,Ni,No,N/A,PACMAN-DDEC6,10.76890531,0.880154336,0.036851087,0.987817895,0.048562052,1.059929542,0.066374824,0.001797752,0.346754037,678,SI,10.1021/acssuschemeng.8b04783,2018,2018/12/27,ACS,All Solvent Removed,TRUE,366.1,0.79660755,0.95,weak,
1369,2019[Zr][bcu]3[ASR]3,sc9b00062_si_002_ASR_pacman,-,[O-]C(=O)C#CC(=O)[O-].[O]12[Zr]34[OH]5[Zr]62[OH]2[Zr]71[OH]4[Zr]14[O]3[Zr]35[O]6[Zr]2([O]71)[OH]43 MOFid-v1.bcu.cat0;sc9b00062_si_002_ASR_pacman,unknown,4.57421,2.50359,4.57421,2.18918,0,0,0,75.0481,378.329,172.817,766.889,0.3866,0.176596,0,0,0,3,bcu,unnamed,bcu,unnamed,1,3,P -4 -2n,118,Zr,No,N/A,PACMAN-DDEC6,19.81215636,0.70073271,0.009835204,0.766384894,0.008682363,0.800766972,0.012612602,0.001000343,0.405841606,132,SI,10.1021/acssuschemeng.9b00062,2019,2019/3/1,ACS,All Solvent Removed,TRUE,347,0.88859445,0.69,weak,
1370,2001[Cu][nan]3[ASR]3,science.1056698_ASR_pacman,-,unknown,[C4Cu2O8_Type-1].[O-1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] MOFid-v2.pto.cat0;science.1056698_ASR_pacman,16.36523,5.22927,16.36523,0.720658,2071.19,2117.08,2937.7,0,0,0,6938.28,0.7092,0.9841,0,0,0,3,unnamed,unnamed,unnamed,unnamed,2,3,-I 2 2 3,204,Cu,Yes,Cu,PACMAN-DDEC6,10.72168485,0.859320276,0.032232766,0.96108808,0.050313154,1.034919842,0.067724562,0.001755996,0.337177585,396,SI,10.1126/science.1056598,2001,2001/2/9,Science,All Solvent Removed,FALSE,354.6,0.94136333,0.507,weak,
1371,2019[Ni][fcu]3[ASR]1,tz9b00021_si_002_ASR_pacman,-,N1=C[C](C=N1)c1ccc(cc1)C1=C[N]N=C1.[N]1N=CC(=C1)c1ccc(cc1)C1=C[N]N=C1.[Ni]12[O]34[Ni]5[O]62[Ni]2[O]71[Ni]4[O]14[Ni]3[O]35[Ni]6[O]2([Ni]71)[Ni]43 MOFid-v1.fcu.cat0;tz9b00021_si_002_ASR_pacman,[C36H24N24Ni8O6_Type-1].[N][=C][CH0][Branch1][Branch1][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][NH0][N][=C][Ring1][Branch1].[NH0][N][=C][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][NH0][N][=C][Ring1][Branch1] MOFid-v2.fcu.cat0;tz9b00021_si_002_ASR_pacman,14.69154,5.16822,14.6905,0.740836,857.808,2108.7,2846.38,0,0,0,2975.3,0.7314,0.987263,2.44077,0.0006,0.000809896,3,fcu,unnamed,fcu,unnamed,1,3,-F 4 2 3,225,Ni,No,N/A,PACMAN-DDEC6,11.48642987,0.812526857,0.039586606,0.890098351,0.069995931,0.957798357,0.067456717,0.001452715,0.378357606,158,SI,10.1021/acsmaterialslett.9b00021,2019,2019/4/3,ACS,All Solvent Removed,TRUE,343.1,0.87448215,0.723333333,weak,
1372,2019[Ni][pcu]3[ASR]1,tz9b00021_si_006_ASR_pacman,-,FC(c1cc(cc(c1)C1=C[N]N=C1)C1=C[N]N=C1)(F)F.FC(c1cc(cc(c1)C1=C[N]N=C1)[C]1C=NN=C1)(F)F.FC(c1cc(cc(c1)[C]1C=NN=C1)[C]1C=NN=C1)(F)F.[Ni]12[O]34[Ni]5[O]62[Ni]2[O]71[Ni]4[O]14[Ni]3[O]35[Ni]6[O]2([Ni]71)[Ni]43 MOFid-v1.ERROR.cat0;tz9b00021_si_006_ASR_pacman,unknown,5.92744,3.68774,5.10504,1.05315,738.788,2107.89,2001.51,0,0,0,2125.35,0.6064,0.575796,1.40195,0.0004,0.000379813,3,pcu,unnamed,pcu,unnamed,1,3,-R 3,148,Ni,No,N/A,PACMAN-DDEC6,12.62979396,0.803198206,0.024426025,0.8943658,0.044919851,0.956819864,0.049591518,0.001536217,0.34711882,176,SI,10.1021/acsmaterialslett.9b00021,2019,2019/4/3,ACS,All Solvent Removed,TRUE,267.4,0.85415137,0.803333333,weak,