GET /api/molecules/?f_chemaxon_attributes__NbC__gte=12&f_chemaxon_attributes__NbC__lte=13&format=api&offset=40&versioned_sources=5%2C4
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
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    "next": null,
    "previous": "https://chem-rest.pasteur.fr/api/molecules/?f_chemaxon_attributes__NbC__gte=12&f_chemaxon_attributes__NbC__lte=13&format=api&limit=10&offset=30&versioned_sources=5%2C4",
    "results": [
        {
            "id": 10851,
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                {
                    "versioned_source": {
                        "id": 5,
                        "source_version": "",
                        "timestamp": "2018-06-29T14:39:53.771134Z",
                        "folder_path": "/data/MOE-CSV/TIMBAL/INPUT-TIMBAL",
                        "source": {
                            "id": 5,
                            "value": "TIMBAL",
                            "url_generator": "https://www.ebi.ac.uk/chembl/compound/inspect/{in_source_id}"
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                    "in_source_id": {
                        "id": 25200,
                        "value": "CHEMBL7576"
                    }
                }
            ],
            "inchi": {
                "id": 23049,
                "value": "InChI=1S/C12H14BrNO3/c1-7(2)10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1"
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                "weinerPath": 528,
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                "zagreb": 80,
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                    "id": 46536,
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                    "id": 47913,
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                    "id": 24316,
                    "value": "(2S)-2-[(2-bromophenyl)formamido]-3-methylbutanoic acid"
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                    "id": 23049,
                    "value": "NUBVVMYRSWGRBI-JTQLQIEISA-N"
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        {
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                "a_heavy": 25,
                "a_hyd": 8,
                "a_nB": 0,
                "a_nBr": 0,
                "a_nC": 13,
                "a_nCl": 0,
                "a_nF": 0,
                "a_nH": 16,
                "a_nI": 0,
                "a_nN": 7,
                "a_nO": 5,
                "a_nP": 0,
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                "BCUT_PEOE_2": 0.59576935,
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                "BCUT_SLOGP_2": 0.6310212,
                "BCUT_SLOGP_3": 2.3677845,
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                "BCUT_SMR_1": -0.42209405,
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                "BCUT_SMR_3": 2.7778664,
                "bpol": 22.281313,
                "b_1rotN": 7,
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                "b_ar": 6,
                "b_count": 41,
                "b_double": 5,
                "b_heavy": 25,
                "b_max1len": 4,
                "b_rotN": 11,
                "b_rotR": 0.44,
                "b_single": 30,
                "b_triple": 0,
                "chi0": 18.982763,
                "chi0v": 12.814364,
                "chi0v_C": 7.0938582,
                "chi0_C": 8.154336,
                "chi1": 11.684448,
                "chi1v": 6.744379,
                "chi1v_C": 3.1218441,
                "chi1_C": 4.1161566,
                "chiral": 1,
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                "density": 0.85962087,
                "diameter": 14,
                "FCharge": -1,
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                "GCUT_PEOE_2": 0.095538244,
                "GCUT_PEOE_3": 2.3417015,
                "GCUT_SLOGP_0": -2.1879234,
                "GCUT_SLOGP_1": -0.4406572,
                "GCUT_SLOGP_2": 0.13534535,
                "GCUT_SLOGP_3": 2.3330803,
                "GCUT_SMR_0": -0.55965674,
                "GCUT_SMR_1": -0.22933312,
                "GCUT_SMR_2": 0.21464403,
                "GCUT_SMR_3": 2.6362486,
                "Kier1": 23.040001,
                "Kier2": 11.658402,
                "Kier3": 9.4824486,
                "KierA1": 15.241007,
                "KierA2": 7.5664177,
                "KierA3": 6.0663877,
                "KierFlex": 4.612793,
                "lip_acc": 12,
                "lip_don": 9,
                "lip_druglike": 0,
                "lip_violation": 2,
                "logPow": -1.633,
                "logS": -2.4235499,
                "mr": 8.3999872,
                "mutagenic": 0,
                "nmol": 1,
                "opr_brigid": 7,
                "opr_leadlike": 0,
                "opr_nring": 1,
                "opr_nrot": 8,
                "opr_violation": 3,
                "PCplus": 8.3920002,
                "PCmoins": -9.3929996,
                "PEOE_PCplus": 3.2255101,
                "PEOE_PCmoins": -4.2255101,
                "PEOE_RPCplus": 0.11872002,
                "PEOE_RPCmoins": 0.13011059,
                "PEOE_VSAplus0": 38.414509,
                "PEOE_VSAplus1": 46.267059,
                "PEOE_VSAplus2": 6.6995511,
                "PEOE_VSAplus3": 25.857038,
                "PEOE_VSAplus4": 12.949531,
                "PEOE_VSAplus5": 38.806568,
                "PEOE_VSAplus6": 24.300587,
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                "PEOE_VSAmoins1": 12.254904,
                "PEOE_VSAmoins2": 12.196804,
                "PEOE_VSAmoins3": 0.0,
                "PEOE_VSAmoins4": 9.5579309,
                "PEOE_VSAmoins5": 33.784962,
                "PEOE_VSAmoins6": 51.364128,
                "PEOE_VSA_FHYD": 0.51101154,
                "PEOE_VSA_FNEG": 0.44649276,
                "PEOE_VSA_FPNEG": 0.2711972,
                "PEOE_VSA_FPOL": 0.48898846,
                "PEOE_VSA_FPOS": 0.55350721,
                "PEOE_VSA_FPPOS": 0.21779126,
                "PEOE_VSA_HYD": 178.45457,
                "PEOE_VSA_NEG": 155.92345,
                "PEOE_VSA_PNEG": 94.707016,
                "PEOE_VSA_POL": 170.7637,
                "PEOE_VSA_POS": 193.29485,
                "PEOE_VSA_PPOS": 76.056686,
                "petitjean": 0.5,
                "petitjeanSC": 1.0,
                "Q_PCplus": 8.3920002,
                "Q_PCmoins": -9.3929996,
                "Q_RPCplus": 0.14299333,
                "Q_RPCmoins": 0.102949,
                "Q_VSA_FHYD": 0.25710902,
                "Q_VSA_FNEG": 0.47140932,
                "Q_VSA_FPNEG": 0.3061232,
                "Q_VSA_FPOL": 0.74289095,
                "Q_VSA_FPOS": 0.52859068,
                "Q_VSA_FPPOS": 0.43676779,
                "Q_VSA_HYD": 89.78717,
                "Q_VSA_NEG": 164.62476,
                "Q_VSA_PNEG": 106.90382,
                "Q_VSA_POL": 259.43112,
                "Q_VSA_POS": 184.59354,
                "Q_VSA_PPOS": 152.5273,
                "radius": 7,
                "reactive": 0,
                "rings": 1,
                "RPCplus": 0.14299333,
                "RPCmoins": 0.102949,
                "rsynth": 1.0,
                "SlogP": -4.1057,
                "SlogP_VSA0": 176.04866,
                "SlogP_VSA1": 36.721375,
                "SlogP_VSA2": 51.706402,
                "SlogP_VSA3": 0.0,
                "SlogP_VSA4": 27.047791,
                "SlogP_VSA5": 0.0,
                "SlogP_VSA6": 0.0,
                "SlogP_VSA7": 88.460968,
                "SlogP_VSA8": 18.868406,
                "SlogP_VSA9": 26.618963,
                "SMR": 8.3147802,
                "SMR_VSA0": 138.1322,
                "SMR_VSA1": 31.671967,
                "SMR_VSA2": 53.787209,
                "SMR_VSA3": 7.1675434,
                "SMR_VSA4": 86.561874,
                "SMR_VSA5": 89.441139,
                "SMR_VSA6": 18.710625,
                "SMR_VSA7": 0.0,
                "VAdjEq": 0.40217918,
                "VAdjMa": 5.643856,
                "VDistEq": 3.6540191,
                "VDistMa": 8.9722414,
                "vdw_area": 349.21829,
                "vdw_vol": 406.35004,
                "vsa_acc": 77.255646,
                "vsa_acid": 50.121803,
                "vsa_base": 41.167557,
                "vsa_don": 74.013664,
                "vsa_hyd": 94.650116,
                "vsa_other": 73.729675,
                "vsa_pol": 151.2693,
                "Weight": 350.315,
                "weinerPath": 1772,
                "weinerPol": 32,
                "zagreb": 116,
                "ASA": 599.54153,
                "ASAplus": 290.006824,
                "ASAmoins": 244.143716,
                "ASA_H": 192.542742,
                "ASA_P": 406.998796,
                "CASAplus": 2433.73728,
                "CASAmoins": 2293.24194,
                "DASA": 45.8631144,
                "DCASA": 140.4953864,
                "dens": 1.1779351,
                "dipole": 11.9166702,
                "dipoleX": 8.83380214,
                "dipoleY": 6.21903962,
                "dipoleZ": 0.456356,
                "FASAplus": 0.483699138,
                "FASAmoins": 0.40721727,
                "FASA_H": 0.32117337,
                "FASA_P": 0.678826618,
                "FCASAplus": 4.05920314,
                "FCASAmoins": 3.8249918,
                "glob": 0.0305083384,
                "npr1": 0.1522865078,
                "npr2": 0.887551308,
                "pmi": 8205.38338,
                "pmi1": 1173.048466,
                "pmi2": 7188.52976,
                "pmi3": 8049.18876,
                "pmiX": 4350.26326,
                "pmiY": 2760.97082,
                "pmiZ": 1094.14942,
                "rgyr": 4.83194044,
                "std_dim1": 4.70425852,
                "std_dim2": 1.77393554,
                "std_dim3": 0.799366152,
                "vol": 297.4,
                "VSA": 349.061562,
                "vsurf_A": 3.18505422,
                "vsurf_CP": 0.0362637794,
                "vsurf_CW1": 2.87682542,
                "vsurf_CW2": 2.62426226,
                "vsurf_CW3": 2.11246704,
                "vsurf_CW4": 1.21673408,
                "vsurf_CW5": 0.70341066,
                "vsurf_CW6": 0.36838762,
                "vsurf_CW7": 0.16232924,
                "vsurf_CW8": 0.0643361664,
                "vsurf_D1": 692.325,
                "vsurf_D2": 394.3,
                "vsurf_D3": 277.525,
                "vsurf_D4": 216.025,
                "vsurf_D5": 171.65,
                "vsurf_D6": 138.825,
                "vsurf_D7": 102.75,
                "vsurf_D8": 68.725,
                "vsurf_DD12": 2.404163116,
                "vsurf_DD13": 0.727791688,
                "vsurf_DD23": 2.305333286,
                "vsurf_DW12": 0.541421354,
                "vsurf_DW13": 0.582842708,
                "vsurf_DW23": 0.665685416,
                "vsurf_EDmin1": -2.52951422,
                "vsurf_EDmin2": -2.49391564,
                "vsurf_EDmin3": -2.46645908,
                "vsurf_EWmin1": -9.71296074,
                "vsurf_EWmin2": -9.50282002,
                "vsurf_EWmin3": -9.33447114,
                "vsurf_G": 1.39883116,
                "vsurf_HB1": 341.35,
                "vsurf_HB2": 409.675,
                "vsurf_HB3": 371.2,
                "vsurf_HB4": 189.675,
                "vsurf_HB5": 90.05,
                "vsurf_HB6": 42.8,
                "vsurf_HB7": 19.625,
                "vsurf_HB8": 8.25,
                "vsurf_HL1": 0.536827056,
                "vsurf_HL2": 0.316893304,
                "vsurf_ID1": 1.102048138,
                "vsurf_ID2": 1.29413596,
                "vsurf_ID3": 1.43196226,
                "vsurf_ID4": 1.71846988,
                "vsurf_ID5": 2.00346932,
                "vsurf_ID6": 2.20718954,
                "vsurf_ID7": 1.92176972,
                "vsurf_ID8": 1.33457102,
                "vsurf_IW1": 0.4815581272,
                "vsurf_IW2": 0.84043978,
                "vsurf_IW3": 1.284784622,
                "vsurf_IW4": 1.65698856,
                "vsurf_IW5": 1.78938316,
                "vsurf_IW6": 1.89535448,
                "vsurf_IW7": 2.3514749,
                "vsurf_IW8": 2.79827254,
                "vsurf_R": 1.32536398,
                "vsurf_S": 543.749634,
                "vsurf_V": 720.65,
                "vsurf_W1": 1615.225,
                "vsurf_W2": 1150.65,
                "vsurf_W3": 701.15,
                "vsurf_W4": 313.45,
                "vsurf_W5": 148.7,
                "vsurf_W6": 68.4,
                "vsurf_W7": 29.35,
                "vsurf_W8": 11.55,
                "vsurf_Wp1": 1273.875,
                "vsurf_Wp2": 740.975,
                "vsurf_Wp3": 329.95,
                "vsurf_Wp4": 123.775,
                "vsurf_Wp5": 58.65,
                "vsurf_Wp6": 25.6,
                "vsurf_Wp7": 9.725,
                "vsurf_Wp8": 3.3
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            "chemaxon_attributes": {
                "id": 33127,
                "AromaticRatio": 0.24,
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                "Csp3Ratio": 0.15384616,
                "GCMolarRefractivity": 96.1456,
                "LogD": -4.71814739051713,
                "LogP": -3.94962892280942,
                "MeanAtomVolVdW": 6.10953896497927,
                "MolecularWeight": 351.129116675,
                "NbAcceptorH": 12,
                "NbAliphaticsAmines": 0,
                "NbAromaticsBonds": 6,
                "NbAromaticsEther": 0,
                "NbAromaticsSSSR": 1,
                "NbAtom": 42,
                "NbAtomNonH": 25,
                "NbBenzLikeRings": 1,
                "NbBonds": 25,
                "NbBondsNonH": 25,
                "NbBr": 0,
                "NbC": 13,
                "NbChiralCenters": 1,
                "NbCircuits": 1,
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                "NbCsp2": 11,
                "NbCsp3": 2,
                "NbDonorH": 10,
                "NbDoubleBonds": 5,
                "NbF": 0,
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                "NbMultBonds": 11,
                "NbN": 7,
                "NbO": 5,
                "NbRings": 1,
                "NbRotatableBonds": 7,
                "RandicIndex": 11.68444830575,
                "RotatableBondFraction": 0.28,
                "SumAtomPolar": 26.6204713333333,
                "SumAtomVolVdW": 256.600636529129,
                "TPSA": 217.09,
                "Ui": 3.58496250072116,
                "WienerIndex": 1772
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            "inhouse_attributes": {
                "id": 33096,
                "nb_sources": 1
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            "canonical_smiles": [
                {
                    "id": 48894,
                    "value": "NC(=N)Nc1cccc(c1)C(=O)NNC(=O)N[C@@H](CC(O)=O)C(N)=O"
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            ],
            "canonical_smiles_ob": [
                {
                    "id": 52501,
                    "value": "NC(=N)Nc1cccc(c1)C(=O)NNC(=O)N[C@@H](CC(=O)O)C(=O)N"
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            ],
            "iupac_name": [
                {
                    "id": 25637,
                    "value": "(3S)-3-({[(3-carbamimidamidophenyl)formohydrazido]carbonyl}amino)-3-carbamoylpropanoic acid"
                }
            ],
            "inchi_key": [
                {
                    "id": 25568,
                    "value": "RWPTVACWWYHISB-QMMMGPOBSA-N"
                }
            ]
        }
    ]
}