mol_id	log(IGC50-1)	MWt	MolVol	VMcGowan	N_Atoms	N_Carbon	N_Ntrgen	N_Oxygen	N_Sulfur	N_Fluorn	N_Chlorn	N_Bromin	N_Iodine	N_Halogen	N_Bonds	N_FrRotB	F_SgleB	F_DbleB	F_TpleB	F_AromB	F_AFRBWF	N_Rings	N_AromR	N_AlipR	N_Pisyms	N_IsolLP	Herndon	X0	X1	X2	Kappa1	Kappa2	Kappa3	Wiener	T_RDmtr	Blbn_J	Blbn_MSD	SsCH3	SssCH2	SsssCH	SssssC	SdCH2	SdsCH	SdssC	SaaCH	SaasC	SaaaC	StCH	SddC	StsC	SsNH2	SssNH	SsssN	SdsN	SaaN	SddsN	StN	SsOH	SssO	SsO-	SdO	SddssS	SsSH	SssS	SdssS	SdS	SaaS	SsF	SsCl	SsBr	SsI	SHsOH	SHsNH2	SHssNH	SHsSH	SHCH_321	SHdCH2	SHdsCH	SHaaCH	SHtCH	AlHdrxl_-OH	ArHdrxl_-OH	Carbonyl_C=O	Ether___-O-	PriAmine_-NH2	PriAmAli_-NH2	PriAmAro_-NH2	SecAmine_>NH	TerAmine_>N-	ArNitrog_=N-	Nitrile_C#N	Thiol___-SH	Sulfide_-S-	Oxime___=N-O-	Hdrzine_>N-N<	Sulfoxde_>S=O	Nitro___-NO2	Sulfone_>S(=O)=O	Sulfite_-SO3<	Sulfate_-OSO3	AlCbxyl_-COOH	Ester___C(=O)OC	Amide___C(=O)N<	Thioamd_C(=S)N<	Isothcnt_-N=C=S	Carbmte_>NC(=O)O<	M_CX	M_NO	M_PRX	M_UB	M_HB	M_POL	M_RNG	M_NO2	M_NCS	H_AlAlco	H_AlAcid	H_Phenol	H_AlPyri	H_Nitrle	H_Nitro	H_MultiN	T_Rgrav	T_Rgeom	T_Radmax	T_Dipole	T_PSA	T_Grav3	IHB	PHB	HBD	HBA	HBDo	HBAo	HBDn	HBAn	HBDch	HBAch	HBDoch	HBAoch	HBDnch	HBAnch	ABSQ	ABSQon	MaxQ	MinQ	NPA_ABSQ	NPA_AQon	NPA_AQh	NPA_AQc	NPA_MaxQ	NPA_MinQ	NPA_Q1	NPA_Q2	NPA_Q3	NPA_Q4	NPA_Q5	NPA_Q6	EEM_AFon	EEM_AFc	EEM_AFpl	EEM_AFnp	EEM_MaxF	EEM_XFon	EEM_NFon	EEM_XFh	EEM_XFc	EEM_NFc	EEM_XFpl	EEM_NFpl	EEM_XFnp	EEM_NFnp	EEM_F1	EEM_F2	EEM_F3	EEM_F4	EEM_F5	EEM_F6	Pi_ABSQ	Pi_AQo	Pi_AQn	Pi_AQc	Pi_MaxQ	Pi_MinQ	Pi_Q1	Pi_Q2	Pi_Q3	Pi_Q4	Pi_Q5	Pi_Q6	Pi_AFPlc	Pi_AFMic	Pi_MaxFPl	Pi_MaxFMi	Pi_FPl1	Pi_FPl2	Pi_FPl3	Pi_FPl4	Pi_FPl5	Pi_FPl6	Pi_FMi1	Pi_FMi2	Pi_FMi3	Pi_FMi4	Pi_FMi5	Pi_FMi6	EqualChi	EqualEta	Elephity	N_Electr	PolarizG	PolarizM	N_IoAcAt	N_IoBaAt	FAnion	FCation	FUnion	FZwitter	QAvgNeg	QAvgPos	F_NLP	F_HBP
known_1	-0.16	150.22198	168	225.71	11	10	0	1	0	0	0	0	0	0	11	3	0.454545455	0	0	0.545454545	0.333333333	1	1	0	1	1	0.821379409	8.104448007	5.325698503	4.253158111	9.090909091	4.792899408	3.265306122	168	0.636363636	2.132484961	3.458848994	1.993657407	1.603407029	-0.182962963	0	0	0	0	10.06449735	1.210046296	0	0	0	0	0	0	0	0	0	0	0	9.311354875	0	0	0	0	0	0	0	0	0	0	0	0	0	2.405253118	0	0	0	2.463762826	0	0	5.630373583	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	2.367209836	2.331955516	3.576977431	0.485667105	20.23	12.50776366	0	0	1	1	1	1	0	0	0.434703633	-0.756306792	0.434703633	-0.756306792	0	0	1.667919213	0.39276155	0.210352609	-0.39276155	6.485379486	0.756306792	3.09343629	2.635636404	0.434703633	-0.756306792	0.189501318	0.128684808	-0.469766939	-0.281003355	0.531495331	-0.367684107	1.51E-02	0.697178403	1.51E-02	0.697178403	9.36E-02	1.51E-02	1.51E-02	8.84E-02	9.36E-02	4.64E-02	1.51E-02	1.51E-02	9.36E-02	4.64E-02	0.045959759	8.21E-02	8.86E-02	7.54E-02	6.61E-02	5.48E-02	3.45E-02	0	0	3.45E-02	1.65E-02	-6.52E-03	-2.23E-04	1.10E-04	-7.46E-05	0	0	0	1	1	0.25	0.331840859	0.125	0.125	0.125	0	0	0	0.125764578	0.125814417	0.124186867	0	0	0	5.750651912	0.549986042	30.06439699	82	20.19526972	18.36848902	0	0	0	0	1	0	0	0	0.181818182	9.09E-02
known_2	0.87	178.27606	210	280.13	13	12	0	1	0	0	0	0	0	0	13	6	0.538461538	0	0	0.461538462	0.333333333	1	1	0	1	1	0.821379409	9.355524862	6.431851653	4.706924542	11.07692308	7.408163265	5.333333333	314	0.769230769	1.861874739	4.709510291	0	6.092456774	0	0	0	0	0	10.56890777	1.422683768	0	0	0	0	0	0	0	0	0	0	0	8.582618351	0	0	0	0	0	0	0	0	0	0	0	0	0	2.33322078	0	0	0	3.307595309	0	0	5.536834778	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	3.253459174	3.199482207	5.325137596	0.242570913	20.23	13.35428831	0	0	1	1	1	1	0	0	0.430897522	-0.75210907	0.430897522	-0.75210907	0	0	1.912996696	0.396317675	0.209934122	-0.396317675	7.786409975	0.75210907	3.866260347	3.168040558	0.430897522	-0.75210907	0.86977877	-0.955585406	-8.29E-02	-9.21E-02	-4.01E-03	0.150134329	1.14E-02	0.694831971	1.14E-02	0.694831971	7.39E-02	1.14E-02	1.14E-02	7.39E-02	0.072551759	3.88E-02	1.14E-02	1.14E-02	0.072551759	3.88E-02	3.89E-02	7.17E-02	7.21E-02	0.060589932	0.05266387	4.54E-02	0.033221682	0	0	0.033221682	1.59E-02	-6.28E-03	-2.07E-04	1.02E-04	-6.91E-05	0	0	0	1	1	0.25	0.331895869	0.125	0.125	0.125	0	0	0	0.125735778	0.125781839	0.124219306	0	0	0	5.673257457	0.460457722	34.94984299	98	24.64683825	22.05428673	0	0	0	0	1	0	0	0	0.153846154	7.69E-02
known_3	0.12	150.22198	168	225.71	11	10	0	1	0	0	0	0	0	0	11	4	0.454545455	0	0	0.545454545	0.318181818	1	1	0	1	1	0.821379409	7.9413113	5.431851653	3.999817761	9.090909091	5.625	3.786982249	182	0.727272727	1.95831315	3.818614694	0	3.392501181	0	0	0	0	0	10.36790635	1.361990741	0	0	0	0	0	0	0	0	0	0	0	8.544268393	0	0	0	0	0	0	0	0	0	0	0	0	0	2.343207625	0	0	0	2.378429493	0	0	5.544511527	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	2.634459146	2.574509502	4.259051222	0.310983852	20.23	12.5740632	0	0	1	1	1	1	0	0	0.435035574	-0.751479877	0.435035574	-0.751479877	0	0	1.701262397	0.396317484	0.209934124	-0.396317484	6.213076656	0.751479877	3.077575354	2.384021424	0.435035574	-0.751479877	0.568083193	-0.644688185	-9.73E-02	4.91E-02	-0.296244254	0.356087672	1.36E-02	0.696942064	1.36E-02	0.696942064	8.84E-02	1.36E-02	1.36E-02	8.84E-02	8.68E-02	4.64E-02	1.36E-02	1.36E-02	8.68E-02	4.64E-02	4.67E-02	8.53E-02	8.40E-02	6.68E-02	5.80E-02	4.52E-02	3.29E-02	0	0	3.29E-02	1.57E-02	-6.22E-03	-2.03E-04	1.00E-04	-6.78E-05	0	0	0	1	1	0.25	0.331909185	0.125	0.125	0.125	0	0	0	0.125728813	0.125773984	0.124227129	0	0	0	5.724798039	0.550543174	29.76452543	82	20.2092947	18.36848902	0	0	0	0	1	0	0	0	0.181818182	9.09E-02
known_4	0.06	150.22198	168	225.71	11	10	0	1	0	0	0	0	0	0	11	2	0.454545455	0	0	0.545454545	0.318181818	1	1	0	1	1	0.821379409	8.319990956	5.165831887	4.677068452	9.090909091	3.6	2.214532872	150	0.545454545	2.43437657	3.021137654	3.814814815	0.747037037	0	-0.665416667	0	0	0	9.737268519	0.988425926	0	0	0	0	0	0	0	0	0	0	0	9.794537037	0	0	0	0	0	0	0	0	0	0	0	0	0	2.461694444	0	0	0	1.641142007	0	0	5.746706633	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	2.069902913	2.036850591	3.13863192	0.499161077	20.23	12.38396961	0	0	1	1	1	1	0	0	0.436115111	-0.761380001	0.436115111	-0.761380001	0	0	1.631102377	0.385546437	0.211266435	-0.385546437	6.859451447	0.761380001	3.124322263	2.973749184	0.436115111	-0.761380001	-0.13308928	0.517734721	0.229620374	-1.133569826	0.141721991	-0.175445026	1.63E-02	0.700310915	1.63E-02	0.700310915	9.64E-02	1.63E-02	1.63E-02	8.83E-02	9.64E-02	3.37E-02	1.63E-02	1.63E-02	9.64E-02	3.37E-02	4.18E-02	7.57E-02	0.105265934	0.105720032	7.58E-02	3.63E-02	2.40E-02	0	0	2.40E-02	4.54E-03	-1.15E-02	-1.08E-04	5.35E-05	-3.61E-05	0	0	0	1	1	0.332285784	0.25	0.125532945	0.125556772	0.124443664	0	0	0	0.125	0.125	0.125	0	0	0	5.790519459	0.547928988	30.59713605	82	20.17502402	18.36848902	0	0	0	0	1	0	0	0	0.181818182	9.09E-02
known_5	0.97	179.26369	203	269.46	13	11	1	1	0	0	0	0	0	0	13	5	0.538461538	0	0	0.461538462	0.307692308	1	1	0	1	0	0.821379409	9.518661569	6.325698503	4.975232964	11.07692308	6.453333333	4.6875	302	0.769230769	1.959138319	4.526276559	2.183746018	4.387603983	0	0	0	0	0	7.520700586	1.686306716	0	0	0	0	5.547476031	0	0	0	0	0	0	0	5.5075	0	0	0	0	0	0	0	0	0	0	0	0	0	1.533411994	0	0	2.646450271	0	0	4.985209247	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11	2	0	3	0	2	0	0	0	0	0	0	0	0	0	0	3.120699901	3.074999399	5.294389292	1.054250926	35.25	13.34144676	0	0	1	2	0	1	1	1	0.756129189	-1.368824556	0	-0.548780304	0.756129189	-0.820044252	1.832682589	0.387840892	0.124228451	-0.257083874	8.535802279	1.368824556	3.838981208	3.327996515	0.378064594	-0.820044252	0.188566089	-0.127769675	9.11E-02	-1.175159584	1.226774983	-0.518523437	6.69E-02	0.631694323	6.69E-02	0.631694323	7.57E-02	5.77E-02	9.27E-03	5.85E-02	7.57E-02	3.63E-02	5.77E-02	9.27E-03	7.57E-02	3.63E-02	3.42E-02	6.23E-02	7.11E-02	6.36E-02	4.55E-02	3.69E-02	0.576913884	0.133411563	0.155045379	0.288456942	0.155045379	-6.74E-02	7.07E-03	-2.35E-02	-2.78E-02	-5.65E-03	2.07E-02	0	1	0.324982025	0.25	0.351087332	0.125	0.125	0.125	0	0	0	6.03E-02	8.42E-02	7.59E-02	4.28E-02	0.113727945	0	5.904014798	0.444846816	39.17909437	98	23.69354944	21.61249473	0	1	0	5.06E-03	0.994939134	0	0	5.06E-03	0.230379933	0.154235451
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