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34	1	Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O	-0.52277577	0.16715819	-0.60220194	0.013838772	0.26406962	-0.3551174	0.6768058	-0.03140713	0.22242486	-0.009670876	0.40773043	-0.63668424	-0.427688	0.6204666	-0.31123033	0.19629528	-0.67262304	-0.35569942	0.045538377	0.75654197	0.6437662	0.19899875	0.7610096	0.10299622	0.36251444	-0.012732486	0.4094303	0.509011	0.29215595	0.3533137	0.34518084	-0.1453956	-0.29525402	-0.62657154	0.6815955	0.17575884	-0.13752158	-0.08318591	0.9996673	0.21450365	-0.557441	-0.34575015	-0.505671	0.65932834	0.11922098	0.7013367	-0.16365139	-0.14013219	-0.66878074	-0.28783694	-0.5397787	0.79385954	0.5574791	0.41199914	0.40441108	0.38711134	-0.551881	-0.94293	0.086706	0.23753354	0.38133875	0.63054043	0.38202533	-0.22388555	0.023758052	0.49395028	-0.47605687	-0.6343731	-0.15310587	0.28128937	-0.9933251	-0.9927393	-0.11439165	0.27896628	-0.32232615	-0.5566671	-0.008739342	-0.03547331	0.5549229	-0.9999378	0.08568872	-0.10044062	-0.9541392	-0.24560758	-0.41156203	-0.3246343	0.22806758	0.19601633	-0.3888508	0.5002903	-0.29635566	0.15300451	-0.4601658	0.5818549	0.9999439	-0.32915428	-0.8431343	-0.52179205	-0.3014492	0.17118384	0.1365985	0.18448097	-0.24130057	0.95054847	-0.9995525	-0.65548086	-0.054828063	0.8141571	-0.99978054	-0.39244872	-0.4755018	0.39175117	-0.49633637	-0.5683297	-0.1997427	0.18173398	0.1518402	-0.31660932	0.8881988	-0.28274325	-0.17735183	0.06762545	-0.093329325	0.0853264	-0.3121795	-0.231261	0.5530218	-0.5383115	0.12810089	0.99142337	-0.31507325	-0.17446266	0.043662388	-0.05312001	0.38352585	-0.9843717	-0.18493597	-0.57306063	0.22825111	0.6824033	-0.9999999	-0.5435694	-0.75804067	0.024085745	-0.54907185	0.1587609	0.004189246	0.15726805	-0.99570394	0.44084013	-0.4123322	0.7973918	-0.40640146	-0.48243403	0.25384447	0.24618441	-0.50078166	-0.93921804	-0.7687762	0.33320376	0.13971806	-0.24038856	0.04568264	0.6190174	-0.148837	-0.63999474	0.5498134	-0.3071506	-0.038458597	0.7174361	0.385262	-0.48638457	0.41173148	0.13180669	-0.1889661	-0.5094573	0.0975883	0.12255968	-0.08026893	0.007669584	0.4419267	-0.99638784	0.23204361	-0.5860489	0.85354155	-0.02170901	0.39700294	0.13716382	0.77665496	-0.16316712	-0.61163145	0.41792065	-0.064730026	0.67151135	-0.35372517	0.28030044	-0.04865691	-0.22850063	-0.4281266	-0.4041148	0.3781206	-0.51634544	0.6899996	-0.39072347	-0.09586094	0.12685165	-0.28356287	0.68100756	-0.11202254	-0.9999715	-0.88404334	0.31578344	0.2018513	-0.62612474	0.46866387	0.25588918	0.37444955	-0.7616121	-0.6898462	0.028424427	0.5529191	-0.3364892	0.058041964	-0.6620764	0.9766605	0.23684672	0.14487103	0.13533922	-0.3988023	-0.33203295	0.2777262	0.3701918	0.23510757	-0.6205778	-0.677503	0.59973854	0.20948261	0.17974758	0.06607089	0.006511422	0.80634916	-0.11763292	-0.36132774	-0.24249876	-0.4006743	0.54959303	0.53704685	0.7290265	0.13148496	0.022066923	0.6659595	0.101943836	-0.7840735	-0.30350187	0.2498076	-0.80766803	-0.46015018	-0.42342982	-0.5064479	-0.5718243	0.112501346	0.3476243	0.54388636	0.20895374	0.09587559	0.5281066	-0.28710103	0.07026739	0.9609779	0.4461233	-0.20637266	0.9915711	-0.27730983	-0.46974123	0.6940347	0.07047669	0.18264434	0.37733006	-0.13876326	-0.67392796	0.32612005	0.9587378	-0.47098297	-0.23918842	-0.23297739	0.6507517	-0.7651397	-0.5592445	-0.98686963	0.14295718	0.5320325	-0.00430924	0.035492685	-0.15798785	-0.2512535	0.6231676	1	-0.45672005	0.16591503	-0.64862865	-0.007063998	0.37856495	-0.1475197	-0.5709223	0.18935743	0.8711827	-0.99723226	-0.31007028	0.63618803	0.3352679	-0.3327406	-0.6862019	-0.03241985	-0.15051262	-0.76876837	0.010243141	-0.6216737	-0.35225388	0.93461597	0.20215257	0.2405903	0.68948346	0.0082521	-0.081004374	0.022067776	0.013056782	-0.8215682	-0.54031414	-0.54010856	0.44088283	0.30803838	0.3905163	-0.029594954	-0.36609903	-0.039073996	-0.7629066	-0.3622502	0.4188099	-0.3823655	0.039017633	-0.2633841	-0.611661	0.03664794	-0.12294747	0.14867714	-0.6573329	0.65654737	0.32975513	-0.435963	-0.9837203	-0.11833865	0.60297215	-0.1437012	0.05808113	0.5498274	-0.3267611	0.079318464	0.9995723	0.12599047	-0.12826756	-0.08832363	0.39356428	0.100171454	-0.35487294	0.4265334	-0.3079441	-0.105056584	0.5088217	-0.369178	-0.8895662	-0.20364039	-0.65167516	-0.18466559	-0.86001277	0.022685314	-0.9999999	0.3993084	0.32093266	0.76957023	-0.7328475	-0.15085548	-0.7912566	-0.33894536	0.39124584	-0.19333792	0.07537148	0.4276649	0.6454997	0.50457656	-0.7942975	-0.59780747	0.4435749	-0.71786624	0.13738209	-0.27984783	-0.06057531	0.79399407	0.046320893	-0.041261088	0.035028264	0.9974503	0.79639447	0.4488538	-0.021641916	-0.38722923	0.42486948	0.26761478	0.19827318	0.20510446	-0.43382335	-0.14075331	-0.31097403	-0.7349371	-0.44206715	0.3868937	0.66981363	0.8950126	0.07338239	-0.97421473	0.12157954	0.99925184	0.044022165	0.076741286	-0.97616047	-0.7483293	-0.72382134	0.13089554	0.23344986	-0.7453614	-0.15857175	-0.33838952	0.4305502	-0.13868913	-0.03332239	0.7352465	-0.08611648	-0.2060453	-0.71388954	-0.9998945	1	0.6831032	0.52947676	-0.30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35	2	NNc1nncc2ccccc12	-0.6584025	0.38181752	0.21101855	0.02041387	0.56490445	-0.124104075	0.25247812	0.5627779	-0.05986423	0.005080845	-0.14128049	0.2087932	0.1722643	-0.5990255	-0.34780204	0.7514118	0.102489114	0.022421217	-0.40580824	-0.5605206	0.35749808	-0.7815071	-0.11120387	0.42009732	0.42448452	0.4371968	0.7472972	0.11183715	0.093078256	-0.25223008	-0.0790122	-0.129002	-0.55792016	-0.12613955	-0.3353714	-0.6356989	0.39421883	0.08306386	0.15436623	-0.9190629	-0.9851759	0.13486366	-0.3544691	-0.21107738	-0.21063979	-0.9963099	0.23421837	0.10924314	0.031822085	0.30299988	-0.6118078	-0.1599719	0.3523681	-0.32082698	-0.85995394	0.45564872	-0.7514119	0.9582253	-0.19318244	0.2839051	-0.4316661	0.14827335	0.75654244	-0.15463753	0.80866396	-0.4940046	0.47268295	0.22291094	0.5732863	-0.532532	-0.6985993	-0.9989513	0.47566682	-0.63819635	-0.1739924	0.3421071	-0.59116566	-0.2468992	0.6059585	-0.99617165	-0.16268545	-0.28069833	-0.8779535	-0.29472739	0.26623657	0.67838454	0.4499328	-0.73294353	0.08237183	0.785237	0.23408431	-0.50365657	0.11331426	-0.20525701	0.9699934	-0.62253046	-0.70144004	0.41528305	0.72876537	-0.43508962	0.49151775	-0.69281733	0.25571722	-0.7111331	0.9529244	-0.9247462	0.36846548	-0.17722292	-0.9995102	-0.21837977	-0.6309938	-0.18668339	-0.74355954	-0.16660516	-0.7459898	-0.39669278	0.10331501	-0.0557785	0.9993826	-0.23526137	-0.24205774	-0.40976965	-0.114172734	0.039739884	-0.32481444	0.10236591	-0.6637946	0.13372476	-0.331478	0.9836126	-0.025094489	0.22765541	0.40753138	0.022903904	0.17276913	-0.53415686	0.6267441	0.33300954	-0.04570439	0.11277109	-0.99969953	0.24650548	0.9632983	0.47639313	0.7394868	0.35366958	0.38084176	0.167614	0.99619275	-0.006514058	0.28598723	0.051378887	-0.73405516	0.0498357	0.2705254	-0.2852192	-0.50050545	0.99917805	0.5975646	0.451843	-0.99601305	-0.3699703	-0.20858634	-0.4178297	0.15962344	0.46209368	-0.46429724	0.05401179	-0.29902554	-0.46225426	-0.43619102	-0.101034164	0.32782257	0.20317344	0.10235225	-0.023260746	-0.7855164	0.47616687	-0.7289123	-0.29739895	0.59614974	-0.83345777	0.18949993	-0.37645742	-0.79371786	-0.5789743	0.63087773	-0.4220861	-0.21373239	0.075083874	0.9489075	-0.2720621	-0.18338524	-0.25920677	0.27598283	0.33059594	-0.011069443	-0.09662766	0.14596476	-0.17962201	0.17621975	0.16103187	-0.6856886	0.66461945	0.6513337	0.01678335	0.4544573	-0.26282457	-0.27266413	-0.94518113	-0.52010655	-0.51254815	-0.07738619	0.294224	0.2103502	-0.3028318	0.25426176	-0.48226747	0.030797984	0.32950446	-0.122904114	-0.24781495	0.5501309	0.78641665	0.9342511	0.017532736	-0.058989976	-0.25205177	0.24811192	0.14428042	-0.20667125	0.08938726	0.38374308	0.060197238	0.24394964	-0.8210727	-0.8252015	-0.27372703	0.18733183	-0.3292194	0.9338939	-0.52928233	-0.17671782	0.2383389	0.6762489	0.035814777	-0.02055762	0.0758229	-0.008179164	0.1730071	-0.6910628	-0.963302	-0.2129861	0.11273624	-0.42384	-0.2992702	0.41351053	0.46886832	-0.6284365	-0.49528	-0.8091846	-0.55296993	-0.6930456	-0.6274002	-0.27387646	0.10446984	-0.29423434	-0.5375908	-0.9944672	0.38021493	0.70037246	-0.18524644	-0.38100633	-0.18332496	0.088940166	0.7325285	-0.15206808	0.8644889	0.35323152	0.7338502	0.23033445	0.9996467	-0.28048477	0.54258096	0.5007456	0.39341155	-0.19256455	-0.94480175	-0.66781324	0.06305158	0.21103835	0.9996413	0.6766484	0.78408176	-0.005005737	0.097540304	0.9999249	-0.47223112	0.17562261	-0.03284156	0.10214673	-0.24240102	-0.50009316	-0.16043088	0.950034	0.24153017	0.996758	-0.12354656	-0.8026401	-0.15457024	-0.4573629	-0.30835304	0.2953786	-0.57531464	0.56244314	-0.115032576	0.00670155	-0.13210717	0.80022156	0.46469206	0.4141001	0.7391715	0.21511701	-0.50135195	-0.058996614	-0.53551406	0.5632282	-0.75677186	-0.14451887	0.34930986	0.15036644	0.09288411	-0.29467285	0.04197508	0.25195	-0.81223565	-0.3755347	-0.31391087	-0.39997742	0.50782835	0.29937875	0.051817227	-0.35631546	0.8511226	0.20304625	-0.08053757	0.7002435	0.6352211	-0.2436047	0.8990332	-0.99635285	0.55140316	0.443486	0.6761295	0.3046055	-0.27457976	0.03513618	0.9959836	0.010724258	-0.31685904	0.47888628	0.15341714	0.73787457	0.31643522	-0.17565306	-0.111637995	-0.1568044	-0.42638537	-0.55180556	-0.18540703	0.15459293	-0.1318863	0.7054096	0.736263	0.004417432	0.9992885	0.0391515	0.010706168	-0.4056309	0.34154406	-0.7839275	-0.34521472	-0.0664079	0.15407816	-0.37974632	-0.5449662	-0.72597533	0.18302134	0.17150709	0.91858095	-0.54265046	-0.11403516	0.11142858	-0.3848929	-0.53768957	-0.24292685	0.36958057	0.50914085	0.88070345	0.6753128	-0.4726241	0.3974973	0.51464933	0.44001016	0.35587263	-0.5483772	-0.5227611	0.36676514	-0.26070347	0.1990124	0.56615794	0.3754902	0.29655844	0.16340315	0.3701839	-0.5169478	0.98732924	-0.30533692	-0.94938105	-0.32462293	0.9986334	-0.3875618	0.14743097	-0.97815216	0.054868344	0.7350069	0.6510871	0.38615233	-0.7209228	0.12729903	0.40470606	0.8739519	-0.56020755	-0.48950094	-0.3376283	-0.18666288	-0.34728488	-0.41618747	-0.9999461	0.9841549	-0.9970796	0.060566213	0.035168514	-0.23504248	0.20543924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97	1	CNc1ccc(C=Cc2ccc(OCCOCCOCCF)nc2)cc1	-0.3847291	-0.32010043	0.38483202	-0.5483495	0.4430453	-0.12861435	0.16352752	-0.06318558	-0.39181244	-0.688292	-0.22007145	-0.100909404	0.2109738	0.29796293	0.22002952	-0.03256152	0.060642365	-0.45795006	0.42921525	0.15240379	0.17770915	0.30684167	-0.2983104	0.15760587	-0.35423148	-0.27817154	0.37323338	-0.2419035	-0.20403634	-0.25324187	-0.5512335	-0.5483458	0.31123674	-0.5586677	0.396959	0.50176424	-0.8642903	0.648143	0.9986169	-0.6840625	0.7674687	0.057883512	-0.45543507	-0.7557523	-0.44391394	0.116868824	-0.019690221	-0.24928232	0.82533467	0.46044987	0.36320698	-0.07076242	0.23357058	-0.8474495	0.09298717	-0.32325	0.8015052	0.11752511	-0.7738624	-0.4448756	-0.46133497	-0.2433724	0.35250846	-0.025989095	-0.46479726	-0.25357625	-0.47114927	-0.41889337	0.048728812	0.69807523	-0.85403913	-0.8715724	0.16576792	-0.5856978	0.55792475	-0.13328281	0.43383074	-0.009530588	-0.10045637	-0.9990558	0.21921574	-0.27437016	-0.8746449	-0.3019739	0.09266994	-0.90463984	-0.26364204	0.6700208	0.53937936	-0.105458006	0.086493455	-0.6821008	0.09769855	0.17393011	0.9951345	-0.06289319	0.43700254	0.02984829	0.87464535	-0.17355517	0.0999024	0.28855345	-0.77176124	0.99503636	-0.99615234	-0.70480347	-0.307355	-0.61721677	-0.875312	0.27351886	0.29027513	-0.21801405	0.52466077	0.61864656	-0.02251749	-0.23863003	-0.4954097	0.62168765	0.9476364	0.833437	0.51784766	-0.20992045	0.4792931	0.15966618	-0.22784553	0.27666193	-0.5719771	-0.025793348	0.08816512	0.99948925	-0.51876336	0.33200338	0.31985712	0.0429646	0.30155492	-0.9607214	-0.2811552	0.678664	-0.008081133	-0.21545948	-0.9997127	0.25259244	0.78122765	-0.5164007	0.5318588	0.900021	-0.45246822	0.3303601	-0.97407216	0.3119506	0.5488468	-0.6007293	-0.0716633	-0.21619682	-0.43940654	-0.17990853	-0.011936186	-0.33708608	0.07150404	-0.077867925	-0.60375947	0.1747175	0.15490022	0.33248213	-0.19253434	-0.14601712	-0.64015037	-0.10385146	0.17239837	0.04976688	0.32986915	0.45827296	0.3821892	-0.53369915	-0.57625866	-0.7245742	0.08667532	-0.46287805	-0.5895383	-0.49435082	-0.40498298	-0.15500921	-0.027278615	0.87131727	0.3504493	0.32390523	0.5931336	-0.33209088	0.7510929	0.66546863	0.06718527	0.34608123	-0.44049326	-0.17481624	0.72042596	0.64951086	-0.25726506	-0.7408705	0.65299445	-0.27629182	0.5746425	-0.7278115	-0.024572132	0.7259916	0.032995798	0.61050284	-0.22967617	-0.868506	0.1120817	-0.99991894	0.2294677	0.072979145	-0.007899507	0.06925079	-0.1234044	0.32529745	-0.5595023	0.75085413	0.6039662	0.6063172	-0.448643	0.6237023	-0.45933944	0.5371412	-0.94200027	0.17431515	0.051786054	0.26425081	0.08402396	0.671529	-0.4500606	0.029515427	-0.44344229	0.09993273	0.020560954	0.09153709	-0.6321835	-0.8393905	0.6884407	0.7595351	0.81555295	-0.04229802	-0.0693069	0.40890023	-0.15828349	-0.47239667	0.66150457	0.07942605	0.118373066	0.6476041	0.2258129	-0.9697476	0.24733093	0.19863594	0.4908542	0.6803055	0.397154	0.26348934	0.0607165	0.47551414	-0.40009668	0.46801752	-0.16173255	0.15807952	0.42734665	-0.36724958	-0.5553693	-0.1627949	-0.23954108	0.35136044	0.12932059	0.9991578	-0.22748844	-0.5345218	-0.611487	-0.4984095	0.5840915	0.22858225	-0.61454743	0.6839922	0.025544936	0.99161255	0.06630457	0.4013833	-0.09368704	0.26343063	0.21328895	0.7572678	-0.008136216	0.23919564	-0.005410107	0.8253715	0.4108518	-0.3227498	-0.1403725	0.76383936	0.999806	-0.98970157	0.8609416	0.32524335	-0.08140613	-0.50795364	0.29818466	0.4103019	0.3707892	-0.64642525	-0.9890642	0.89756554	0.67485726	0.5181356	0.08787757	0.7988412	-0.066681325	-0.53569543	0.8570415	0.67993903	-0.17517658	0.4616394	-0.96114904	0.23993416	0.2990095	0.12866129	-0.3804941	-0.24027264	0.41005847	-0.29072803	0.5290514	-0.020017263	-0.2851474	-0.20442045	-0.9010602	0.28904587	-0.5043818	0.29961827	0.6418146	0.49189308	0.43726233	-0.47514486	-0.1149128	0.26849687	-0.33174297	0.2923467	-0.6708636	0.7057564	-0.22597426	-0.036479555	0.7920575	-0.5575117	-0.06804011	-0.74898124	-0.90829	0.76947814	-0.43809342	0.28586018	-0.25460097	0.4904806	0.6144883	0.99959874	0.28880066	0.25867796	-0.6301365	-0.028058207	0.61303294	-0.23171219	-0.581182	-0.20613125	-0.2582367	-0.7117987	-0.44833055	0.6138427	0.6061095	0.39827955	-0.665707	-0.59006405	0.4174156	0.9937155	-0.5100862	-0.2806463	-0.046428185	-0.1047442	0.5751412	0.16862142	0.53150433	0.2614434	-0.017927378	0.316765	0.055952936	-0.09080314	-0.5669526	0.11528199	0.055129312	0.6262904	-0.08609584	-0.06007009	-0.1319421	-0.7191062	0.23939793	-0.32084423	-0.73666954	-0.24636993	0.55533314	-0.49500066	0.20207906	0.3228873	0.43421167	-0.7029446	0.7715239	-0.7078608	0.39709574	0.53473544	-0.70232487	-0.42665744	-0.35138297	-0.05407502	-0.074906066	-0.96966237	0.99993074	0.6015319	-0.9507899	0.43092257	0.9977064	-0.3731642	0.6300122	-0.9990607	0.7876388	-0.95179313	-0.8761698	0.084109984	-0.57024103	0.050579555	-0.53066385	-0.24217416	-0.35949993	-0.36062202	0.42908534	0.28981104	0.46175274	0.3958093	-0.9998323	0.9925755	0.24227977	-0.15759954	-0.000829725	-0.55855036	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114	1	Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1	-0.8396764	0.041937087	-0.19151129	-0.42179206	0.07375797	-0.33897713	0.630989	-0.5688019	0.80522656	0.7500808	0.26378614	-0.073860385	-0.73953164	0.25715616	0.5899499	0.82208836	-0.5514606	0.48168883	-0.6565596	-0.1110436	0.75789636	0.24478032	0.27476555	-0.16766395	0.26674443	-0.35762796	0.5667128	0.32699513	0.42626646	0.17294855	0.37445682	0.06462509	-0.11332174	-0.78366196	0.47654778	-0.7127744	-0.79899204	-0.39501214	0.99961954	0.8754254	0.9643958	0.013272378	-0.16211954	0.09726493	0.12554277	0.82753885	0.24045648	-0.52282715	-0.965426	-0.38596493	0.45736817	0.8862018	0.9699508	0.15861914	0.74971527	-0.77265906	0.81153494	-0.94214034	0.5187878	-0.7394962	0.6534339	-0.38120413	0.6123817	0.5483828	0.48049057	-0.33912396	0.3138189	-0.7531393	0.33868125	-0.77088547	-0.99784946	-0.991546	0.48564932	-0.41126537	-0.5101535	0.7074132	-0.34642255	0.35011968	0.7505399	-0.99941874	-0.9915701	-0.59120435	-0.9787438	-0.6414913	0.15675548	-0.08755184	0.27473393	0.5945475	0.25387758	-0.39620554	-0.19198184	0.2180427	-0.18447427	0.17397517	0.99981403	-0.5956356	-0.96608377	0.66049373	-0.6287743	0.63991165	0.11103105	0.62930053	0.10250163	0.96901405	-0.9997342	-0.35115764	-0.82978326	-0.6384532	-1	-0.78097254	-0.4945965	-0.40768474	-0.6150527	-0.30484182	0.0568338	0.08005687	-0.18108128	0.17136379	0.5509141	0.71517515	0.48131523	-0.46831477	-0.70027244	-0.35663372	0.20782751	0.03852949	-0.88780445	-0.15455091	0.45103106	0.98440415	-0.5409731	-0.6495577	0.5268091	0.62723696	0.17809857	0.024960037	-0.14717653	0.73474574	-0.4258306	0.77129734	-0.99998915	0.4247508	-0.959476	-0.85664636	0.602348	0.07480017	0.062948555	-0.59883493	-0.99924445	0.31034315	-0.46466485	0.81353337	0.33485785	-0.17724973	0.6594738	0.290922	-0.46435845	-0.9951334	0.34044054	0.9100784	0.47356042	0.25600553	0.7918012	0.19493967	-0.079174384	0.14274126	-0.64709824	-0.46696112	0.56528693	-0.39036846	-0.46427596	-0.25863573	0.001936251	-0.7043789	0.34509337	0.54019207	0.16853596	-0.33278695	0.6284668	-0.11660912	0.3945971	-0.99984753	-0.002163794	0.3294346	0.95018995	-0.45792922	-0.64821976	0.5024888	0.2312144	0.5458787	0.8771906	-0.45064402	0.3134055	0.020589681	-0.7191642	-0.4302352	0.514258	0.9795772	-0.596486	-0.4513944	0.6274966	-0.34492373	-0.5336866	0.4474508	-0.010049722	0.32829866	-0.13684084	0.24027067	0.34570834	-0.9996627	-0.2077828	-0.066315144	-0.023316408	-0.31879252	0.2412292	-0.18447173	-0.03536118	0.37596223	-0.15675929	-0.17104498	-0.4473104	-0.18451574	0.20109896	0.49511006	0.9999993	0.1379398	0.35339502	0.14089587	-0.17613623	-0.5869066	0.28201893	-0.68884724	-0.12326404	0.6930735	-0.26212585	-0.2355132	-0.04554331	0.10068453	-0.38821214	0.175149	-0.9972784	-0.537484	0.7936455	-0.7963044	-0.5897712	-0.18865226	-0.22874308	0.73625803	0.2582633	-0.32090434	0.6959736	-0.83755326	-0.4429698	0.60277784	0.13918436	-0.12591054	-0.071613304	0.28713286	-0.42750937	-0.24344464	-0.31064403	0.5829706	0.45539355	-0.011114723	0.5096313	0.6525196	-0.47335383	-0.044604372	-0.7179762	0.3330463	-0.44083422	0.9966851	-0.36208215	-0.20340513	-0.08222914	0.8836557	-0.13412207	0.65599877	0.5988495	0.283847	-0.45472848	0.80422574	-0.6080507	-0.12234352	0.5903752	-0.34800878	-0.65584433	-0.99863577	-0.9999741	0.5297206	0.57619065	-0.8432179	-0.13081531	-0.15057424	0.34694678	0.3864436	0.9999874	0.21633407	-0.07532626	0.23195808	-0.2020267	-0.7900252	-0.88598454	-0.11154098	0.92488307	0.06229107	-0.9994859	0.58440536	0.8480708	-0.076094694	-0.27817637	0.62167525	0.022279106	-0.70573676	-0.9805474	-0.6746565	0.10498733	0.48932177	1	-0.11138935	-0.21544243	-0.20764728	-0.041441225	0.39426947	-0.7927971	-0.5815822	0.46353707	-0.20562543	0.41763076	-0.11042566	0.61494577	-0.09721736	-0.008051656	-0.32125697	-0.31989825	-0.920168	-0.12767036	-0.047370594	-0.26039186	-0.21068855	0.08876646	-0.6784628	-0.7863313	-0.3234169	-0.18875818	0.10219186	0.52568233	-0.4306087	0.35355824	-0.99373174	0.46237817	-0.44059142	0.16515861	0.18472582	-0.33933815	0.6667426	-0.033153575	0.9966266	-0.5735482	0.89954484	-0.38135436	0.38767603	0.73876375	0.5439833	0.16478391	-0.9039171	-0.6027828	-0.15517639	0.21004826	0.6898975	0.10275919	-0.35562086	-0.0476005	-0.91162527	-0.34459522	-0.987677	0.096991435	0.5710249	0.1033292	0.056219846	0.50626117	0.33254814	0.18823056	0.160262	0.25853997	0.024849787	0.54733014	0.35164502	0.27968478	0.309986	-0.759988	-0.55784565	-0.45279986	0.33521783	0.18015249	-0.42751852	0.6518807	0.7025401	-0.8303491	0.9231872	0.9996149	-0.61609805	0.42928153	-0.47443077	-0.57161146	-0.34259135	0.17066331	-0.8909308	-0.5923468	0.5352773	-0.26380134	-0.81758213	0.16415496	-0.60077345	0.11824635	-0.5043014	-1	0.7681459	-0.98728687	-0.6369237	0.99881536	-0.36245173	-0.4670963	0.9926396	-0.4277272	0.06692909	-0.6687783	0.23055112	-0.30375475	0.37844366	0.17825633	-0.39536124	-0.11471654	-0.44588917	0.34950376	-0.26168603	0.04392642	-0.16256692	-0.99936897	0.99999905	0.9089713	-0.76040554	-0.2792647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115	2	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	0.7804331	0.1551373	0.37887013	-0.19848317	0.71381706	0.8606152	0.62047976	-0.5139673	0.059551965	-0.21010701	0.66533905	0.19044487	0.60365534	0.39570728	0.6477557	0.81861293	-0.65063614	-0.13111179	0.5701083	-0.75483394	-0.054013968	0.58688134	0.5980405	-0.09833927	0.18035036	0.26874533	-0.17410883	-0.60870165	-0.06621687	0.25207692	-0.6122582	-0.774269	0.2638504	-0.34010652	0.39427236	-0.68277806	0.58340955	-0.57324785	0.99985254	0.75390875	0.99614054	0.2514713	-0.19383189	-0.65041673	0.44714278	0.99801975	0.5077073	-0.037071347	-0.2719171	0.25355098	-0.36000484	-0.39550892	-0.044633426	0.43870205	0.7758441	-0.0942015	0.035698786	-0.9981009	0.30570805	-0.033275813	-0.5701768	0.21720234	-0.725358	-0.38152862	0.40166548	0.48198998	0.014580582	-0.5932869	0.26526728	0.6397994	-0.98816025	-0.98915535	0.12404445	0.18978871	-0.59110326	0.7283912	-0.47420716	0.545266	0.008956468	-0.99298453	-0.9487515	0.029875182	-0.9795211	-0.6315664	-0.4231724	-0.36636686	0.015781838	-0.7137278	-0.21627732	-0.29062817	-0.3020061	0.29343224	0.56224936	0.31401825	0.9999306	-0.33563262	-0.9170111	-0.30597886	0.665993	-0.6598018	0.1943018	0.49572024	0.3387108	0.509073	-0.9999884	-0.7434811	-0.27813312	0.18297878	-0.9999995	0.021145796	-0.71528643	-0.47908103	-0.78540915	-0.21223363	0.86131114	-0.18898177	0.43063274	0.3839308	-0.9556739	0.14884783	0.097200625	-0.56338865	-0.5731172	-0.030149166	0.25622594	-0.36961555	-0.53074294	-0.02193481	0.22620703	0.9634473	0.46433124	-0.2626327	-0.11241962	0.69229525	-0.42897102	0.95533425	0.31877488	0.016109705	-0.193156	-0.055782862	-0.9999999	-0.05594845	-0.9879551	0.17926997	0.015195256	0.13806185	0.71511924	0.6144926	-0.9999974	-0.60296386	0.3240122	-0.9256358	0.36551166	-0.1417579	0.32995483	0.21660818	-0.085379	-0.99997413	-0.8891147	0.39376953	0.98156923	-0.36964756	0.775289	0.037099022	-0.15164508	-0.06562818	-0.715284	0.23802003	-0.317018	0.23600185	-0.5253491	0.6811157	0.37530735	-0.028117964	0.27577335	0.30459574	0.68893677	-0.07741925	-0.50039786	-0.026715092	0.113134235	-0.9995759	0.12330356	-0.06242949	0.99949086	0.30537686	-0.6284924	0.012964204	0.5315832	-0.36532772	0.8857298	0.50356466	-0.71159816	-0.40923995	-0.84048843	0.041443035	-0.36039126	0.50210357	-0.88326406	-0.77826756	0.25727642	0.84463316	0.39215243	-0.3722742	0.18898502	-0.4334638	0.47702453	0.76736695	-0.20569038	-0.99986905	-0.79073304	-0.040521447	0.21982174	-0.07471506	0.12816401	-0.04230838	0.5678591	0.76777697	-0.691919	-0.4059524	0.17816938	-0.4323624	0.578685	0.17240311	0.99999994	-0.43980744	0.05389644	-0.67171866	-0.25868282	-0.4436393	-0.38527024	-0.19624467	0.08886421	-0.63908756	-0.47466683	-0.44237724	-0.76418227	-0.4894338	-0.38284135	0.012100628	0.82900053	0.40829137	-0.48413736	0.032911647	-0.72082067	-0.12352631	-0.1291506	0.89552456	-0.51623315	-0.58809745	-0.7983301	0.35661486	-0.042054452	0.13927978	-0.6956235	-0.8976189	0.048102986	-0.048299693	0.1395676	0.774166	-0.68599796	0.64245075	0.4926927	0.2349912	-0.20710054	-0.48364612	-0.25649747	-0.40347236	-0.9965309	0.8266487	-0.2993809	0.999937	0.8044244	-0.20345205	0.5371195	-0.5143955	0.6227751	0.6759707	0.37306553	-0.32159036	0.088238105	-0.9708755	0.330581	-0.7119104	-0.68880856	-0.38490215	-0.76282257	-0.9576228	-0.9992604	-0.3384293	0.11508169	-0.9993415	0.46826684	0.6814261	0.113102354	0.123635165	1	0.68450636	-0.2664311	-0.6364297	0.6229417	0.62149125	-0.20532024	0.7333724	-0.3411729	-0.9332159	-0.9999593	-0.32171363	0.35743254	-0.10340833	-0.50949854	-0.29060036	0.64790255	-0.25597858	-0.9577152	0.14908329	0.17855723	-0.4079042	0.9999999	0.6476871	0.2610746	0.6088857	-0.26843607	0.11633772	0.27577573	-0.004645219	-0.7667773	0.9644927	-0.38853014	-0.4041208	0.38035077	-0.0426009	0.08976354	-0.31594333	0.44407135	-0.9357643	0.66314286	0.24402584	-0.47025698	-0.67952055	0.13611045	0.72544	0.17828463	-0.8350817	-0.3588795	-0.47257674	0.19864288	-0.057180736	0.6998756	-0.9991947	0.99786115	-0.5089781	0.14097427	-0.46316883	0.1598027	0.102377005	0.10999945	0.99904877	-0.41125846	0.94457144	0.49245238	0.50524545	-0.007963678	-0.7170954	-0.6249022	-0.48003623	-0.11969803	0.8370491	0.16980489	0.07503685	0.4275512	-0.20168795	0.92317814	-0.9813158	-0.17519318	-1	0.6875164	-0.05303003	-0.42239517	-0.69675493	0.44101357	-0.056827165	-0.7524601	-0.5275587	0.46041623	-0.16902417	-0.3429569	-0.70426834	-0.32843593	-0.3722491	0.397744	-0.13558155	0.31993586	0.63851714	-0.5336601	0.47811115	-0.01671881	0.7043132	0.16622317	0.8244066	0.9998397	-0.16477405	-0.66468203	-0.6012155	0.1012538	0.12424946	0.8060911	-0.79419094	-0.33944553	-0.310349	-0.94236606	0.46842036	-0.667629	-0.34796593	0.4619814	-0.32352796	-0.9999864	-0.4438537	-0.9616141	0.31607637	0.99662757	-0.45256764	-0.6092479	-0.010291197	-0.746222	-0.2965051	-0.56976384	0.34878457	0.6014405	0.12327157	0.74649376	0.1676772	0.2483165	-0.5630327	0.26537466	-0.51488143	-0.41506666	-0.61903995	-0.74699026	1	0.9891964	0.10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128	1	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1	0.44909704	0.39214876	0.535294	0.41264525	-0.21682812	0.013320642	0.16335754	-0.6356939	0.23226407	-0.69183964	0.5302469	-0.7457821	0.1451036	0.6265675	0.66033715	-0.4027018	-0.21045113	-0.6803706	0.48865265	-0.5196265	0.40635663	0.2321222	0.4275386	0.21664275	-0.08760767	0.048915137	-0.21317762	0.6693884	0.398073	-0.10881265	0.022841088	-0.3734186	-0.20809463	0.43955472	-0.0031552	-0.2945604	-0.18847123	0.036384966	0.989965	-0.013425549	0.81745094	-0.11462633	-0.5589967	-0.6541076	-0.44968247	-0.9315892	-0.4191356	0.08044242	-0.47256494	0.09384774	0.041879464	0.8146791	0.4712522	0.06977986	-0.4320943	-0.16008659	-0.19423448	0.19298835	-0.17086212	0.2636557	-0.2693154	0.14102402	-0.3055459	0.012427114	0.19595361	-0.099238805	-0.12628467	-0.8140043	0.28555313	-0.5341495	-0.9441844	-0.9999674	0.40328845	-0.06372101	-0.1324647	0.55594647	0.23766406	0.38479048	0.2671317	-0.99785537	-0.6976054	0.69904995	-0.9412192	-0.6525978	-0.41569307	0.8800204	0.44207424	-0.214799	0.12193628	0.29781455	0.018981792	0.29470974	0.79602426	0.5466459	0.9995853	-0.35049945	-0.9309805	-0.10411762	-0.61224747	0.025537837	-0.42928705	-0.5311749	-0.78581715	0.5217168	-0.8968248	-0.9110884	-0.019232681	0.01525877	-0.9999831	0.12652472	0.050506726	-0.15800403	-0.44001058	0.46641067	-0.12833506	0.3436662	0.14845257	-0.18257035	0.99898475	-0.78768986	-0.40647188	0.1420194	0.39953232	-0.3313433	0.57750773	0.59611803	-0.41080427	0.08962366	0.17399213	0.7770364	-0.5890982	-0.5878037	-0.13071504	-0.16675319	0.012458848	0.9286386	-0.27096796	0.6451912	-0.3195188	0.111417174	-0.99998623	-0.50581163	0.5313307	-0.31652224	0.6052883	0.37964255	0.23703703	-0.22441927	0.12868373	0.117776416	-0.058892954	-0.078882754	-0.45551476	-0.7364032	-0.113219015	0.74123275	0.121176	0.9338074	-0.594022	-0.7192661	-0.97777283	0.62403405	0.23743014	-0.14586498	-0.02312337	0.68645024	-0.78599524	0.37483144	0.30559656	-0.038746864	-0.5126804	0.24455895	-0.21013114	0.5320332	-0.78471994	0.44838172	0.059037104	0.65589935	-0.26609007	0.050022826	0.4380644	-0.99450666	-0.48046118	-0.22325641	0.8237244	0.017064104	0.13293166	0.5576553	-0.1521126	-0.19469325	0.80337906	0.8042598	0.28021294	-0.23495427	0.19024718	-0.32635516	0.114222385	0.6323543	-0.27316824	-0.6554109	-0.79796416	0.12670182	-0.6131714	-0.27959824	-0.53443366	-0.21875276	0.48970473	0.6878043	0.57700986	-0.9993928	-0.35994056	-0.41044855	0.2182706	0.14199774	-0.09794948	0.40745336	-0.24281192	0.2714807	-0.28578743	0.09753996	-0.4983718	0.000498524	0.9526804	-0.14273018	0.9999998	0.5480314	-0.0609255	0.24205035	0.26755238	-0.24862503	-0.61177844	-0.5454531	-0.09428551	0.49138954	-0.4896834	0.21993831	-0.8642924	0.3817499	-0.07177873	-0.23766717	0.6358354	-0.052531466	-0.16423526	0.43898627	-0.88480616	0.48722625	0.30139244	0.0255663	0.28697708	-0.15186317	-0.31170765	-0.9727775	-0.37439203	-0.24509588	0.31118765	0.19235702	0.6887512	-0.23590182	-0.30651924	0.68284744	0.44981876	0.04200476	-0.2571392	0.22354555	-0.15144008	-0.05955942	-0.29314715	-0.250147	-0.9543764	0.48563415	-0.27077878	0.9988215	0.7223274	-0.40978545	-0.46077833	0.75737286	0.5108081	0.47736794	0.35412562	-0.62158835	0.07578893	0.9985904	0.41060016	-0.5063187	-0.23341726	-0.3566602	-0.43317822	-0.9292374	-0.9903176	-0.42795753	0.14809099	0.99522376	-0.3645577	0.6628252	0.16791591	-0.080447204	0.9999904	0.48198053	-0.37851888	0.17309855	-0.32276094	0.63090736	0.13483824	0.21799251	0.60194916	0.8167483	0.20099948	-0.5563756	-0.51331913	-0.15526749	0.31190792	0.34064525	0.53971034	-0.92157066	-0.55351967	-0.6175786	0.37064755	-0.18340904	0.99966854	0.10143454	0.7277852	-0.3341513	0.070348196	0.16145404	-0.05851389	-0.04585774	-0.9093136	0.9608275	-0.7149978	-0.25178567	-0.56535405	-0.80439913	-0.5748565	0.3123477	-0.18443865	-0.99453837	-0.742574	-0.1325333	-0.43576044	-0.03299511	0.015799338	-0.55525285	0.27970275	-0.38478684	0.4836327	0.31337595	0.5245493	-0.24030477	0.005884949	0.28078184	-0.9256309	-0.041486435	-0.19690493	0.298949	-0.07046084	-0.3028948	-0.00411182	0.99922866	-0.05491772	0.9791986	-0.8447874	0.26135546	0.69071025	0.6554507	0.6917251	0.5127327	0.35312313	0.13695578	0.53821427	-0.023076551	-0.04964572	-0.11122812	0.49811754	-0.53163654	-0.00419467	0.9925681	-0.16542287	0.3063321	0.31584257	0.32132265	-0.2791345	-0.39893547	-0.3272472	0.06296267	-0.39265501	0.046109088	0.041912597	-0.3371354	-0.3630144	0.13940047	0.47943646	0.001075789	0.32093897	0.3872678	-0.4775195	-0.6294822	-0.121794604	0.88227123	0.60266554	0.74828726	0.9316542	-0.47851056	-0.37333536	0.24826764	-0.10147543	0.2445101	-0.46694532	-0.64098746	0.19933009	-0.3176585	0.21586233	0.17737137	0.3583955	0.5027017	0.14652836	-0.15622208	-0.91087234	0.19479048	-0.9007478	0.09330141	0.999263	-0.18227528	-0.019105246	-0.82294095	-0.34868124	-0.006789289	0.23078173	0.21302092	-0.10383868	-0.009684579	-0.71272767	0.93058395	0.13695979	-0.59167576	-0.21500276	0.4171309	0.46759123	-0.30725545	-0.99997747	0.9989539	-0.95485735	-0.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129	2	Cn1c(=O)c2c(ncn2C)n(C)c1=O	0.76048815	-0.4230464	0.5199607	0.33514038	-0.14508283	-0.36434215	-0.31117308	-0.60933053	-0.54871666	0.7417735	0.19454978	-0.5025277	0.3078465	-0.2662613	-0.06596152	0.64318794	0.35030484	-0.6737586	0.05495844	0.075046435	-0.02820635	-0.12030837	0.033007033	-0.32572445	-0.8351757	-0.37416944	0.70378584	0.11930925	-0.5985667	-0.4655336	0.2529969	0.038099587	0.19371411	0.5533383	-0.07513225	0.36179832	-0.28013548	-0.4646681	0.91999036	-0.120105565	-0.9955628	-0.55361325	0.28752795	-0.56429315	0.13375652	-0.9887916	0.009545443	0.26364812	0.8015498	0.521055	-0.8364069	0.18893647	-0.5179363	-0.16186899	-0.65491825	-0.34194508	-0.6158028	0.6728435	-0.85570073	-0.0895168	0.08404328	0.5369234	0.107350685	0.44613594	0.5900522	-0.07440552	-0.34541243	0.0374456	0.12125178	0.7510986	-0.49795276	-0.9999851	0.1529198	-0.47512567	-0.70185095	0.75709426	-0.26809162	0.019430162	0.5717437	-0.999857	0.49751785	-0.36466536	-0.97058666	-0.45417923	-0.6700512	0.9686387	0.7284129	-0.64495265	0.38140583	0.60721296	0.17704251	-0.7098183	0.14492194	0.08315377	0.99303675	-0.30591646	-0.90134776	0.059675977	0.10956089	0.089223735	-0.505156	0.2243522	-0.5574314	-0.7571296	0.36594835	-0.97803414	-0.59761226	0.7522121	0.9962913	0.28870445	-0.4324739	0.5520787	0.32068697	-0.025802065	-0.119572505	0.26743412	0.2200396	-0.06742916	0.99978095	-0.634322	0.73607624	-0.6064161	0.5112684	0.15428522	0.24208759	0.44880614	0.42369434	-0.5880487	-0.30574915	0.18093877	-0.5078944	-0.24679099	-0.19832629	0.14757971	0.058207348	-0.8942206	-0.7257016	-0.5189199	-0.40577826	-0.8583285	-0.99957603	-0.23256862	0.7906762	0.6411595	-0.7027242	0.23367324	0.6461182	0.640943	0.9267384	0.1946711	0.45957473	-0.8103735	-0.81543607	-0.69518685	-0.64890337	-0.04043071	0.4740467	0.9955106	0.29284832	-0.95566064	-0.99125004	-0.071315676	-0.39263567	-0.642663	-0.42191988	0.27392697	0.014038914	0.729453	0.29687443	-0.51623595	-0.889058	0.78618085	-0.5064525	-0.12003244	-0.51506454	0.91260296	-0.6107193	0.5197242	-0.07356343	-0.47532707	-0.22631481	-0.9920694	0.46343848	-0.21698874	-0.37030074	0.0625115	0.13004997	0.4771399	-0.023368161	-0.632887	0.74723536	0.14523688	-0.24454314	0.19722545	0.6577706	-0.13469073	0.12968275	-0.82452816	-0.29913566	-0.49131367	-0.69759804	-0.04538296	0.008798513	-0.8140516	-0.1851749	0.88718694	-0.23701875	0.8343308	0.42501017	-0.9948667	0.2711444	0.15317811	-0.5100948	0.8127113	0.2663772	-0.29619467	0.6502395	-0.33142722	-0.14596014	0.31822222	-0.4174746	-0.1684535	0.8586727	-0.048122242	-0.9526457	0.6786571	-0.22243448	0.23558865	-0.38509452	0.55435485	-0.03334009	-0.103790104	0.1551201	-0.22391103	-0.5809524	-0.6037258	-0.09678455	-0.40220922	-0.27334592	0.31117722	0.8185148	-0.4076025	0.49114752	0.019645613	-0.17259702	-0.22004156	-0.58645815	0.055410724	0.1405495	-0.44241858	0.002628129	-0.98199767	0.2606222	-0.5995953	0.4905201	0.06466691	-0.24793549	0.7871105	0.3552097	0.48267862	0.49948618	0.12936701	0.5332136	0.36254084	-0.16076665	-0.079037875	-0.052407656	0.21991184	0.7237153	0.13099827	0.7813401	0.4408373	0.27721214	-0.20326637	0.21896747	-0.29550752	0.6557022	-0.55875146	-0.6871071	-0.70098615	0.36030513	0.9996573	-0.47892183	-0.37196177	0.30366457	-0.15825157	-0.33148223	-0.06775631	0.95874125	-0.10926661	0.09946789	0.999452	0.68118334	0.9572739	0.66165435	-0.5369212	0.999982	0.6408393	0.5479517	-0.3632619	0.19435921	0.4989321	-0.13057637	0.76042575	0.78028005	0.7342784	0.96566606	-0.16775139	-0.86320853	0.75349456	-0.5258171	-0.6444419	0.76506525	0.082809635	-0.6865644	-0.1875482	0.85963345	-0.33752295	-0.9999856	0.27313995	0.3238446	0.23681724	0.20669606	0.8644431	0.75102586	0.118197136	-0.38031977	0.73467624	-0.5003881	0.09444117	0.38678858	-0.2815416	0.59312207	0.40154007	-0.17219552	-0.9922856	-0.29500875	0.10732882	-0.5958358	0.3583255	0.384801	-0.41764674	0.13170214	-0.005437901	0.25608823	0.08431869	-0.4047739	-0.254895	0.36875603	0.7411071	-0.98930174	-0.40721714	0.7764853	0.43454185	0.55537343	-0.06959903	-0.4199331	0.9967777	-0.22093213	-0.003959816	0.28182188	0.1234572	-0.4919095	-0.115820244	0.88168484	0.28061956	0.20508179	0.7336878	0.6884915	-0.009509057	0.5204444	-0.5739704	0.7300702	-0.12454542	-0.5586217	0.9996309	-0.12572335	-0.34996897	0.19349222	0.15208532	-0.84220624	-0.6894387	-0.73084193	-0.746168	-0.18952252	0.50822026	-0.004043263	-0.7209044	0.4424647	0.90511733	-0.1233493	0.06171508	0.5405973	-0.29436952	0.13616186	-0.5516557	0.38105613	0.54383135	0.94298726	0.92911494	0.7836028	-0.7155439	0.2432472	-0.17158666	0.21944396	0.2819349	-0.19423914	-0.46781644	-0.23241194	0.32320887	0.07815074	0.20372938	0.008521949	0.041480146	0.3939768	0.9203078	0.9999998	0.4155562	-0.98853403	0.05339248	0.9995845	0.1760084	0.5577601	-0.99993604	-0.6655739	0.23339657	0.5781563	-0.48578963	-0.59582037	-0.32083303	-0.5355714	0.9865764	-0.16678347	-0.7553916	-0.6578182	-0.32154673	0.20961331	-0.44217423	-0.99998677	0.9363937	-0.9956915	0.26378113	-0.16969313	-0.034017306	-0.20783299	0.7951742	-0.8832121	0.5525786	0.80236477	0.01981904	-0.05926122	-0.11360383	-0.46300688	-0.11672807	-0.119269386	0.499094	-0.48151237	-0.9808731	-0.99998206	0.07006417	-0.27480945	0.003947313	0.48290917	0.6629187	0.59493566	-0.15019384	0.22478864	-0.16670167	0.23024482	0.701908	-0.57738733	0.9753472	0.7192343	0.8745371	-0.13011982	-0.29400998	0.2376957	0.70173407	0.3496836	0.5770642	0.4155232	0.8989698	0.64181954	0.42859417	0.2566628	-0.38929048	0.21473655	0.43247026	0.1878126	0.48819375	-0.13851792	0.5567524	0.044399157	0.03710905	-0.22430184	0.64728373	-0.1217554	0.7424623	0.21633603	0.99968004	0.028389905	-0.21421525	-0.82824063	-0.12226808	-0.39440465	0.44998845	-0.76783687	-0.09274821	-0.6589346	0.024264364	0.5493731	0.7824215
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137	1	Nc1ccn(CC(CO)OCP(=O)(O)O)c(=O)n1	0.08987001	0.21271926	-0.031187044	-0.43056765	-0.4813281	-0.41580778	-0.7522868	-0.29059637	0.55473566	-0.35649127	0.34422672	-0.7322361	-0.001471532	0.35600087	0.6680828	0.62057817	-0.026832432	-0.71969295	0.019611198	-0.30303073	0.5361957	0.42713943	-0.2010371	0.41805106	-0.24423654	-0.5041826	0.20267655	0.6066432	0.1515618	-0.032503005	0.5111071	-0.5369233	0.040803596	-0.43052304	-0.41726398	-0.7168835	-0.38410124	0.081907555	0.98466754	0.6621129	0.8968736	-0.1357081	-0.27069402	-0.146292	-0.009957556	-0.9043342	-0.4956029	-0.345752	-0.58742577	-0.14350443	0.056393754	0.5559818	0.8134403	-0.6404345	-0.19162282	-0.5493391	0.42732677	0.38919932	0.17097671	0.21707506	-0.49861038	0.21008363	-0.35222083	0.3514418	-0.23678015	-0.79172415	0.11297432	-0.5301767	0.02435951	-0.66879994	-0.98555684	-0.9999588	0.15628459	0.24208139	-0.75732964	0.45980638	-0.3684898	-0.11033869	-0.011074202	-0.99960786	-0.930735	-0.01650486	-0.9229617	-0.34051308	0.12686317	0.94216347	0.37048745	0.25679073	0.5606435	0.604788	0.104905285	0.34477407	0.17280135	0.57532775	0.9998867	0.014728486	-0.9780951	0.2230091	-0.2121179	0.56098247	-0.10011746	-0.61436313	-0.7881293	0.7075112	-0.86206007	-0.8845745	-0.6861498	-0.3828498	-0.9999999	0.12676904	0.12513775	0.19608836	-0.61104	0.24366294	0.6217309	0.46986026	-0.21536984	0.13896264	0.9987826	-0.6847363	-0.16544263	-0.05737773	0.29072386	0.07583372	-0.20137975	0.28920084	-0.3795006	0.35103726	0.6038769	0.17024699	0.26668668	-0.6701495	-0.08242038	0.1533521	-0.35359615	0.94110763	-0.64219475	0.13984081	-0.5615749	0.35185724	-0.99949086	0.117450416	-0.26662713	-0.15435115	0.701279	0.841487	0.39596903	-0.57827866	-0.06050606	0.49800158	-0.005412667	-0.44225547	-0.23993188	0.06711368	0.38233876	0.8275183	-0.2261067	0.91833	0.001360244	-0.26753405	-0.9658107	0.29563797	0.25688657	-0.26994073	-0.21511424	0.55345327	-0.74207014	0.6191947	0.4794245	0.21404979	-0.26419684	0.7444115	-0.1443	-0.7191841	-0.251235	0.52494913	-0.10836794	0.7534449	-0.43643406	-0.029364951	0.25322044	-0.9999007	-0.22133778	-0.029965647	0.8923536	0.28625923	0.111999996	0.12939489	0.031493712	0.10327957	0.73571086	0.7513356	0.3701262	-0.16132733	-0.047020517	-0.035554435	0.22396496	0.92899567	-0.7978121	0.19515228	-0.110818125	0.27701184	-0.46698827	-0.20394014	-0.4782483	0.4441392	-0.20687357	0.56393623	-0.10814785	-0.9989762	-0.015761735	0.00574421	-0.7097104	0.47656748	-0.08512762	0.25715366	-0.15577585	0.74387836	0.35534078	-0.24389388	-0.75574386	0.299639	0.81413704	0.07663519	1	0.8256909	-0.4621063	0.43281528	0.48523402	-0.60810614	-0.5376377	-0.3244638	-0.081561856	0.34434006	-0.7630479	-0.45354444	-0.8708202	-0.016229117	-0.5879989	0.17289607	0.6215254	-0.2673822	-0.18970923	0.3989805	-0.77306485	0.5642188	0.18724246	-0.016589087	0.23144388	0.57050294	0.34667224	-0.9985506	-0.24370982	0.062309314	0.22678955	-0.04707269	0.65209436	-0.08240892	-0.44426805	0.41266698	0.29540634	0.053359795	0.16449049	0.36866245	0.21685368	0.22618599	-0.38461733	-0.04273051	-0.94569105	0.20106035	0.45628813	0.99860334	0.501148	0.29244027	0.25137722	0.8917305	0.40437195	0.4052496	0.29207858	0.4751209	0.4695557	0.99785763	-0.43575948	-0.36905503	0.2654958	-0.5603001	-0.23472841	-0.9888076	-0.99959975	-0.6490462	0.8140789	0.99468887	0.6152422	0.4612947	-0.09829591	-0.13348937	0.99796575	0.8054438	-0.13973519	0.42783946	-0.38194084	0.656154	-0.4390501	0.22853087	0.6085107	0.61870015	0.06626985	-0.35571334	0.18285787	-0.16392058	0.35818216	0.6987743	0.25083092	-0.8788531	-0.97595507	-0.5343627	0.5572453	0.017884463	0.9999999	-0.365619	0.73879725	0.084846675	-0.073554404	0.5833194	-0.18311004	-0.28080484	-0.3956909	0.91339284	-0.6511025	0.30511677	0.48861837	-0.68513024	-0.57822	-0.062794015	-0.44558936	-0.9966108	-0.55035263	0.18722562	-0.30009052	-0.24836087	0.26767334	-0.18543276	-0.46739498	-0.028658161	-0.03075111	-0.3058777	0.57841843	-0.7009105	0.1259629	0.15206318	-0.9163362	0.23203924	-0.045386385	0.2003455	-0.069434226	0.137441	-0.21559139	0.9986211	-0.6930453	0.9810291	-0.7711476	0.32103917	0.63187855	0.47476688	0.7354952	0.050750118	-0.2553239	0.14407492	0.5142818	0.14853886	0.4692752	-0.017389504	-0.036123052	-0.46046764	0.3461947	1	-0.49152875	0.18681581	0.3669279	0.6309801	0.07051494	0.020981146	0.6560652	0.021184666	-0.0787513	-0.07452074	0.5158476	-0.5113227	-0.549931	0.36181542	-0.0912486	0.5578816	-0.09988963	0.5204286	-0.060856737	-0.88627607	0.7033881	0.9412748	-0.3203974	0.79551435	0.9862491	-0.5906512	-0.2611212	0.15314789	-0.49999872	0.28592935	-0.49222773	-0.64827436	0.60421336	0.21904355	-0.4984706	0.47370583	-0.031116588	0.11408752	-0.03322746	-0.44438967	-0.99992836	0.38683015	-0.9384916	0.19066615	0.9994788	-0.62711084	-0.40472376	0.42003897	-0.20490415	-0.054886803	-0.7039639	0.24691269	0.40896103	0.23589393	-0.90573484	0.9525611	-0.21236508	-0.49015218	-0.021285022	-0.08562678	0.48436975	-0.00446572	-0.9999633	-0.9844784	-0.94208544	-0.77405196	0.30877787	0.67242396	-0.14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206	1	CNNCc1ccc(C(=O)NC(C)C)cc1	-0.85571826	0.13441509	0.58208716	0.06111062	0.34482786	-0.73823285	0.35062593	-0.63408834	-0.12945491	0.17170739	-0.58411044	-0.11481222	-0.44358072	-0.010114677	0.512852	0.07107832	-0.65624225	-0.4928772	-0.47894454	0.36627916	-0.4148706	-0.7654952	0.6145967	0.54248	-0.17050044	0.51777935	0.3983443	-0.27839503	-0.106804945	0.05651973	0.16473188	-0.08988429	-0.24007656	-0.38682446	-0.23896092	0.4824472	-0.5090297	-0.14503698	0.8990223	-0.2995764	-0.93220997	0.18950216	0.10211562	-0.511281	0.31528506	-0.98791873	-0.3479818	-0.6264093	0.08366318	0.69086945	-0.00410217	-0.54702944	0.29186147	-0.2990466	-0.061790008	0.3970119	0.004995274	0.83946854	0.37602535	-0.5599783	-0.2857073	-0.41137663	0.33621913	-0.46536243	0.42488387	-0.38395676	0.5096004	-0.20591135	-0.52072275	-0.09257572	-0.89537925	-0.9990999	0.8767292	0.1688589	0.7834614	-0.15483728	-0.7866907	-0.09217861	0.14745797	-0.999091	-0.9408464	-0.15004168	-0.9082288	-0.35087928	0.05367131	0.36667636	-0.17064449	-0.11057961	0.20201129	0.20876358	-0.5213484	-0.409858	-0.45728767	-0.23319471	0.982521	-0.3896746	-0.77298045	-0.11764036	0.113478914	-0.02525956	-0.26884228	0.68308294	-0.17535993	0.29160252	0.078097	0.13140897	-0.25806227	-0.2555869	-0.99998844	-0.34637558	0.27232942	0.113298275	-0.37956232	-0.39896467	-0.26161316	0.35831833	-0.24147967	-0.03861634	0.9990808	0.65651196	0.7633254	0.1514503	-0.010486743	-0.45851755	0.60889995	0.61336166	-0.23775607	-0.07353985	-0.62834585	0.99118185	-0.23423909	0.32243392	0.6344801	0.18127759	-0.37952307	-0.89387256	0.37894553	0.84557307	-0.6081579	0.5170801	-0.9980533	0.02368146	0.95790744	0.28475267	0.22683316	-0.056654047	-0.18980207	0.48117542	0.9204727	-0.7126644	0.29532427	0.51982194	0.2567292	-0.20872201	0.5153399	-0.2615056	-0.5761037	0.9929722	0.2863008	0.98164153	-0.98862344	0.41191614	-0.022553915	0.6660101	0.09781068	-0.07787827	0.022341577	-0.059396207	0.008649962	-0.18802838	-0.35907468	-0.3246364	0.6209072	0.104695454	0.00585169	-0.9492617	-0.38453192	-0.44961363	-0.11896276	0.064819634	0.6799351	-0.5190029	-0.18864366	0.18899846	-0.49745005	-0.69269466	-0.07269116	0.1547453	0.7141915	-0.3897345	0.6301479	0.16126783	0.54512745	0.38016084	-0.17249835	0.296982	0.17195733	-0.5468877	0.52319807	-0.30414295	0.15746768	-0.8205697	-0.71273506	0.28178513	0.29609686	0.22623597	-0.47590682	0.21444805	0.39311174	-0.99855983	-0.58205473	-0.60890806	-0.038364917	0.19388716	0.5058253	0.26563874	0.17012437	-0.37843117	0.16342032	0.38948673	0.5148632	-0.5278488	-0.6515132	-0.23549046	-0.92684084	0.19728689	-0.5503978	0.5959563	-0.24269614	-0.01301219	0.017806243	0.37967756	-0.25012228	0.060426217	-0.24980588	-0.5829728	-0.89119136	0.040227693	-0.1285188	-0.05303563	0.77775437	-0.65840375	-0.22189185	-0.3943417	-0.12285843	-0.5263771	0.026785377	-0.36316213	-0.05994935	-0.22450358	-0.6540524	-0.9981924	-0.4360158	0.21168765	0.27837226	0.64102036	-0.05486222	0.24270874	0.1281557	-0.6595971	-0.47234127	-0.54670703	-0.63319266	-0.08916941	-0.29820922	0.22478756	0.5215028	-0.034585174	-0.99093914	0.3208036	-0.49216574	0.9443428	-0.07352265	-0.63909405	-0.26196072	-0.8809876	0.30970055	0.7506696	-0.017997915	0.25835982	0.27226526	0.9996082	0.029388566	-0.49492997	0.3556409	-0.15946896	0.016281378	-0.9750551	-0.99321496	0.28905022	0.17305264	0.9985719	0.14793557	0.77703965	0.51261055	0.007203208	0.9978969	-0.63445497	0.5914128	0.2158074	-0.21714103	-0.6896564	0.55122757	-0.17555514	0.4941815	-0.26759312	0.89696294	-0.25555256	0.34597066	0.13577554	-0.6482827	0.25131732	0.3847392	-0.26368332	0.6936735	-0.29096317	0.123119086	0.074566774	0.9997944	0.071758136	-0.29922906	-0.009301927	0.7489815	0.19288127	-0.16356222	-0.10799541	0.29881388	-0.7015877	0.50588363	0.050487	-0.39554802	0.52597725	0.03367158	-0.5136855	0.57428145	-0.87802666	-0.44749427	-0.10789519	-0.2909959	-0.012684953	0.5617342	-0.022334104	-0.4768095	0.30677995	-0.04487741	-0.053177573	-0.21724361	0.6625124	-0.37740636	0.6349225	-0.9935779	-0.15587133	-0.43622953	0.020480806	-0.340208	-0.5638708	0.464356	0.99950355	0.21354531	-0.37122804	0.2824758	0.3758769	0.32897738	-0.07542072	-0.44955269	-0.33958113	-0.20305116	-0.34579048	-0.42539752	-0.029080883	0.18181503	0.37819397	-0.461559	0.6840114	0.4292136	1	-0.08782777	0.35101452	-0.049722783	-0.3360343	-0.6045632	0.5776503	0.38596785	0.4196127	0.405653	-0.6931714	-0.18850876	-0.3534737	0.4463283	0.3885937	0.20268092	-0.17097354	0.16570403	-0.07302676	-0.17638338	-0.53918755	-0.013314778	0.39821658	0.19576408	0.33218473	-0.35491487	-0.6386492	0.7559927	0.060606774	0.42198142	-0.62179023	-0.44416273	-0.5682503	0.53947306	-0.11883388	0.4768677	0.15738063	-0.30975702	0.1871248	0.05229702	-0.41828975	-0.7033272	0.2380366	-0.9856831	0.26513693	0.99985284	-0.46019182	-0.078232564	-0.75593024	0.7321181	0.22874187	0.030483393	-0.051007807	0.05514795	-0.037991107	0.054064862	0.4950452	0.0688556	0.001202991	-0.010693244	0.002755202	0.102919914	0.07647615	-0.999972	-0.99722284	-0.96885633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207	2	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl	0.8389137	0.28539726	0.46829087	-0.27723327	-0.27238563	0.7699217	0.36879733	0.18561944	0.20414476	0.6474035	0.5298768	0.512372	-0.37288776	-0.17803575	-0.42859575	-0.30660346	0.2577192	-0.3782668	-0.80927	-0.12314517	0.10276899	0.05472367	0.31016222	-0.23109625	-0.17350337	0.085808404	0.42415798	-0.7983064	-0.62610036	-0.35592178	0.38587236	-0.7446881	-0.23419012	-0.47301632	-0.20558509	-0.419155	-0.00588504	0.81616944	0.99984497	0.02705455	-0.29403445	-0.22013706	0.33994964	0.07534975	-0.7694389	0.6087326	-0.31870857	0.6843149	-0.075252555	0.88732624	-0.4274124	0.42326853	-0.28813195	0.8002165	-0.059978433	-0.006122565	0.1468045	-0.9346683	0.30662188	-0.33803377	0.16333084	0.59427243	-0.35718325	0.13307083	-0.54841787	0.46397927	-0.14518324	0.2444438	0.6536078	-0.20372151	-0.98763764	-0.9839919	-0.35813776	0.44115332	-0.032557167	-0.24862088	-0.40479428	-0.16625452	-0.50543344	-0.99955404	0.041374486	0.1152866	-0.8794793	-0.73007226	0.79281557	-0.29788974	0.32545552	0.009779375	0.06888626	0.18355563	0.22791122	0.28354335	-0.011131602	-0.17486309	0.99975365	-0.35769874	0.13416101	-0.10136242	0.12336884	0.796947	0.4096869	-0.4501675	-0.4123072	-0.29156432	-0.9994719	-0.77239496	0.14318426	0.07526533	-0.9998329	0.032059997	0.48729956	0.48441646	-0.2800356	0.38353184	0.5470642	-0.310931	0.017446788	0.40931222	0.9453195	-0.745551	0.13596126	-0.27252787	0.62326837	0.29728246	0.53776985	-0.38695475	-0.2575897	0.49451286	-0.12610158	0.9980508	-0.46747318	-0.08924253	0.44318423	0.75594914	0.34766528	-0.973721	0.25733685	0.20606565	-0.81392527	-0.16189511	-0.9999905	-0.2267632	-0.14050943	0.18568271	0.003998548	-0.025184525	0.2704963	0.39325827	-0.9936638	0.57077324	0.40801117	-0.33928916	0.79572815	0.65575457	-0.30637318	-0.3394862	0.60560495	-0.8946172	-0.8476387	0.71762145	-0.15851824	0.19885288	-0.66076076	0.39728722	-0.13414429	0.8301773	-0.1272882	-0.3107924	-0.17266212	0.5591275	-0.19920635	0.49532408	-0.661451	0.49130663	-0.3403028	-0.6713466	-0.45726722	0.06364158	-0.48480704	0.070838414	0.5431202	-0.9969934	-0.08804331	-0.36923414	0.8896915	0.21457833	0.6620883	0.25685507	-0.5347277	-0.43618736	0.44458857	-0.27679825	0.30405942	0.71436304	0.027910171	0.05548438	-0.30749154	-0.72098184	-0.03360161	0.1464917	-0.15570585	-0.022294635	-0.8029579	-0.18054773	-0.5816423	0.36471614	0.5641671	0.76708573	0.59698343	-0.99995	0.33669102	0.6431746	0.4480467	0.26607972	0.4351803	-0.2221616	-0.7376772	-0.44442183	0.49984825	-0.66496354	0.33799177	0.7217439	-0.772816	-0.13942432	0.9665576	-0.46076712	0.7695297	0.119333245	0.04299159	0.3239524	0.14035799	0.80312455	0.6687093	-0.18769854	0.14161961	-0.8276824	0.6905651	-0.053779766	-0.15531252	0.5279299	0.57098436	-0.24223372	0.32256436	0.7155142	-0.0533591	-0.63644344	-0.48049873	-0.7568097	0.6347254	0.5664917	-0.75517493	-0.9640413	0.53303313	-0.7696167	0.65523934	-0.3041199	0.30354637	0.40873176	-0.68609756	0.27883005	-0.41479805	0.22714107	0.8779029	0.72377837	0.11533323	0.8283176	-0.34484273	0.67127645	-0.69253975	-0.1766984	0.33902588	0.99695116	0.16564365	-0.23159406	-0.0939444	-0.7837356	-0.14277978	0.30295733	0.52287954	-0.31083953	0.096255474	0.94843364	-0.532895	-0.846966	0.001172486	0.54065293	0.57740265	-0.1570919	-0.98627	-0.30571952	-0.25020918	0.14097643	-0.3780532	0.9705908	0.29174474	-0.018456666	0.9999966	-0.86196774	-0.51326156	0.34583408	0.6330309	-0.45182204	-0.29479074	0.058622472	-0.8662879	0.254555	-0.9943878	0.6087484	-0.36478227	0.33066213	-0.4305379	-0.42996156	-0.1298365	0.5816159	-0.8384369	0.5618503	-0.30722797	0.20593026	0.95644987	0.10182098	-0.11111047	0.40492293	-0.3935932	-0.58997434	0.13146509	-0.42675334	-0.40959752	-0.7366908	0.70271975	0.076401636	0.61633575	0.6434051	-0.3787587	-0.56696445	-0.013751624	-0.61441565	0.14607722	0.053414945	-0.5876232	0.52887547	0.41838393	-0.2002444	0.0254768	0.34866387	0.18013188	-0.3976333	-0.4990488	0.54105073	0.45218703	-0.97369784	-0.35179812	0.4412656	0.23198411	-0.4020977	-0.13157101	0.5557759	0.385162	0.9997053	0.103903726	0.720253	-0.549718	0.001320544	0.11214463	0.7823629	-0.7123713	0.30561888	0.66029394	0.72873783	-0.4458637	-0.5553637	-0.04392723	0.43386823	0.80103004	-0.8629564	0.622713	0.99604225	-0.19171643	0.7994173	0.46734616	0.2216004	0.044606246	0.38991332	-0.7021991	0.8372196	0.18476672	0.343268	-0.44231105	-0.5631993	-0.54688996	0.06139189	0.7915362	-0.07631323	-0.18846786	-0.029060008	0.04299416	-0.89152616	0.004704723	-0.477767	0.9049294	0.3137039	0.97087663	0.1934123	0.10354447	0.3060402	-0.32766402	0.32164183	0.49629572	0.08689522	0.40358883	0.04958687	-0.6616235	-0.49388808	-0.45728967	-0.6283788	-0.072556175	-0.37180153	0.9307924	-0.5253499	-0.9855164	-0.10329041	0.9988411	0.38798836	0.63136613	-0.9858457	0.24450827	-0.75869834	0.5479315	-0.5822006	-0.74246615	0.015012603	0.46979168	0.36211413	-0.5990623	0.35296357	0.35777512	0.17337194	-0.5127597	-0.17088659	-0.9997012	0.9906383	-0.052174464	0.20540187	0.69446003	-0.3236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220	2	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	-0.6394707	0.34910792	-0.020036463	-0.12766463	-0.7090929	-0.5587393	-0.15657443	0.08961519	0.1274868	-0.0696094	-0.7507499	0.63557285	-0.17037831	0.88627046	-0.34702227	0.08674931	-0.4687132	-0.31229684	-0.057757437	-0.4576718	0.07933553	0.76418746	-0.3070843	0.027744874	-0.22440512	0.09658424	-0.64063555	-0.018946435	0.2896649	0.48710302	0.09911974	-0.32557237	-0.399234	0.046080098	-0.77621824	0.66912156	0.41839537	0.49704227	0.99979925	-0.33936548	0.8906435	-0.13237005	0.3793319	-0.16987237	-0.37932217	0.99372774	-0.20049007	-0.010482702	-0.61618495	-0.589713	0.60468966	-0.42614636	0.40679803	-0.36981142	0.76842695	0.11402503	0.13671958	-0.9814799	0.0431156	0.21463193	-0.7558429	0.46915093	0.034697246	0.11577604	-0.06034342	0.1667606	-0.060538523	0.26734704	0.38681155	0.44441798	-0.9879158	-0.58748007	0.60507536	-0.8385973	0.62491727	-0.422493	0.05054747	-0.3890004	-0.30077687	-0.9994474	-0.20546569	-0.068741255	-0.96524876	-0.18060116	0.3528279	-0.9641741	-0.15828358	0.7325733	-0.34958905	0.14276002	-0.27832708	-0.64553833	-0.093880564	0.51844114	0.99990493	-0.788863	0.09228655	-0.5312432	0.23721756	-0.2408437	-0.72064066	-0.20221828	-0.2231719	0.9950458	-0.99994487	-0.90293485	0.34779957	0.5806417	-0.9999867	0.24687783	-0.24765298	-0.39992273	-0.27528936	0.26433662	0.028638294	-0.13347115	-0.53214616	0.58686036	-0.8298493	0.6309353	-0.10730962	-0.39295024	0.43208697	0.27642414	-0.42973706	0.14654958	0.3417436	-0.6223595	0.025851075	0.9997513	-0.514752	0.006664512	0.35305968	-0.40235174	-0.11806385	-0.9858876	-0.7427033	0.62773615	-0.22331052	0.65576476	-0.9999998	0.75115657	-0.6970267	0.05981765	0.22561826	0.46553695	-0.4545122	0.07848617	-0.9999405	0.14369659	0.6564333	0.88938344	-0.23215742	-0.7669142	0.7646969	0.612392	-0.5297847	-0.999513	-0.76676184	0.82006276	0.9144059	-0.86072433	0.118069656	0.72845143	0.68127215	0.5056321	0.11406311	0.70185506	-0.039546646	-0.6957228	0.45525566	-0.19239421	0.74230576	0.19451754	-0.20555905	0.28742525	0.44679743	0.35308242	-0.84938025	-0.7074983	0.36018148	-0.9697119	-0.30648416	0.41701123	0.9057784	-0.43187192	0.7634139	0.32856646	0.26121843	-0.15348364	0.68386626	-0.4634994	-0.26389498	0.7757907	0.61157095	0.34384164	0.19405791	-0.7648636	-0.04684421	0.16625206	-0.060648665	-0.6349055	-0.49489686	0.78304255	-0.40998194	0.27011657	0.15913591	-0.6908383	0.066042244	-0.9998177	-0.87414956	0.63259816	-0.6354698	0.095543586	0.39918047	-0.21220662	-0.8503146	-0.33200392	-0.39816195	0.66111046	0.024453463	0.16768877	-0.44676977	0.026720345	-0.8972848	0.41271725	-0.10417854	0.30140492	-0.3858916	-0.39946103	0.002903729	-0.7146477	0.037326045	0.053644147	0.118110895	-0.63426834	-0.22684978	0.39978194	-0.037286025	-0.17881548	0.89014417	-0.018572621	-0.16232385	-0.24721108	0.46324584	0.1462472	0.32099476	0.2536297	-0.06361097	0.53358483	-0.60466933	-0.06274218	-0.36327234	0.41001302	0.5691984	-0.08426372	0.14652476	0.75089306	0.6737887	-0.14062323	-0.6634777	0.29136646	0.3166395	0.4087295	0.55767924	0.29372144	-0.11350868	-0.34472135	-0.09701276	0.39270812	-0.032705016	0.99978	-0.5571032	-0.045354597	-0.1887934	-0.47014683	0.11710067	0.7336029	-0.17825621	0.08597542	0.36662215	-0.19048105	0.058525085	-0.16108769	0.38724688	0.17245784	0.29280338	-0.090189464	-0.9995037	0.35770696	-0.11386714	-0.99316067	0.08071096	-0.36988887	0.8313305	0.37985158	0.9999998	-0.9731512	0.27066496	0.3596393	-0.3444041	0.12845838	-0.5723241	-0.6650564	0.7774683	0.6056195	-0.99993294	0.7995044	0.95284116	0.10309887	-0.53720605	-0.15431711	0.35438874	0.34387505	-0.43112254	0.28544587	0.20235482	-0.0842255	0.9998546	0.20400396	0.000498217	-0.5211039	-0.034633256	-0.7951048	-0.11200168	-0.6690889	0.7676421	-0.31541592	0.6962155	0.6033847	0.2608395	-0.2830745	0.27762473	0.11820122	-0.33576226	0.7304967	-0.19152488	0.50879705	0.73110425	-0.03302863	0.31966504	-0.13085757	-0.6870291	0.30673632	0.20240508	0.20045674	0.6886903	0.05624225	0.54623824	-0.9985856	0.87219244	0.275625	-0.2685626	0.30413076	-0.53953224	-0.79667664	0.6850439	0.99970704	-0.3124679	-0.67771494	-0.039819725	-0.10124052	0.53373986	-0.06946406	-0.80383646	-0.120906815	0.4921578	-0.6204595	-0.44489303	-0.4819553	0.18947367	0.08788489	0.029116418	-0.9321945	-0.42258003	-0.9999995	-0.45037887	-0.11097571	-0.3847467	0.36698982	0.9000477	0.44873992	0.13961723	0.13057175	-0.68389666	-0.4407582	0.033601765	0.26771662	-0.459794	-0.032333832	-0.304599	-0.028343385	-0.49783844	-0.4392037	0.6100356	0.23101984	0.4087853	-0.26345092	-0.95642877	-0.015638212	0.98918045	-0.12344299	0.83729446	-0.63794386	-0.6484082	-0.69546425	0.6522896	-0.7836561	0.5048318	0.31247038	0.40588498	0.1558934	-0.7857056	-0.20937426	0.28235355	-0.4633258	-0.9174246	0.29824895	-0.9862577	0.05053526	0.9980397	-0.44967204	0.70046794	-0.8259591	0.29603216	-0.9660909	-0.19398569	-0.24212463	-0.5324728	0.025204273	0.05367182	-0.7158669	-0.43980736	0.6586483	0.40623906	0.06878267	0.37837547	-0.38302317	-0.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221	2	CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1	-0.57344854	0.6747146	-0.14768524	0.5669788	-0.46267438	-0.41995105	-0.3641371	0.06985407	-0.2284647	-0.5897735	-0.06050609	0.68340784	-0.6303277	0.78454655	-0.6176431	-0.76904535	0.41832134	0.23736957	0.5335953	0.2499458	-0.16882	0.62415713	-0.29845268	-0.2005458	-0.3121096	0.641733	0.05524818	-0.19298437	0.5583198	-0.20804055	-0.19515912	0.4299107	0.28846082	0.76613	-0.19181608	0.73669726	0.4462125	-0.10345913	0.9995822	-0.44209543	0.9307204	0.597476	0.056719717	0.5514308	-0.42638192	0.9627843	0.36073136	0.6125081	-0.6368867	-0.27771544	0.79214877	0.41027096	-0.8406414	-0.45985606	0.109195665	0.7600916	-0.62974167	-0.96269137	-0.38873962	-0.300506	-0.21259163	-0.14549306	0.54895675	-0.5186696	0.019939428	-0.4433569	0.4293599	-0.2321833	0.25949878	-0.7959955	-0.99244857	-0.73554677	-0.537793	-0.87051165	0.63084114	-0.4753351	-0.23361866	0.017820658	-0.78951347	-0.99110836	0.3512828	0.68944114	-0.9666692	0.28869432	0.3466259	-0.9182075	-0.35689092	0.3591475	-0.32112435	0.6670214	0.025117751	-0.23689462	0.9468091	0.4037766	0.9996243	-0.5292777	0.11990465	-0.05090445	-0.4771582	0.072535194	-0.42072266	-0.74793446	0.32710993	0.9203581	-0.9998269	-0.9365103	0.420106	0.11379373	-0.99997365	-0.40751302	-0.12860395	-0.11109137	-0.69768184	0.3428792	0.619532	0.4025704	-0.20625308	0.4444233	0.42465696	0.058772605	0.4446267	-0.4670055	0.21694973	0.6170819	-0.65129644	-0.4928615	-0.7943495	-0.37460577	-0.7255335	0.99843746	-0.2773285	-0.47253492	0.51552963	-0.46462452	-0.27062032	-0.9124884	-0.73436564	0.6960434	-0.53081834	0.7042466	-0.99999344	0.34895307	-0.33460432	-0.14887983	-0.35057512	0.3587349	-0.1951971	-0.691999	-0.9996368	0.59671825	-0.35283434	0.83566415	-0.6169418	-0.27536264	-0.3671182	0.07231589	0.52399695	-0.9932853	-0.8567364	0.8015839	0.648048	-0.47057968	-0.10273979	0.21961176	0.17483856	0.29593536	-0.24604191	0.06989574	-0.42044812	-0.36516982	-0.2646639	0.40052217	-0.013185153	0.256848	-0.17200087	0.7202731	-0.8097235	0.73423535	-0.8345663	0.33810908	-0.5908782	-0.8624822	-0.21369442	-0.5276303	0.9208373	-0.25198618	0.5397194	0.15985094	-0.68730974	0.013720281	0.87985826	0.68829095	0.052333657	0.5683747	0.60308695	0.7262401	0.032844003	-0.26067775	0.34408638	-0.49473292	0.33691534	-0.04467426	0.34657103	-0.066331215	0.006263956	-0.5984428	0.71316314	-0.1832269	0.7126177	-0.9995428	-0.14941303	-0.018422399	0.007628483	0.48629907	-0.22746849	0.35932064	-0.5831009	0.6785042	-0.32687557	-0.2787651	-0.035873953	-0.43066108	0.33602276	0.073186405	0.92465895	-0.164148	-0.5751132	-0.55343634	-0.51861227	0.26580232	-0.58456695	-0.4351033	0.5392991	-0.25285712	0.4101377	-0.006775148	-0.108086675	0.5055323	-0.2735401	0.43703306	0.89934725	0.44638863	-0.24995753	-0.22891167	0.11225422	-0.8152245	-0.027188338	0.34026524	0.55665207	0.6814765	-0.7047516	-0.7669559	0.086202346	-0.04531411	0.25889358	-0.27468175	-0.5680542	0.29820478	0.26071718	-0.7941836	0.14602764	-0.65791464	0.2381386	-0.6062812	-0.3209226	0.11784661	-0.33611187	0.2736582	-0.27104402	-0.58687866	-0.32691082	0.9989493	-0.34161884	0.70528084	-0.7827661	-0.177754	0.074893214	0.61776704	0.36042637	-0.41380942	0.44380635	0.77162397	0.47169375	-0.045208964	0.19225101	0.5724309	0.026366955	-0.42875555	-0.99788374	-0.8009286	-0.09983248	-0.8587474	-0.56590444	0.7498184	0.38034955	0.1317533	0.99999785	-0.9790026	-0.48566666	-0.36574042	-0.07534476	-0.07168267	-0.75868094	-0.4300436	0.8740921	0.8793029	-0.9995419	0.41952184	0.7427055	0.2743646	0.297106	0.2656816	-0.4943493	0.20449165	0.56613225	0.6131076	0.10576046	-0.19624029	0.999776	0.26151058	-0.054117482	-0.11315122	0.76066875	-0.92507255	-0.74789584	0.40999302	0.6505292	-0.071496874	0.19367099	-0.60595363	-0.1441044	-0.6340913	-0.3932308	-0.054141548	-0.4828797	0.6507632	0.4043801	0.46995676	-0.3432256	0.006540868	-0.66282505	0.62566996	0.44903758	-0.24012072	0.5912171	-0.5296112	0.37967157	0.4117124	0.52424216	-0.9903211	0.49274972	-0.16230492	0.085552365	-0.6868186	0.036174007	-0.24669045	0.42508942	0.9993347	-0.26519084	0.016526988	0.5117217	-0.64639163	-0.5314296	0.111129574	-0.66504526	0.10953947	0.918361	-0.14160608	-0.16158696	-0.60473007	0.35450882	0.13910599	0.65073735	-0.9400689	-0.32748556	-0.994666	0.28113392	-0.3544724	-0.6913552	0.438713	0.68473047	0.25320378	-0.53908765	0.059316974	-0.26944968	-0.30159405	-0.24842155	0.4965605	-0.36040592	0.7121033	-0.05320414	-0.29284954	-0.49157378	0.30919918	0.7778916	-0.32184675	-0.37293604	-0.37835318	-0.34691194	0.18690823	0.9875281	0.48359403	-0.11982407	-0.758668	-0.09179429	-0.2126737	0.043942075	-0.25403357	-0.49633762	-0.23600297	0.56894636	0.73423815	-0.7808327	0.8985001	0.37679747	0.10928231	-0.9120037	-0.19011724	-0.91208756	0.37557206	0.99700457	-0.6391901	0.60706717	-0.7656309	0.25175023	-0.6914238	0.3219715	0.24651797	-0.43934894	0.18902102	0.42848396	-0.68637425	-0.31848434	0.1892985	-0.7119166	-0.5059216	0.20641004	-0.2328157	-0.999707	0.9999991	0.9217669	0.08960166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318	0	CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O	-0.35330018	-0.20406148	-0.75021964	-0.3590575	0.08132559	-0.72406596	-0.13423784	-0.4481182	0.26436594	0.25495505	-0.39803612	0.3113447	-0.36525154	-0.38158014	-0.09957336	0.15116422	-0.34607652	0.21493033	-0.000745537	-0.040124793	0.48957044	-0.1836525	0.07106574	-0.39946944	-0.14426035	-0.13567841	0.02473661	0.15248556	0.4054383	0.2239536	0.42328835	-0.12228015	-0.0638361	-0.25833768	0.29329735	-0.15589286	-0.5659888	0.41079238	0.9977958	-0.5599262	-0.9303095	-0.007334188	-0.3534566	0.29453006	-0.22103296	-0.7285525	-0.61139584	-0.26053554	0.8536855	-0.66901535	0.61507523	0.34285662	0.10889051	0.036238596	-0.61758333	0.15000103	-0.55251724	-0.2540554	0.14940964	-0.2639866	0.41301128	-0.76040304	0.61393315	0.4327097	0.06458177	0.5376375	0.3503064	0.19853166	-0.48651537	0.2802357	-0.5915482	-0.86112094	0.21517876	-0.27402905	0.01164903	0.31259927	-0.35321593	-0.16738378	-0.47212285	-0.9997425	-0.15542236	0.20055316	-0.823064	-0.10674994	0.27861854	-0.81904936	0.08996661	0.24208248	-0.49776778	-0.06719277	0.022227718	-0.29483843	-0.37876162	-0.0349263	0.99916196	-0.4876916	0.5200458	0.062242217	-0.03594432	-0.23937087	0.2552879	0.46320277	-0.019459944	0.95259213	-0.98284364	-0.38555706	0.29841232	0.6347546	-0.94722235	0.00687682	0.24562459	-0.2870249	-0.25008282	-0.5019582	-0.32294744	0.50207096	-0.23792128	0.18346614	0.9932602	0.101578675	0.15627259	0.016569516	-0.45305714	-0.11326575	-0.54543245	0.22644116	0.30172518	-0.7481724	-0.03014238	0.9997614	-0.4110049	-0.29616967	0.48185015	-0.009074125	-0.1374351	-0.8858238	-0.044022888	-0.24108197	-0.6862947	-0.1819702	-0.9998885	-0.19397092	0.7252218	-0.2846958	-0.42267358	0.23028697	-0.3374555	-0.2383186	-0.60571533	0.114433095	0.6330726	-0.83328754	-0.017918587	0.25246778	-0.39077362	0.7452011	-0.281731	0.5339326	-0.8134286	-0.8419362	-0.8853416	0.73930776	0.24878961	0.35940513	-0.046182275	-0.16297954	0.1795219	0.5650633	-0.0622052	0.24939676	-0.13487929	0.42409736	0.008170459	0.02296911	0.42641357	-0.98016536	-0.27697524	-0.4656827	0.1409697	-0.073772795	-0.15253322	-0.9560244	-0.21536402	-0.1263414	0.14325863	-0.1020602	0.18218343	-0.37318793	0.73968285	-0.01422403	-0.4091104	-0.29042512	-0.16947	0.15082869	0.051330302	-0.3430672	-0.030789515	-0.34382913	-0.060031213	-0.27452773	0.06483688	-0.7919862	0.28624842	0.35825798	0.21734717	0.32072827	0.23695928	-0.07277857	-0.5151521	-0.99977034	-0.52027	-0.4395865	0.07989795	-0.46580538	-0.0538825	0.026942564	0.28689826	0.16966712	-0.27052203	0.04373082	0.18958987	-0.5756383	-0.60820556	-0.119852364	0.9891369	-0.3277999	-0.08538889	0.386828	0.352109	0.06766429	-0.06687746	-0.30975142	0.7211125	-0.094998755	0.55445987	-0.3165049	-0.005001769	-0.026318548	-0.020487232	-0.2749532	0.7361572	0.34957516	0.48522338	-0.9381263	0.5832547	-0.27063966	0.34676108	0.48386016	0.07501808	-0.10539274	0.22402602	-0.9707008	-0.34151477	0.53428984	0.68611777	-0.40775117	-0.004210894	0.54479724	0.29461473	-0.25661492	0.27818853	0.5827924	0.40776914	-0.51858115	0.32691008	0.07476757	-0.050792597	0.30920458	0.82215124	0.17437376	-0.48879474	0.8130135	-0.06894136	-0.113548644	-0.79024273	0.41866565	-0.116543174	-0.6594449	-0.37924144	-0.005872264	0.27022344	0.99847084	-0.15327366	0.07252626	0.13476409	0.17890161	-0.021081034	0.29745123	0.076734744	-0.2705456	0.23361973	0.95733994	-0.4209728	0.08945291	0.061386917	-0.5554891	0.99997675	-0.9822884	0.57918924	0.06990456	-0.005370369	-0.47434038	-0.7253879	-0.18490356	-0.502376	-0.802812	-0.8077205	-0.27845976	0.82480526	0.3590903	-0.012747169	-0.093943775	-0.39749524	-0.6250783	-0.47930545	-0.39739597	-0.508203	-0.17978685	-0.964989	-0.5275646	-0.57739174	-0.12552656	0.42938957	-0.5144346	-0.22444054	0.04725038	0.54738754	-0.9301543	0.70790714	-0.09282128	0.45906997	-0.16314712	0.4059159	-0.3633549	0.32884365	0.4221447	0.16076201	0.52044576	-0.4040775	0.31456977	-0.47262332	-0.35535517	-0.4167956	0.25559488	-0.66157216	-0.003975061	0.09712388	0.64443415	-0.32471004	-0.61690265	-0.96442026	0.3722716	-0.5206625	-0.4205932	0.24046007	-0.18837443	0.09921249	0.9991856	0.46225518	0.005889196	0.15174857	0.30847344	-0.3968758	-0.16592379	-0.90238816	0.52736336	-0.51882654	-0.431633	0.5027063	0.1188654	-0.48568285	0.25575396	-0.0731089	0.4938837	0.5398103	0.99608856	0.22403817	0.033354223	0.11344642	-0.5607936	-0.6237911	-0.5155844	0.25163206	-0.719367	-0.37050688	0.09575777	0.6155874	0.080711275	0.18102899	0.50844556	-0.088903524	-0.52407414	-0.044943094	-0.04751251	0.60515505	-0.24361849	0.08292942	0.05784383	-0.17065327	0.001026579	0.43991116	0.09796397	0.76149493	-0.007695607	-0.06484358	-0.7358532	-0.8615831	-0.31874678	-0.69616205	0.18704106	0.03852911	0.67070943	0.086260274	-0.049008753	-0.050268907	0.21260752	0.9999639	0.22427359	-0.98988384	-0.12891336	0.99968266	-0.256977	-0.109711714	-0.99786645	0.18388778	-0.41750482	0.37890854	0.051753595	0.044264775	0.62216437	-0.026776232	-0.29436028	0.028340297	0.3978826	-0.09596998	-0.31370524	-0.2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377	1	Cn1cc(-c2cc3c(N4CCN(c5ncc(C(C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1	-0.09196486	-0.67571276	0.35512558	0.14723365	0.22950092	-0.058371544	-0.02751999	0.424318	-0.6305897	0.060140476	-0.0680601	-0.009038708	0.27921674	-0.42384276	0.08287512	0.29398355	0.003430612	0.10320288	-0.21008694	0.01201562	0.37537012	0.79057366	0.5796834	0.3590592	0.36491275	-0.19616094	-0.52024597	0.7354682	-0.515861	-0.53992945	-0.47732362	-0.28758347	0.60044557	0.64411265	-0.7617724	0.8513796	-0.6272344	0.22643626	0.9995738	-0.45283154	0.90627944	0.25035867	-0.346994	-0.5425439	0.28867155	0.99493986	0.4560066	0.5592028	-0.7680796	-0.34722635	-0.29209334	-0.17025189	-0.33510962	-0.6192302	0.83555573	-0.16167903	-0.6974772	-0.98795086	-0.3757481	-0.51659137	0.3180184	-0.7593215	0.61617386	0.87582946	-0.032172486	0.36984998	-0.14128824	-0.13733499	-0.5881404	0.8208678	-0.99546975	-0.928217	0.80495715	-0.85621184	-0.19060001	0.4543014	-0.55453974	0.33758232	0.120117314	-0.9940312	0.7581398	0.8290471	-0.98289514	-0.25331596	-0.49909505	-0.9023042	0.18023393	-0.65446764	0.17859174	-0.03799941	-0.5411123	-0.631272	-0.068258	-0.61127025	0.9993931	-0.35030216	0.17916474	-0.6486156	0.19698873	0.5202145	-0.5791252	-0.47459847	0.09384434	0.99485904	-0.999911	-0.9349921	-0.36300263	0.5185483	-0.7995074	0.17635871	-0.034135796	-0.36972895	-0.04459249	0.18330084	-0.21283194	-0.49480468	-0.48773333	-0.55701417	-0.86336523	0.6729911	-0.002065948	-0.20577976	0.20085603	0.5057632	-0.093297355	0.3936589	-0.15971975	0.12492169	-0.4173734	0.99658394	-0.14582011	-0.6288131	-0.026021793	-0.6272823	-0.42309284	-0.9650507	-0.48015776	-0.1231137	0.8036662	-0.77560174	-1	0.30436397	-0.8172479	-0.025953697	0.084246695	0.23806524	-0.3987144	-0.76682746	-0.99995255	-0.41392016	0.02120001	-0.21051241	-0.70710933	-0.73473644	0.27241474	0.38643166	0.5379691	-0.9992649	0.3690371	-0.6006304	0.92741984	-0.11617947	-0.09519017	0.18349792	-0.002036427	-0.5247951	0.15477736	0.32963195	0.37576416	0.25349718	-0.55263215	0.37078282	-0.4320535	-0.46512222	0.32035804	0.8179961	0.13327453	-0.30744165	-0.8469538	-0.21696119	0.36027524	-0.8953442	-0.20772266	0.6191365	0.9652023	0.5089202	-0.18140954	0.08178665	0.5016252	0.5163757	0.50577426	0.7714795	0.104938015	-0.3785815	0.05468884	0.74670637	-0.28089288	-0.7366961	-0.3316332	-0.43091053	-0.32314155	-0.73073465	0.042403672	-0.21014707	-0.25531742	-0.33158934	-0.33227962	-0.7524122	-0.54122585	-0.99918884	-0.11942611	-0.65977556	-0.012876658	0.28689548	0.16766842	0.22397368	0.49808127	-0.38039565	0.29719728	-0.6094457	-0.30916938	0.5357879	0.52556175	-0.26127538	0.94849676	-0.36652806	-0.42811987	-0.17036608	-0.06834713	-0.15735494	0.46989635	0.051569257	0.32101768	0.64260095	0.62938786	-0.59593904	-0.60608506	0.21687874	-0.26933086	0.012680706	0.8474381	0.40285042	-0.04851525	0.16551763	0.42053288	-0.8257975	-0.76690847	-0.15463734	0.56729853	0.16620137	-0.6230513	0.87395036	-0.5597688	0.22539994	-0.34796205	0.8870914	-0.6564382	0.45759568	0.05531702	-0.29843876	-0.09366264	-0.013378673	0.41556728	-0.43493426	0.013141641	-0.5732893	0.472497	0.0193014	0.000199568	0.21693926	0.5279639	0.9993492	-0.7454691	-0.03597573	-0.7615615	-0.31995627	0.52679354	-0.5592967	-0.35905787	0.012281022	-0.5157297	-0.16575606	-0.30355513	0.19247586	0.2543643	-0.15375254	0.07490916	0.91001457	-0.42971194	-0.2803812	-0.5109338	-0.99160486	0.2164698	-0.6638093	0.31509316	0.14976153	0.9999999	-0.8564954	0.40616348	-0.5881519	-0.5568845	-0.06687657	-0.467175	0.542422	0.89998984	0.6462633	-0.9999347	-0.63252026	0.9384155	0.37792432	0.06670415	0.3385644	-0.43285227	-0.2541729	0.67742217	0.4397065	-0.16114245	-0.31706604	-0.97509027	0.017497478	0.4352856	-0.26588708	-0.16355547	-0.5381119	0.7435987	-0.58056897	0.5824751	0.6694081	-0.7276298	-0.2957358	0.071248196	-0.027653871	0.14970869	0.070681706	0.097804435	0.19989659	0.2522853	0.18460137	-0.62822556	0.29677925	0.16869017	-0.048938684	0.48795107	-0.83131844	-0.18700063	0.13480547	0.42394617	0.66952336	0.18650301	-0.99361396	0.87660307	0.5480211	-0.50880724	0.555352	0.33259422	0.52104706	-0.3842684	0.9960396	0.3526698	-0.70658094	0.06867528	0.54258513	0.67142045	0.120632045	-0.21155497	-0.3121661	-0.6469954	0.06725142	0.5475376	0.7662094	-0.33258882	0.6432511	0.11929708	-0.97020835	0.14882544	-1	-0.032670982	0.4365154	0.4884556	-0.01917339	0.9628864	-0.057400126	-0.34918088	0.18825382	-0.322185	0.4232119	0.44119868	-0.49823445	-0.16141047	-0.7903249	-0.6879365	-0.5971531	0.39557144	0.17521444	0.2436218	0.88365227	-0.42994604	-0.26757377	-0.62622267	0.51065373	0.9939038	-0.40975693	-0.45303017	-0.7377901	0.47927156	-0.6094589	-0.7084509	-0.518779	-0.6756244	0.84194285	0.6864136	0.16162598	-0.062408082	-0.1313351	0.32330206	0.73628324	0.9998953	0.62220836	-0.9449511	0.05102946	0.9894335	-0.1553899	0.47108182	-0.99850917	0.12048626	-0.9798989	-0.103573665	0.6128253	0.065780155	0.6395993	-0.4926337	0.6043224	-0.41614062	-0.23072876	-0.6418905	-0.3546219	0.055018026	-0.056720577	-0.9867903	1	0.99016666	-0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387	2	Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)O1	0.26323393	-0.21238557	-0.32883188	-0.4285772	0.05286027	0.28654718	-0.2646898	-0.35584357	0.2530198	-0.75671035	0.30813757	0.098975435	0.67656666	0.43850112	0.69528747	0.18114536	-0.33322325	0.34862816	0.40569377	-0.45284083	0.43889913	0.4552336	0.08585456	0.6966206	-0.41452506	0.10627678	0.21207389	0.2686294	0.4352333	0.63502824	-0.05230324	0.0813072	-0.32269955	0.17576802	0.38586906	-0.3623991	0.5812417	-0.27031448	0.9935753	-0.54421586	0.7057307	-0.105807066	-0.08413692	-0.4773537	-0.11472033	-0.8649449	-0.13394521	0.6743445	-0.57065237	-0.1832316	-0.5086804	-0.19447613	0.080577664	0.10079037	-0.34274256	0.0897318	-0.24847871	0.18289854	-0.38623977	0.3810885	-0.5590732	0.6097781	-0.7831918	0.13191344	0.12575616	-0.3550188	0.008286234	-0.74065137	0.079390615	-0.29250214	-0.9914422	-0.99976456	0.36662218	-0.5466917	-0.14979811	0.6730423	0.2745226	-0.07334237	-0.105852485	-0.99927485	-0.6078449	0.048967294	-0.95621634	-0.69067717	-0.121773385	0.5546876	0.32641676	0.034682866	-0.74279654	-0.31979775	0.4828651	0.11375117	0.045204397	0.5293473	0.9998344	-0.45652044	-0.91097474	0.09390577	-0.59356797	-0.28313154	-0.33263785	0.13671574	-0.31745556	0.75098175	-0.9205095	-0.98277086	-0.5554629	0.35716102	-0.999987	-0.03521952	-0.70032406	-0.531746	-0.58339	0.5634467	0.8294342	-0.43575478	0.71946794	0.09047805	0.9977823	-0.17820208	-0.42370492	0.3830933	0.5953599	0.22549216	0.24383788	-0.1624938	-0.5687211	0.20706727	-0.60925263	0.91452414	-0.57094914	-0.76915115	-0.15505919	0.11957145	0.062358435	0.8706783	-0.8446891	-0.21279778	0.37609813	-0.36356747	-0.99999875	0.15390915	0.20442544	-0.32472518	0.25009444	-0.30041233	0.43945888	0.08320817	-0.28231218	0.021976138	0.16907567	-0.33830583	-0.79285777	-0.26708296	-0.85852605	0.1257121	-0.08570163	0.8356872	-0.026968345	-0.5653175	-0.94924915	0.60286623	-0.14927635	-0.7193647	-0.3786723	-0.019135954	-0.7215048	-0.60909647	-0.0914867	-0.21300569	-0.09495472	0.5508022	0.41547826	0.18639895	0.18044011	0.90688425	0.39786765	0.8365372	-0.5908564	0.29087254	0.28501868	-0.9909352	-0.013140685	0.5095533	0.7861532	0.18437006	0.1292209	0.22380672	0.30360168	0.28760508	0.9457153	0.41894805	-0.26911885	-0.16998567	0.06325895	-0.30384392	0.57598966	0.6805509	-0.5386535	-0.33235723	0.23703901	0.3249095	0.27133664	-0.82707655	0.25454158	0.059297077	0.57439595	0.24709538	0.6561352	-0.9996807	0.014331078	-0.48807815	-0.17693223	0.33759865	0.26465088	-0.33245176	0.3448047	0.4939279	-0.5950513	0.47884437	0.13422719	-0.53741485	0.8889812	0.16966714	0.9999999	0.45491534	0.1904934	0.003333314	0.5345857	0.29473993	-0.6233521	0.37561297	-0.58597904	0.047844283	-0.094937265	-0.15883562	-0.5754847	-0.027610261	-0.10635225	-0.040647157	0.91958237	0.4953442	-0.5051625	0.03822638	-0.6531308	0.26562855	0.2337132	0.5675578	0.23378216	-0.4081726	-0.46700656	-0.76219124	0.2912866	0.19116017	-0.3924891	0.09575049	0.03579022	0.1072879	-0.4489794	0.60668236	-0.28795266	0.15819837	0.1082662	0.1707536	0.051765773	0.49417156	-0.49533153	0.19729927	-0.958157	0.45278907	0.60936207	0.9953817	-0.36362052	0.075670436	0.5498692	0.86937654	0.76329035	0.5010839	0.36589864	0.32739243	0.8043626	0.9984751	-0.2408843	0.68390435	-0.26119128	0.039771307	0.06866104	-0.9614948	-0.9949086	0.34137958	0.65155834	0.9904141	-0.113597855	0.4865257	0.013036261	0.44262835	0.9999995	0.29473415	0.11193651	-0.17241988	-0.14649606	-0.29909545	-0.3733136	0.053274624	0.86565655	0.778934	-0.3339875	0.61792725	-0.22805716	0.26009005	0.2502599	-0.78967464	0.547089	-0.3325027	-0.42423394	0.35762817	0.3568808	-0.3750579	0.9996834	0.52824855	0.3307493	-0.080746084	-0.13583909	-0.3623496	0.021832233	-0.25690827	-0.2417091	0.95953083	0.32739893	-0.1151881	-0.077046566	0.0788101	-0.6281081	0.34666058	-0.62090075	-0.9705861	0.44050863	-0.22049738	-0.0856157	-0.05530042	-0.08603678	-0.6601518	0.373636	-0.15750593	0.085764	0.25686002	0.65285695	0.41852176	0.032170825	-0.25114167	-0.9298066	-0.6680641	0.665828	-0.27514613	0.35619068	0.33447745	0.42638978	0.9994344	0.019490032	0.9494723	-0.43146405	0.063957736	0.80236626	0.74251735	0.798864	-0.7716155	0.042581532	0.42590544	0.48412845	0.054969307	0.012276215	0.1976227	0.25469446	-0.8165666	0.005318392	-0.98844045	0.40994406	-0.6798235	-0.27451032	-0.4899691	0.15491901	-0.36999217	-0.2035703	0.12647782	0.12250109	-0.17350605	-0.45918754	-0.7250791	-0.42253256	-0.013139008	-0.18035121	0.07231645	0.20491198	0.17807755	0.16672346	-0.17394188	0.26285	0.7963318	0.47484344	0.61522454	0.964226	0.43266806	0.34346673	0.014950465	0.23684844	0.25409156	0.5345232	-0.42169738	-0.74630564	0.45728326	-0.17229639	0.39036262	0.5015277	-0.02343011	0.6805383	0.53863573	-0.88678133	-0.15747586	-0.95435137	-0.40358502	0.99717724	-0.3501157	0.1669459	-0.75116676	-0.588921	-0.11745368	-0.21086903	-0.3569183	-0.36308727	-0.16638155	-0.40960184	0.8980827	-0.2578417	-0.35690013	-0.6312962	-0.32158932	0.18743421	-0.029539322	-0.99997514	0.9999998	-0.9110477	0.35216135	0.3716869	0.7352199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388	2	CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1	-0.58486676	0.23053475	0.50099164	-0.33108902	-0.31500033	-0.61308306	-0.31710732	0.3832352	0.18554978	-0.19712825	-0.703484	0.662379	0.1618787	-0.047713812	0.73444545	-0.5724519	-0.37819412	0.3808323	0.60366637	0.53752244	0.58581716	0.20340185	0.21520108	0.28040698	0.2848005	0.2975252	-0.071048774	-0.036244452	0.3449314	-0.3682588	-0.30898392	0.5840252	-0.29415607	-0.4630922	0.30019873	0.0529021	0.1064688	0.19996437	0.99557614	-0.9375425	-0.6144041	0.052360162	0.08280455	0.18006763	-0.1385331	-0.62612045	0.06419807	0.8680786	0.38532242	0.45152023	-0.13347766	0.62409	-0.037623316	0.5206053	-0.7249455	0.4574963	-0.768001	-0.00191847	0.3139905	-0.021579597	-0.16821545	-0.16536213	0.6916142	0.5799916	-0.0648272	0.13719884	0.29783398	0.10855351	0.001305922	-0.5155105	-0.94215304	0.355017	-0.012502062	-0.94365036	0.6767966	-0.8058056	-0.5562315	0.54864514	0.14806847	-0.99692875	-0.48093814	-0.23617537	-0.96361214	-0.04005328	-0.13629256	-0.96504474	-0.03510538	0.45735446	0.070436396	-0.16553494	-0.009649851	-0.12413523	0.7296148	-0.23088428	0.9641509	-0.43966073	0.869627	0.6346108	-0.5421463	-0.04671471	0.44427198	0.17709616	0.822993	0.8102185	-0.9684096	-0.9019209	0.6543285	0.16624421	-0.9942289	-0.4554255	-0.4208084	-0.6604823	0.38466507	0.29395047	0.14747342	0.42262387	0.5452464	0.45427155	0.99328804	-0.051144797	-0.36256906	0.27607685	-0.34429696	-0.16196951	-0.62003815	0.37557456	-0.04490427	0.3027494	-0.24007317	0.9999698	0.26082152	-0.6277903	0.8323293	0.061973102	0.87682724	-0.99400836	-0.26728112	0.48890853	-0.1755014	-0.18987402	-0.9999931	-0.10540916	0.96771896	-0.38271108	-0.5748867	-0.029164718	-0.68566287	0.28631985	-0.4951411	-0.39751115	0.5932607	-0.4360822	-0.2777222	-0.075005494	-0.4534357	0.04913483	-0.43266043	0.7048321	-0.734721	-0.54451513	-0.85035026	-0.052147128	0.44224054	0.13606732	0.0947945	0.8424398	-0.27665693	-0.8602977	-0.17767477	0.22258633	-0.53308874	-0.3590063	-0.10933552	-0.13506505	0.36083695	-0.67491996	-0.87899286	0.08880687	-0.60395163	-0.1615222	0.35179117	0.03728325	-0.31547233	0.7045892	-0.55822814	-0.3427476	0.79009736	-0.5036709	-0.511831	-0.52258444	0.6337565	-0.03541526	0.5232582	0.2224819	-0.30334714	0.1091393	0.1339531	-0.59033895	0.19828188	0.7659875	0.47145477	-0.27371553	-0.2541062	0.34761956	0.1411566	-0.54340357	0.5154924	-0.6339216	0.27808636	-0.99907863	-0.13016781	-0.2386822	-0.5999751	0.41918904	0.33938932	-0.16105188	0.14795116	0.4901153	0.31326663	-0.6813254	-0.28653058	-0.39664644	-0.22577208	-0.004337485	-0.9391307	-0.5281787	0.17583683	0.5724789	-0.41071287	0.26457173	-0.3072478	-0.35771453	0.12465142	-0.5634741	0.40810767	-0.3379454	-0.042124312	0.15572454	-0.22255005	-0.45419353	-0.910177	0.14682096	0.66419256	-0.4319441	0.8153809	-0.35008577	0.790482	0.27384457	0.6212908	-0.54708934	0.10375623	-0.77038544	-0.41606936	0.43369696	-0.46715948	-0.1367141	-0.16465712	0.21522999	-0.1559799	-0.23945537	0.019255983	0.42515856	0.61736774	-0.72432184	0.5985403	-0.6625485	-0.34120294	-0.41092584	0.423848	0.04975702	0.3201852	0.9946186	-0.08646886	0.407271	-0.56927496	-0.33232918	-0.2821022	0.40489992	0.46740046	0.52854544	-0.09226292	0.9982804	-0.2930869	0.8064746	-0.6727686	-0.150408	0.05647196	0.6434088	0.539683	0.29511374	-0.438716	0.9687189	0.71487474	0.58729833	0.036700938	-0.18928619	0.9999985	-0.9982155	-0.35063457	0.8765472	-0.1495848	-0.43255875	-0.63112015	-0.17246509	0.90875214	-0.08980139	-0.70455235	0.59988874	0.061869975	0.051391684	0.45070702	0.55965585	0.020902008	-0.2672662	0.85389	-0.60740745	-0.32528254	0.19747928	-0.8821899	0.3972762	0.13406287	-0.31043535	0.03011185	-0.8126249	-0.1329152	-0.30956426	0.4110121	-0.95015615	0.7467725	-0.16420725	-0.000510372	-0.6960932	0.31298715	0.09931233	0.33923513	0.9400538	0.56758404	-0.43218032	0.18172267	0.09557209	-0.026372992	-0.5664568	-0.23635694	-0.15108556	0.15372501	0.57421905	-0.32178923	0.4122214	0.123294584	-0.46739548	-0.97537863	-0.40052018	0.59433657	-0.18847547	-0.064573884	0.51267517	0.13086443	0.9960927	-0.26736614	-0.5957432	0.26806387	-0.28645068	0.33362103	-0.38667965	-0.959586	-0.7779948	0.51066315	0.4388689	0.03214897	0.06482278	-0.7550788	0.57038504	0.5730862	-0.55853564	-0.61152166	-0.99065864	-0.11335293	-0.26506868	-0.42407155	-0.003828365	-0.48183367	0.07948154	-0.16735698	0.043105524	-0.7511796	0.165182	-0.36533836	0.5725574	-0.3882461	0.8246234	-0.4832408	0.27765438	-0.7413223	0.008935576	0.9130271	0.4495061	0.91110164	-0.6098512	0.15293536	-0.34430313	-0.41807488	-0.3201097	-0.35575604	0.36540198	-0.20882684	-0.560377	-0.284942	-0.72446597	0.112812705	0.38441685	-0.3580695	0.24565582	0.66314906	0.14080058	0.20148864	0.29827967	0.9997482	0.46760023	-0.9675126	0.560339	0.9990284	-0.30646515	-0.61240685	-0.9993024	0.26848027	-0.43568322	0.77047986	0.038017176	-0.5704348	0.009736663	0.17557006	-0.8845339	0.31544545	0.46429595	0.024691202	0.5489007	0.45321286	-0.04363017	-0.99999255	0.9999999	-0.6811493	-0.65225625	0.12277234	-0.38730502	0.03657398	-0.51010567	-0.1692785	0.25631455	0.09402568	0.69547087	-0.9271062	0.2434636	0.053256392	-0.34352556	0.71697426	-0.017259825	-0.24105918	0.40911284	-0.99988806	-0.53643143	0.04561956	-0.29123718	0.13334028	0.63013583	-0.98533034	0.53562033	-0.2923543	-0.5377341	0.14994086	-0.2401153	0.34970233	0.9737593	-0.83874756	0.6429595	-0.29522446	0.6738038	-0.3161738	-0.7412507	-0.5701323	-0.0715697	0.14942841	-0.75651777	-0.7585269	0.6768923	-0.26724526	-0.17292705	0.24458408	0.35076478	0.22360593	0.6809886	-0.5787245	0.19271995	-0.23327956	0.98082584	0.58099467	0.771406	-0.6430313	-0.47181737	0.06627977	0.99994284	0.32198063	-0.041573077	0.6483795	0.44474816	0.1425845	-0.43716893	-0.9805672	0.16353412	0.47927544	0.5491782	-0.122618735	-0.55027366
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407	1	Cc1cc(C(=O)NNCc2ccccc2)no1	-0.7313052	0.21459118	0.13397701	0.43688914	-0.008232758	-0.7170988	-0.49153683	0.35020503	0.22044365	-0.101923704	-0.109414846	0.056783166	-0.51543224	-0.20441873	0.47142038	0.5954659	-0.21851437	-0.6103864	0.11969528	0.3667439	0.26965195	-0.616386	0.002766867	0.6337285	0.27268276	-0.13029839	0.72352916	-0.4457743	-0.27309105	0.31279463	-0.14406185	-0.12712003	0.22073528	-0.21430321	-0.056543574	0.12133564	-0.13295957	0.17677188	0.89001226	-0.4956829	-0.99692917	0.09586159	0.038244635	-0.20417845	0.015883049	-0.9784058	0.3763903	-0.02855156	0.22016926	-0.18413158	-0.46718547	0.07395782	-0.30006543	0.104943305	0.3291663	0.6366486	0.000773808	0.86877537	0.24011871	-0.2510619	0.040783644	-0.54534346	0.14062196	-0.07929549	-0.080307245	-0.513334	0.07092236	-0.3265324	-0.42512122	0.7360843	-0.94979906	-0.9990941	0.5625485	-0.14373273	-0.14145282	-0.19585355	-0.47185022	0.2988812	0.035083316	-0.999759	-0.10026213	-0.20485245	-0.9199486	0.4606777	0.20627661	0.10740967	0.31416613	-0.10761373	0.23552293	0.36436832	0.28993985	0.041039735	-0.016445493	0.18466893	0.99790126	-0.09191985	-0.47696772	0.827356	0.41607258	-0.09424154	-0.5920488	-0.51867306	0.053902254	0.98090947	-0.08680106	-0.9418755	0.40968663	0.13039626	-0.99887866	0.34860012	0.5055763	-0.18241897	-0.703017	-0.29546273	-0.4753753	-0.22201872	-0.1692016	-0.5144267	0.998563	0.40057066	-0.098023705	-0.50014645	-0.09217417	-0.65824693	-0.31675273	0.22797203	-0.3533571	0.05019364	-0.48829103	0.9928728	-0.12513615	0.122533016	-0.53234386	-0.047621578	0.2457572	-0.96695155	0.2007971	0.08244678	-0.05523845	0.4448713	-0.99998736	-0.030833727	0.8248699	0.13832152	0.40773588	0.15397517	-0.083975166	0.011881582	0.8284691	0.08988692	-0.2621181	0.9084205	-0.36977887	-0.2586785	0.515631	0.041249055	0.48510194	0.9894598	0.098484576	0.8434404	-0.98362297	0.050415937	0.09154374	-0.12006109	-0.6031347	0.08666157	-0.24372695	-0.07542269	0.17187367	0.41308153	0.45624402	-0.3196533	-0.13943903	-0.34202182	0.24855532	-0.83166844	-0.45774797	-0.12600459	-0.02959712	-0.51392096	0.52943534	-0.8896065	0.38120034	0.15420137	-0.7406642	-0.31615236	0.35030937	-0.14812548	0.27106482	-0.14943615	-0.52918977	0.5597415	-0.051595014	-0.19647762	-0.07540786	-0.53559345	-0.6790471	-0.63098097	0.23505434	0.43451682	0.5499775	-0.6822611	-0.74237937	-0.7208255	0.23289482	-0.45429617	-0.29095948	-0.29213065	0.4438255	-0.9982676	-0.7750611	-0.43027624	0.386209	-0.3775301	-0.084849454	-0.11208039	0.4581214	0.25679094	-0.11453403	-0.02413351	0.002237841	0.22957458	0.50719726	0.30578497	-0.93355393	-0.15927587	-0.21562767	0.29690647	-0.19061251	0.45041338	-0.056471776	0.27877602	0.6411484	-0.40512964	-0.24721198	-0.34404716	0.14575621	0.36974987	0.4960286	0.14802067	0.84732753	-0.567193	-0.30929884	-0.19385238	0.13974679	-0.6780729	0.12628134	-0.107611045	-0.46680573	0.026845882	-0.2042142	-0.97355276	0.27601692	0.28768978	0.7812191	0.5143125	0.16292424	0.44973046	0.226634	0.064084314	0.021678565	0.73502666	-0.044937704	-0.40952277	-0.06715745	0.3854366	0.51563525	-0.2717559	-0.32090074	-0.44758362	-0.13724878	0.6125992	-0.19259976	-0.58094466	-0.6132479	0.5122974	0.094426	0.76945907	0.05782272	0.6289104	0.47567376	0.99962306	-0.060993567	0.38999954	-0.26813927	-0.2539519	0.119422585	-0.90421146	-0.9605009	-0.44277534	-0.12127642	0.9984852	0.22294503	-0.43463102	-0.20541008	0.17358564	0.99999076	-0.70621234	0.21019575	-0.2337083	-0.5156388	-0.06266134	-0.14981762	0.29698625	0.6884961	0.41755974	0.7476802	0.035521228	0.85537565	-0.48037308	0.008854447	0.093051024	0.33817375	0.40343165	0.511798	-0.67500275	-0.42337444	-0.1517063	0.80819774	-0.54240453	-0.3426023	0.29913574	-0.54054856	-0.08359362	-0.2699619	-0.36106524	0.45982176	-0.59485245	-0.06634544	-0.10243142	-0.14022505	0.57137793	-0.41412875	0.5248463	0.2372051	-0.86512756	-0.19047089	0.009491422	-0.51003534	0.15341404	0.56324863	0.23011188	-0.010873987	0.5585529	-0.5657616	0.3587746	0.5308986	0.14037569	0.06784354	0.5802567	-0.9929853	0.69370514	-0.37674052	-0.37266225	0.24224287	-0.2955599	0.5416481	0.9992592	0.072525255	-0.29054397	0.32184115	-0.32429227	0.1905084	-0.25925618	-0.17132823	0.44332618	-0.05129411	-0.18147203	-0.17703019	-0.17648974	0.07931693	-0.046199888	-0.5782935	0.4892614	-0.11367992	0.9981598	-0.14898196	0.40197253	0.45317268	-0.454618	-0.48090756	-0.6262062	0.16795065	0.5327187	0.36144197	0.6251915	0.6660885	0.13171057	0.3732485	0.4529693	0.5742802	-0.13644797	-0.13911009	-0.24817888	0.5418794	0.04289869	-0.26163647	0.55981815	-0.7279735	0.60777795	0.63330805	0.0779902	0.61553943	-0.6475998	0.15558568	0.67419577	-0.5196834	0.3517346	-0.051487774	-0.25089929	0.36033726	-0.6621545	-0.40684307	-0.14031132	0.029795436	-0.35257137	0.9882596	-0.097208776	-0.9776089	0.048659723	0.9990453	-0.1276785	0.2702531	-0.988128	-0.21037686	-0.5371707	-0.54429466	0.08268701	0.12664738	-0.1879292	0.07339344	0.7951136	0.5423532	-0.570027	-0.3697026	-0.25306916	0.41914234	0.05200927	-0.99997085	0.99286455	-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420	1	C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)C(C)C1	-0.3039694	-0.13834134	0.41402623	-0.32414904	0.49697477	0.5595433	0.31784672	0.44622743	0.32720053	0.6161457	0.5344201	-0.58560216	0.16873728	-0.096162274	0.3340963	-0.6903081	0.4206362	-0.42923543	-0.008474114	-0.58489186	-0.225395	0.7903944	0.55214876	-0.31506196	-0.6894854	0.79050314	0.2501986	0.17378129	-0.33842286	-0.5041549	-0.13928251	-0.28346768	0.12716681	0.4588577	-0.38495147	0.90856403	0.24351704	-0.06595672	0.99979055	-0.18606845	0.9765218	-0.506875	-0.05707006	0.036718532	-0.34775054	0.9995372	-0.4716207	-0.06759684	0.3137688	0.52117693	-0.46146226	-0.47796863	-0.45563772	-0.5621748	0.6296571	0.08668914	-0.6540353	-0.9990016	-0.78664696	-0.25573662	-0.05390169	-0.26426324	0.16940263	-0.19606096	-0.035914656	0.11724912	-0.012872867	-0.011821806	0.5111696	0.05414012	-0.9925036	-0.47283077	0.24650687	-0.82557064	0.622581	-0.07720862	0.10775703	-0.21260409	0.7227926	-0.99766266	0.4152936	0.30871603	-0.9893427	0.09146291	-0.760886	-0.8745358	0.6433227	-0.66561157	-0.28113958	0.40176135	-0.75214183	-0.43169072	0.541807	0.104199044	0.99979824	-0.6024989	0.17398828	-0.1690643	-0.4215699	0.060453154	0.074776694	0.032222908	0.671314	0.3735054	-0.99997705	-0.88764507	0.011130386	0.10913215	-0.9008937	0.2963028	0.41446418	0.5899657	0.009756142	0.8155257	0.5971484	0.3373369	0.83018905	0.06054844	-0.99113905	-0.55382925	0.045207173	-0.16795819	0.34899285	0.5907276	0.3153547	0.6527632	0.018107858	0.15656582	0.70541173	0.9986748	0.4296865	0.18081942	-0.026609616	0.21442607	0.08264091	-0.9585757	-0.2621776	-0.0451859	-0.1035904	-0.8887395	-0.99999964	0.028855894	-0.8883507	0.8379385	-0.0223474	-0.49183673	-0.27018207	-0.33295518	-0.99999744	-0.31488368	-0.3165037	-0.058921695	-0.74384457	0.12823811	-0.24106993	0.8272601	0.16778962	-0.9999728	-0.7997627	-0.9225743	0.99561334	0.6157588	-0.69846684	-0.26533368	0.7004148	0.8352551	0.39156947	0.79458976	-0.030307112	-0.2029545	-0.38469514	-0.6307163	0.13403587	-0.002166524	-0.10504361	0.8496204	-0.34439206	0.87783	-0.4090339	-0.1351386	-0.36815056	-0.9053279	-0.6124157	-0.5489108	0.99089646	-0.5593459	-0.39418656	0.28291416	-0.9152499	-0.642834	0.7711765	0.672061	0.49642637	-0.4571551	0.5189267	-0.7614488	0.39006725	-0.90991616	0.107299365	-0.7782515	-0.84013146	-0.5306361	0.5009154	-0.65719473	0.111373514	-0.34071332	0.53529143	0.035417598	0.5729241	-0.99923456	0.3425662	0.4456647	0.028225895	0.7191172	0.18224919	-0.056561317	-0.15010135	-0.2756512	0.45936728	-0.79814094	0.10714475	0.69088197	0.08710337	0.39943606	0.9776382	-0.23413211	0.29665297	-0.42119956	-0.32831702	-0.053716894	0.22663802	0.072931856	-0.00680432	-0.030154107	0.12727177	-0.29756653	-0.05201502	0.32902274	0.027232267	-0.7365585	0.62222266	-0.07944433	-0.32432944	-0.71520483	0.60457444	-0.43767595	-0.040074546	0.18478797	0.34884447	-0.016565697	0.36985344	0.36788192	-0.6700187	-0.5879177	0.09141707	-0.48314354	0.092234865	0.64153355	-0.3978413	0.1453689	-0.41114545	-0.66236234	-0.49941498	0.60755444	0.3933106	0.1593005	-0.3645351	0.68929166	0.81079906	0.4207003	0.5594848	0.999942	0.23632883	-0.520401	-0.26966342	-0.8388122	-0.62080455	-0.15660723	-0.62234	-0.63488024	-0.84424907	-0.9782284	-0.09527167	-0.82791346	0.3861807	-0.4432334	0.21187875	0.9373986	-0.33071166	0.34235954	-0.4433524	-0.99975467	-0.51628333	0.8198911	-0.2610204	-0.2912807	1	-0.9649922	-0.32792035	-0.5651857	0.4085901	0.28559548	-0.35345975	0.045988847	0.69756776	0.49915302	-0.99997365	-0.4334434	0.54220706	-0.7108221	0.072523996	0.015174938	0.590378	0.1624507	0.0634754	0.3238842	0.5763182	-0.76053834	-0.89599067	0.42525646	0.25887197	0.5332268	0.031252246	-0.68916905	0.02928534	0.6302237	-0.048178237	-0.2948554	-0.23338057	-0.71830857	-0.5808799	-0.036450747	0.13602494	0.03615799	0.38324827	0.4795309	0.15325323	-0.4257655	-0.077113815	0.014700172	0.5326812	0.5741444	0.5518886	-0.74605036	0.03346705	-0.19578	0.09379988	0.5662857	0.37143895	-0.99888283	0.9966803	-0.6731351	0.52959675	-0.7943706	0.4842987	0.1586475	-0.29092607	0.9970215	-0.34337497	-0.2754608	0.21072105	-0.1631048	-0.3575509	0.39539948	-0.8104152	0.5997332	0.28058624	0.68047035	-0.12832609	0.07019496	0.32441452	0.52617776	0.38296366	-0.9769242	0.000536458	-1	0.049674448	0.2559967	0.028367901	0.837941	0.7580075	0.31189942	-0.5289161	-0.4326026	-0.5621925	0.3580084	0.29886752	-0.18066669	0.17517857	-0.5390461	0.44034588	-0.345413	-0.33443344	-0.108150475	-0.54130346	0.44349682	-0.56979024	-0.8231484	0.32481328	0.20329663	0.9951223	-0.40232024	-0.6725417	0.0141747	0.19143559	-0.53141963	-0.304085	-0.6236305	-0.28615543	-0.27258074	0.4839556	0.3007419	0.37278536	0.8120552	-0.2605807	0.18104486	0.9988176	0.63059354	-0.95781153	-0.5392997	0.99849176	-0.75633025	0.29084933	-0.99894613	-0.12978664	-0.94825876	0.59437627	-0.3384869	-0.50633836	0.02455715	-0.21561566	-0.7783982	0.48031303	0.2643584	-0.6198041	0.46353963	0.48659083	0.46441397	-0.7035356	1	0.9964539	0.24007614	-0.6252793	-0.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434	2	Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21	-0.72283417	-0.27357993	-0.51850814	-0.71660334	0.094406955	0.22683594	0.22971895	-0.19174476	-0.4657879	0.3133468	-0.66288626	-0.6358475	0.71306956	-0.063020416	0.1815842	-0.21144846	-0.41963062	-0.15627155	0.44837564	0.35351077	0.51401913	0.05567053	0.7180207	0.65554994	0.6885362	0.5550787	0.6864296	-0.50467396	0.5292746	0.03137203	-0.14943291	0.027766231	-0.76958704	0.3609968	-0.7039883	0.07636827	-0.6127314	-0.5782973	0.99951535	-0.24890709	0.81808424	0.52759904	0.6892318	0.2537841	-0.25771096	0.29269844	-0.34051368	0.66386384	-0.8162658	0.6112563	-0.027762419	-0.40888408	-0.004519344	0.54839104	0.38750875	0.09719024	0.17271934	-0.7668964	0.028717723	0.2747224	-0.6085594	0.40681535	0.6505612	0.321966	0.26701704	-0.3605607	0.03026893	-0.67934746	-0.22486942	0.26566157	-0.99532527	-0.97402644	0.45373383	-0.8785922	0.5837083	-0.41597128	0.10727956	0.33473888	-0.07296408	-0.99828386	-0.6301911	0.6618559	-0.9552344	-0.1729122	-0.7361167	-0.722759	0.21357448	0.092080414	-0.23408417	0.109569184	-0.010628676	-0.5629632	0.19316122	0.5570937	0.99957633	0.07476876	-0.22398832	0.19526	-0.068907775	-0.10996263	-0.50345564	-0.12542732	-0.48988742	0.73139447	-0.99821967	-0.78946894	0.38213658	-0.24176466	-0.99999636	-0.10284079	0.09866771	-0.059721958	-0.35235274	-0.23340185	0.5131938	0.3803879	0.5257574	-0.11535827	0.96251225	-0.30294642	0.7855562	-0.2791665	0.25674865	-0.3319889	-0.4622028	0.28237355	-0.068904944	-0.59170306	-0.045633048	0.99791205	-0.018008525	-0.06458781	0.7513904	-0.6343098	-0.18653971	-0.9584922	0.46284172	0.7393864	-0.096425265	0.49655867	-0.9999989	0.32670423	0.33616716	0.037122656	0.042968463	0.8840721	-0.06290188	0.41086656	-0.98272586	-0.3132677	0.7856227	0.8178784	-0.50565666	0.15929958	0.66781414	-0.7270104	-0.53241223	-0.83447367	-0.677301	0.9271607	-0.469761	-0.7443347	-0.8247463	0.6254541	0.18862335	0.000489876	-0.6228688	-0.35730907	0.3286169	0.49931887	-0.18531083	-0.40031403	-0.6733341	-0.115636684	-0.035912376	0.3897454	-0.48734844	0.3885121	0.10496322	0.074962534	0.4341255	-0.90850663	-0.048685372	-0.2296068	0.7463752	-0.6308631	0.47482428	0.23675342	-0.38103998	-0.63872457	0.90245515	-0.5705662	-0.38831604	0.029210964	0.05369821	0.043595996	0.12416362	-0.17876782	-0.059178594	0.33133304	-0.6253715	-0.6285875	-0.08360825	-0.25721666	-0.26492226	0.5487086	0.09319638	0.49839944	0.5465301	-0.9998687	-0.13111018	0.5601199	0.36011055	0.08149962	-0.056795932	-0.07388936	0.23392694	0.11159327	-0.19394408	0.41936192	-0.015800064	0.24420385	-0.5472701	-0.038274255	0.99818695	0.32942125	0.18151695	0.569887	0.04291505	0.30348712	-0.60475457	-0.25709677	-0.326629	-0.3861444	0.6670282	-0.44292885	-0.41490722	-0.27547678	-0.4291436	0.3862263	0.88017726	-0.20835139	0.77654254	-0.51469743	0.26548204	-0.037845615	0.46437123	-0.18066849	-0.21293059	0.17132892	-0.23148915	-0.7049854	0.13961026	-0.13322496	-0.44444782	0.27462906	0.31284034	0.55353135	0.10576612	0.4083601	-0.31044066	0.08245252	0.4515122	-0.40024972	-0.6253837	-0.7765809	-0.02216729	-0.3548854	-0.16082706	0.5768587	0.43228272	0.9994006	-0.18286656	-0.48828834	-0.686504	-0.014999687	0.023609407	0.6067811	-0.63362783	-0.3038633	-0.07427157	0.9800803	0.6333354	0.24656515	0.52963656	0.50304794	-0.08354961	-0.72905326	-0.99846536	0.53052545	-0.25987357	0.51292574	0.602512	0.7914826	0.86930823	-0.27664042	0.9999989	-0.9335329	0.12573119	-0.008481492	-0.7605229	-0.19392517	-0.32184872	0.6180918	0.8106435	-0.22360158	-0.9954924	0.08582486	0.11653719	-0.036915924	0.2982189	-0.0274601	0.015249931	-0.5443139	0.18766691	0.46195212	-0.33557364	0.32011035	0.9999526	-0.09894381	-0.040681712	-0.39486927	-0.41591504	-0.3428647	-0.027520409	-0.163748	0.11902764	-0.23686941	0.4155449	0.44644806	-0.53968215	0.31818783	0.0590717	0.46951076	0.85677296	-0.18060079	-0.4805046	-0.52208996	0.38241562	-0.29342815	-0.34193078	0.38469404	-0.011471896	-0.40235212	-0.85734445	0.000592928	0.030437296	0.17702451	0.42337906	-0.9224	-0.5989977	-0.37966794	0.48112226	0.5743202	-0.10057527	0.002166452	0.3720121	0.9989549	-0.29022452	0.23268896	-0.24843305	-0.011665942	0.22966938	0.59971714	-0.6979847	-0.7484788	0.14621693	0.52130353	0.8110756	-0.36666462	-0.28380585	0.5791579	0.69823486	-0.8443984	-0.68301815	-0.99677086	0.52279776	-0.4100278	-0.6232816	-0.446752	0.009778194	0.061765067	-0.8629492	0.21617262	0.052698348	0.28341928	-0.6572946	0.12667152	-0.43108878	0.6950274	-0.25362006	0.46112314	0.2704792	-0.54638296	0.46079507	-0.3839159	0.5840594	-0.009787957	-0.03842862	0.21068469	0.9467237	-0.63435477	0.42710266	0.2880442	0.46561012	-0.4690855	0.6384866	-0.6422088	0.5793261	-0.08163393	-0.023360744	-0.48312336	-0.07504258	-0.13623816	0.7068359	-0.38020906	-0.95015746	0.20845911	-0.97727257	-0.1482741	0.99970967	-0.7307324	0.534779	-0.840792	-0.035504032	-0.19636235	0.20725884	0.09872172	-0.6236996	-0.50890654	0.57250136	-0.104692325	0.45836768	-0.1583109	-0.44327295	0.05423747	0.23539014	-0.17354766	-0.99990493	0.9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435	2	O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl	-0.7684446	-0.5799336	-0.57097	-0.024909345	-0.50140035	-0.40874207	-0.30595845	0.36751726	0.49372214	-0.09991423	-0.76571995	-0.3694032	0.088914014	-0.32991204	-0.40428698	-0.19728726	0.099366516	-0.04210692	0.46832913	0.036117956	0.251938	-0.6933036	-0.13272825	0.050017655	0.16773193	0.7524397	0.15052497	-0.075689524	0.42164022	-0.56312793	-0.36283305	0.4845653	-0.25336704	-0.20230375	-0.3232052	-0.48544687	0.26291347	0.4482849	0.980949	-0.8946101	-0.9837515	0.13617481	-0.19967523	0.17194846	-0.23091593	-0.95491934	-0.36384767	-0.13721201	0.026076214	0.17519505	-0.023634627	0.38873938	0.055497058	-0.4410955	-0.8585886	0.3173308	-0.5143829	0.56669676	0.115203224	0.3409755	0.2871414	0.6180888	0.2339185	-0.057421807	-0.26119733	0.09304679	0.009095466	0.53816473	0.1951741	0.3509808	-0.8763797	-0.5985665	0.2593697	-0.7528855	0.6226262	-0.29389092	0.0970498	-0.24637705	-0.34943563	-0.99488103	-0.5101944	-0.03631252	-0.8348604	0.01768298	0.459802	-0.93236905	-0.10299125	0.06784627	-0.54655606	0.5272506	-0.27981308	0.5460433	0.5132517	0.5419054	0.9801104	-0.35730803	0.6025476	0.25913763	-0.025686337	-0.20204374	0.8198849	-0.2867393	0.13879083	0.80177945	-0.66356015	-0.029275239	0.26551744	0.5843875	-0.999181	-0.36858565	-0.3519697	-0.20851226	-0.031142447	-0.12018787	-0.02050187	0.5230217	0.76615906	0.47186148	0.99746287	-0.12826203	0.22652026	0.09074573	-0.047448725	-0.037465885	-0.46364307	-0.24194318	-0.005693753	-0.01953101	0.08208955	0.9999672	0.15324411	0.07035511	0.6258639	-0.50346947	-0.28810623	-0.91571915	0.20713662	0.85120225	-0.7017848	0.6389091	-0.99990684	-0.22342439	0.96426594	0.25129884	0.19267136	0.028573712	-0.18552883	0.32164538	0.7818068	0.19834039	-0.4163784	0.35159487	0.16135016	0.4402313	-0.54606795	0.33363715	-0.6270555	0.9493105	-0.76819265	0.6165386	-0.9345563	-0.25099763	-0.30431515	0.08743782	0.29501414	0.161409	0.24127242	0.5592944	-0.6309978	0.488653	-0.29017612	-0.40098643	-0.11786523	0.4995872	0.4663833	-0.968133	-0.8191868	0.2832092	-0.36819288	0.6690957	-0.08604707	-0.68664193	-0.32919472	-0.04710437	-0.66534966	-0.6546276	-0.121373214	-0.25351033	-0.10640248	-0.10787596	0.43252528	-0.34281167	0.53018856	0.28479883	0.23902091	0.37620726	0.77902186	-0.35910437	0.43335295	0.4522133	0.500325	-0.045266543	-0.4875825	0.457312	0.7793846	-0.15490237	0.5500585	-0.43937677	0.34510255	-0.9992988	0.23286445	0.60206896	0.61276734	0.28165445	0.1512783	-0.26601386	-0.12340709	-0.3878942	0.43310893	-0.18050912	-0.15312716	0.089884944	-0.875229	-0.34043488	0.9901444	0.27855498	0.424172	0.16121994	-0.39545405	0.10739404	0.50766516	0.10252898	-0.29694656	-0.5927615	0.530295	-0.24962091	0.06102987	0.14936058	-0.62743914	-0.58774424	0.93815684	-0.25682428	-0.22581513	-0.3971098	0.56647444	0.014899088	-0.00622201	-0.005778952	0.33137637	0.13619365	-0.044167545	-0.97979647	-0.61564296	0.64345276	0.09441295	-0.32519022	-0.40232503	0.6039227	-0.47543123	-0.1599198	-0.18273641	0.15100521	-0.2998279	-0.58416283	0.8504657	0.114277795	-0.4356447	0.11957594	-0.011298063	0.52299	0.013987098	0.5414861	0.06760571	0.24179111	0.52553225	0.8011235	-0.28837723	0.30429605	-0.28329659	0.2503933	0.22048646	0.9991379	-0.114515886	0.22008671	0.34548974	-0.123189196	-0.40044028	-0.38643363	-0.5270321	0.13585156	-0.010294959	0.99408853	-0.45071545	0.64464045	0.059403304	0.40963048	0.99995136	-0.99382746	0.029637037	0.27610043	0.667615	-0.14746477	-0.41863787	0.33814445	-0.06710007	-0.6280153	0.11892587	0.15555157	0.18638264	-0.049287375	-0.12679183	-0.55550766	0.11958222	0.5027423	0.55524933	-0.4076247	0.5292266	-0.2922929	0.94013214	0.32051387	-0.22908136	0.67290604	-0.10177505	-0.81310874	-0.65882474	0.09217357	0.65274626	-0.97987926	0.5792998	-0.26797646	0.36943966	0.11526023	-0.15261854	-0.1888575	0.63547885	0.7196857	0.38288698	0.1633625	-0.19063957	0.680833	0.28115708	-0.32278332	-0.38077554	0.49088556	0.51099384	-0.5607172	-0.26927024	0.58892256	-0.64318246	-0.17892486	-0.9913415	-0.10958669	-0.3257151	-0.21351247	0.47270522	-0.05450681	-0.8934262	0.9996165	0.34207597	0.026214132	0.6643253	-0.39629745	0.07460616	-0.035971772	-0.9128444	0.100670144	0.61456054	-0.42674524	-0.29246283	-0.33479288	-0.4670963	-0.3273105	0.3743113	0.65061873	0.31889677	0.9995477	0.25834543	-0.59007937	0.079965115	-0.35474703	-0.3467985	-0.020474289	-0.35737234	-0.22913952	0.27365452	-0.21454735	0.24374159	-0.12643908	0.09594306	0.6882199	-0.48964462	0.2303878	-0.81148946	-0.20984489	0.35416603	-0.33056608	0.2305966	-0.305071	-0.2789323	-0.22671294	-0.54573923	0.041289125	0.20067686	0.09957286	-0.48074025	-0.26094663	-0.20304568	-0.5145515	-0.013264642	0.77132016	0.5232657	0.45495397	0.52431333	0.26532784	0.43616048	0.21012908	0.95966417	-0.012877664	-0.9903184	0.17896418	0.9995619	-0.6660776	-0.11715709	-0.9799564	-0.018408695	0.5349497	0.31113416	-0.5852181	0.18887348	-0.05115885	0.65443933	-0.66996694	0.20037274	0.42020887	0.23760098	0.035986993	0.70389366	-0.6539613	-0.99998605	0.9851398	-0.8932219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465	1	NC(=O)c1cn(Cc2c(F)cccc2F)nn1	-0.78407604	-0.022405403	0.5732999	-0.36075422	-0.23528655	-0.14299999	-0.116649225	0.04462927	0.15983318	-0.5847531	-0.22462155	-0.39115667	0.21514419	-0.20149748	-0.09258843	-0.05642108	0.42431387	-0.6195975	-0.21404575	-0.44986993	0.579079	-0.4119126	-0.6607793	0.1847249	0.077542074	-0.7042333	0.59185654	-0.023989098	-0.29695827	-0.45809236	-0.36645737	-0.07908816	0.5978064	-0.45130575	-0.32966945	-0.031033462	-0.18757577	0.096890554	0.94406337	-0.16188478	-0.9974851	0.51513416	-0.25556728	-0.66393864	0.117786646	-0.98280764	0.07852626	0.25211862	0.13316917	-0.111726396	-0.3401511	-0.18075494	-0.54965025	0.087887436	-0.5212307	-0.17661427	-0.42323574	0.6710924	-0.1729823	-0.23496805	0.30628002	-0.05889691	-0.2108892	0.41745543	0.32901785	-0.48186168	0.229521	-0.1586761	-0.2205921	-0.11304022	-0.8061152	-0.99934	0.6031876	-0.58696413	-0.7349609	0.47616223	0.101918824	-0.25770196	-0.018370464	-0.9997647	0.5951227	-0.04437518	-0.92726487	-0.069405474	0.14355151	0.19323608	0.56870115	-0.3436514	0.30140305	0.718954	-0.50499535	0.09204988	-0.23362857	-0.16702345	0.99719286	-0.28070882	-0.69233805	0.06287437	0.72179264	0.43589705	0.049178485	-0.6324169	-0.51085204	0.8703595	-0.15748839	-0.9232445	-0.15140451	-0.20189287	-0.9287336	0.20358261	0.033286907	-0.006270212	-0.21301848	-0.1765778	0.5146622	-0.18641008	0.54682565	-0.3402112	0.9992073	-0.41079	0.355411	0.74924815	-0.6965731	0.32919604	-0.33288124	0.15528908	-0.32600728	-0.029139703	-0.14000711	0.98929816	-0.333974	-0.30351725	0.5332334	-0.03388261	0.1509364	-0.8891293	0.21871686	0.22460714	0.085575804	-0.72545385	-0.999924	0.11563808	0.8169028	-0.024444547	0.39861992	0.2977121	0.34205768	-0.21965796	0.9275328	-0.030660285	-0.5774389	-0.3301582	-0.70067596	-0.07290956	-0.2847761	-0.062265445	0.32347703	0.9898743	0.32980454	-0.3617051	-0.9906484	0.5166632	-0.36173406	-0.66086096	-0.08354165	0.34901708	-0.6567675	0.165956	-0.4212783	0.44141945	-0.5326461	0.1471093	-0.17109258	0.47308445	-0.10681144	-0.6590395	-0.49236375	0.09157686	-0.31658632	-0.031217555	0.11689785	-0.974071	-0.62434393	-0.16766892	-0.662822	0.049641356	0.6826919	0.13954516	0.14495353	-0.41006997	-0.41216534	0.043239173	0.47175863	-0.0637049	0.2869106	0.41080084	0.18733352	-0.21126215	-0.19347684	0.005480914	-0.06404271	0.103147745	-0.4962716	0.13633378	0.22270778	0.4666819	0.4749681	-0.6207339	-0.22270778	-0.99834347	-0.015604552	-0.11373865	0.34231016	0.25202194	-0.63986313	0.6825534	0.2278934	0.04333154	-0.12911084	-0.23486125	-0.49845508	0.52704215	0.7142884	-0.1276702	0.99496996	-0.13009313	0.29280108	0.6183734	-0.048930705	-0.39559665	-0.5089077	-0.119169205	0.2622353	0.20529431	-0.37111834	-0.42881814	0.32325134	0.4900047	-0.22872263	-0.40904695	0.7936064	-0.19425055	0.15659446	-0.090459734	0.16353293	-0.12326943	-0.054837555	-0.21684028	0.24508111	0.35426787	0.3819619	-0.9764648	-0.013396061	0.74826306	-0.14029464	0.8353367	-0.47418723	0.5105662	-0.68981606	0.32127303	0.20725767	-0.20074362	-0.81258154	-0.2358433	0.7310571	0.21520697	-0.16947673	0.6086913	0.21629246	0.43747333	0.085406125	0.3078265	0.2004024	-0.19723731	0.30868623	0.8268207	-0.12850976	-0.20060937	-0.2622565	0.00254889	-0.18646958	0.99973863	0.4915688	0.29060948	0.6931998	-0.100755565	-0.50074106	-0.7318558	-0.4294704	-0.4272652	0.123670965	0.99860764	0.42530605	0.41200432	-0.30405918	0.14164187	0.9999476	-0.6671156	-0.2743465	-0.29295257	0.44225496	0.28244472	-0.5587181	0.5273321	0.93874454	0.6799283	0.7428196	-0.510458	0.34142888	-0.16412811	0.19848476	0.28683272	0.23544057	-0.5226401	-0.028730636	0.56749624	-0.11799117	-0.6559303	-0.9497817	0.15561666	0.37048593	-0.3042773	-0.39631033	-0.17879744	-0.120047614	0.2426742	-0.07461116	-0.60864073	-0.26082253	-0.6155837	-0.20778887	0.2555613	-0.635149	0.16293094	0.37050524	-0.9176356	-0.28181428	-0.24586947	-0.12787779	0.11406908	0.19459337	0.18133724	0.41664034	0.2948591	-0.005371231	-0.36927328	0.16977915	0.64832836	0.27060178	0.5272565	-0.9931661	-0.5125635	0.46273273	-0.1845956	-0.3867206	-0.13206348	-0.39643246	0.99885267	0.36586335	-0.01578448	-0.5354189	0.39448082	0.6472799	0.15169798	-0.21257345	0.72211593	0.4380652	0.00933707	0.48193437	0.28102532	-0.367815	-0.17659082	-0.22588716	0.5123462	-0.21709369	0.99831563	0.09582784	0.32659313	0.2544394	-0.226041	-0.46854916	-0.48300105	-0.17313342	-0.2398928	0.44230294	0.76639354	0.44491234	-0.05957587	0.38828808	0.75761133	-0.14954402	-0.59615123	0.5934158	0.016428482	0.422165	0.24906807	0.6335782	0.59906745	0.4124621	0.6917546	0.54508	-0.07246521	-0.4372835	-0.71894276	-0.3710177	-0.016033385	-0.78482836	0.6266409	-0.03993603	0.16398491	0.5054546	-0.09904943	-0.27116278	0.34946293	0.03353161	0.296821	0.99996537	0.04987527	-0.9411428	-0.07446276	0.99959594	-0.61999863	0.6559633	-0.9995017	-0.15109657	-0.1784523	-0.07541368	0.50602275	0.21691129	-0.16380328	-0.21353061	0.8535389	0.5086488	-0.48007622	-0.7382148	0.124956794	0.70012337	0.04553749	-0.99999297	0.99154186	-0.9390152	0.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510	1	NC(N)=NC(=O)Cc1c(Cl)cccc1Cl	-0.8430677	0.3373974	0.20441584	0.05853346	0.122709505	-0.47186434	0.48793226	0.10215404	0.3760841	-0.4874232	-0.5512372	-0.35611558	-0.085263446	-0.61753905	0.40160534	-0.1153384	0.25186783	-0.39277354	0.38598147	0.007140008	0.7480481	-0.7378932	-0.6004822	-0.31095755	-0.70852745	0.05560354	0.673364	0.43208286	0.05788964	0.07865975	-0.37770122	0.39822328	0.61741763	-0.25652355	0.119221516	-0.22048847	-0.03381643	0.33696032	0.8980795	-0.6989459	-0.9502646	0.7524846	-0.10978118	0.01643535	0.38538927	-0.98979354	0.470036	0.53579974	0.38451344	-0.33622226	-0.49864614	-0.44474807	0.22006954	0.31059334	-0.8217211	-0.68783927	-0.6371345	0.8859839	-0.3869067	-0.29726955	0.3081139	0.46933427	-0.4465379	0.22835517	-0.0385715	0.508307	0.3492004	-0.26607987	0.70289534	-0.51073545	-0.9351108	-0.9968939	0.48481295	0.2057522	-0.23312153	0.27366057	0.7040034	-0.7173342	0.14865512	-0.9990167	-0.7311837	-0.27947465	-0.84865755	-0.52142495	-0.308371	0.20550913	0.19357908	-0.5730286	-0.19559786	0.6648504	-0.5716135	-0.13243628	0.32490277	0.095309205	0.99719167	0.2868518	-0.76323	-0.2708538	0.7525849	-0.36644188	0.67563325	-0.5640284	0.49811408	0.4045643	0.20936391	-0.103262916	-0.09541474	-0.50107205	-0.9996222	-0.23917909	-0.12786837	0.6683917	-0.7006747	0.095943674	0.4898757	-0.68054754	0.087971635	0.6150649	0.99928635	-0.787907	-0.5723741	0.62533236	0.015353783	0.2282311	-0.04234802	-0.4121447	-0.22848557	0.24852914	0.04347533	0.9980025	0.4706371	-0.43184736	0.25161555	-0.07253417	0.4805882	0.1925409	0.25937864	0.4407358	-0.7898975	-0.14017606	-0.9895516	0.66643	0.9381358	-0.066468954	0.45005935	0.227022	0.05815147	-0.6895021	0.90824795	-0.35101923	-0.52990216	0.1687297	-0.1266212	0.46813902	-0.30237964	0.21452585	-0.29409567	0.9937703	-0.00962373	0.31927294	-0.97292095	0.101393886	0.23024032	0.34165046	-0.27170774	-0.02249494	-0.012952378	0.30733216	-0.25912103	0.38809898	-0.70896035	-0.20644441	0.006294941	0.36191565	0.45683298	-0.9464662	-0.55248183	0.6715798	0.84463817	0.45964402	0.59811133	-0.90215206	0.43251243	-0.5116304	-0.6445828	-0.18153563	0.34441575	-0.40971148	0.17914325	-0.16011716	-0.25328824	-0.59214747	0.26070264	0.19525392	0.009408382	0.45821974	0.4546621	0.3047536	0.29813728	-0.121887654	-0.08161871	0.1502608	-0.50125766	-0.30408394	0.6357794	-0.013852034	0.39903232	-0.5267259	0.72493505	-0.9983788	0.5159547	-0.28783834	0.1179277	0.30210975	-0.18537016	0.4340325	0.19758531	-0.2958897	-0.58108133	-0.037656095	0.44403806	-0.26365653	-0.8324691	0.09389065	0.9999956	0.15591699	0.5403435	0.19469054	-0.013297762	0.30951142	-0.32176656	-0.21752642	-0.27922916	-0.42232746	0.5229495	-0.2304913	0.7220858	0.47382298	-0.70375633	-0.7373475	0.5018328	0.50014657	0.1413477	-0.8169122	0.16041376	0.32042724	-0.301177	0.1709293	0.27909172	-0.6428857	0.9592122	-0.9986123	0.4031393	0.69897723	-0.16034439	-0.28139398	0.32901913	-0.003190082	-0.852876	-0.5105856	-0.08418258	-0.28292677	-0.7458373	-0.7435289	0.90489966	0.11681487	-0.15666081	-0.10575347	-0.8793939	0.22759798	0.23323636	0.8602361	0.3928165	0.22572652	0.50158393	0.94642144	-0.26570335	-0.03534303	0.21311387	-0.2494299	0.48660526	0.9996593	-0.43314967	0.16254734	0.5798487	-0.16345851	-0.51644003	-0.73049074	-0.9793115	0.26760948	-0.07318338	0.9992019	-0.4100985	0.40126568	-0.5514716	-0.3929035	0.9944645	-0.7995146	0.48837957	-0.012586971	0.37841266	-0.07261836	-0.3836674	-0.4569187	0.6935651	0.11210226	0.93912673	0.06483849	0.5001645	-0.45106572	-0.5956171	0.13837449	0.033236273	-0.81629056	0.23780188	-0.096022554	0.58166015	-0.62450427	0.9752153	-0.14477846	0.049413882	0.6970184	0.14713679	-0.48657253	-0.37147105	-0.26668558	0.59427905	-0.8970407	-0.47193214	-0.5750509	0.4858619	0.6067777	-0.33623183	-0.32422635	0.4857114	-0.7385523	0.28764662	0.14884642	-0.58737314	0.30725583	-0.002166105	-0.61650795	0.27862355	0.6461001	0.074485146	-0.001173004	0.2087304	0.44109556	0.35104057	0.55110425	-0.994764	-0.03253852	0.72401017	-0.6531226	-0.071597956	0.5430922	-0.26216206	0.99987465	-0.043857962	0.37610808	-0.6098555	0.5235231	0.3140946	0.7461199	-0.82928765	0.06007557	0.6400495	0.2072028	-0.39250952	-0.06956809	-0.49273416	-0.00444535	-0.19682007	0.6408605	-0.21508831	1	-0.76508564	-0.08247701	0.31598476	-0.14104484	-0.88137186	0.24728578	0.46558464	-0.39059585	0.6821396	0.009320354	-0.54782146	0.11988204	-0.16376622	0.43677974	-0.34347972	-0.46821105	0.6078063	0.36071703	0.403123	-0.6937006	0.370658	0.33268034	0.35435838	0.2879244	-0.088541284	-0.019226363	-0.34643272	0.0916456	-0.6364161	0.6677699	-0.000830348	-0.7935549	-0.30340296	-0.6851166	0.7229115	0.58833677	0.68715143	0.294953	-0.63769263	0.33542606	0.89939475	0.36765638	-0.9624009	0.53861374	0.9999334	-0.6392593	-0.33549345	-0.9771962	-0.5315995	0.46108416	-0.381629	-0.006031381	-0.331331	-0.13268408	0.1997918	0.2266939	0.3377518	-0.18945277	-0.009581319	0.20163862	0.4081594	0.41553554	-0.9999891	-0.99796826	-0.9772796	0.42516103	0.020418048	-0.7429664	-0.62568325	-0.529746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511	2	CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12	-0.81650215	-0.025817716	0.7303517	0.2317294	-0.18696097	-0.013615764	0.004273524	-0.8256086	-0.5641549	-0.029596068	-0.25229904	-0.1587972	-0.10513202	-0.13927464	0.22544979	0.7298271	0.12302283	-0.03221751	-0.5271853	-0.15535213	0.10505016	-0.09573927	-0.1403985	0.2371519	0.283574	-0.08219517	-0.51267135	-0.52303135	0.084220715	-0.1370916	0.4881474	-0.22316784	0.42803013	-0.60277	-0.47018737	0.51845574	-0.100554995	0.56939787	0.9984499	0.1260821	-0.82512003	-0.13267688	0.1934819	-0.25075218	0.2840645	-0.578632	0.77670676	0.30230045	0.028382236	-0.14971748	0.18552923	-0.7630852	0.26993245	0.004494809	0.03908513	-0.68371147	0.59923595	-0.26090917	-0.7092413	-0.2574063	0.40263677	-0.015262646	-0.60352796	0.6588102	0.031662423	0.28066885	0.32146642	0.11347901	0.022645809	0.12589774	-0.96339333	-0.989974	0.22179158	-0.23122838	0.34728006	-0.08923179	0.32361424	-0.6931288	0.7780109	-0.9999436	-0.5453999	-0.4860704	-0.93007714	-0.69656825	-0.7984434	-0.6489608	0.082603276	-0.292101	0.63102365	0.685553	0.18085808	-0.35096884	0.28987223	-0.4446093	0.99787605	-0.4150473	0.28679	0.5125644	0.23677307	0.06728017	0.3699533	0.42449132	-0.1117643	0.85625005	-0.98383147	-0.028512312	0.019139413	-0.6209522	-0.9922668	-0.5821003	0.8570122	0.18668741	-0.06734956	-0.02324022	-0.093321554	0.042516444	0.42817187	-0.6687559	0.987989	0.501401	0.24917902	-0.7963618	0.53388	-0.42988056	0.26370317	-0.0891221	-0.11821918	0.576135	0.09747588	0.998956	-0.35429272	0.63658994	0.77094513	-0.6763859	-0.019134391	-0.9863955	0.54648775	0.6761302	-0.20455757	-0.400198	-0.9999198	0.42270163	0.7144118	0.35087976	0.6031601	0.709168	0.08063087	0.2950906	-0.78523	-0.05036033	-0.41959164	0.14915194	0.06289354	0.77583843	0.5686488	-0.5694735	-0.6010884	0.19500071	0.041208528	-0.27957273	-0.7492635	0.15614435	-0.02710388	0.6781001	0.47257674	0.15319341	-0.6285148	0.36493742	0.39378646	-0.26595047	-0.410063	-0.621663	0.16082492	0.4919086	-0.42589256	-0.9337004	0.61377364	-0.22728616	-0.12279257	-0.21352644	0.48827636	-0.9498241	0.44005084	-0.50367403	0.031932846	-0.6302237	-0.15777954	0.4440604	0.5805256	0.6791823	0.50009876	-0.8089611	-0.16770537	0.5161494	-0.032185875	0.17581291	0.5320113	-0.77709985	0.71610576	-0.25776136	-0.02654091	0.26189962	0.015782585	0.74690855	0.007160131	0.21566463	0.76261675	-0.41085577	-0.65720135	-0.99975884	0.5254633	-0.49011704	-0.4250978	-0.120079204	0.8406642	0.063992016	-0.43826336	0.20278211	0.15001391	0.44851092	0.001112174	-0.4235401	-0.8227916	0.5358185	-0.9848788	-0.2750462	-0.059706904	0.3470262	-0.594082	-0.6290675	0.21237507	-0.39238644	-0.83595634	0.7329911	0.38714153	-0.7569987	0.08525495	-0.22987549	-0.009537248	-0.20467657	-0.97817075	0.28669712	-0.012484716	-0.35137278	0.04010371	0.2061579	-0.7519368	0.24252826	0.1857388	0.4995663	0.13084508	-0.75214815	-0.20193848	-0.24653251	-0.4676174	-0.006288298	-0.44403678	-0.40499517	0.16580154	0.006555794	-0.6830461	-0.57563204	-0.77884746	0.39912638	0.283026	0.31865385	0.08426293	-0.13948338	0.7209287	0.10959539	-0.081865534	0.9894227	-0.23175962	0.4384962	-0.27547225	-0.6737893	-0.052309956	-0.14945117	-0.5944293	-0.20199075	0.16610955	0.9978835	0.13525353	-0.20601498	0.26385263	0.07974745	0.0835244	0.49772182	-0.013871267	0.27318594	0.13061956	0.9285597	0.45867	0.46076435	0.59958535	0.37848416	0.9999902	-0.95304805	-0.47964358	0.13126297	-0.42568886	-0.49089262	0.03883855	-0.66391855	0.3237102	-0.57186145	-0.9196287	-0.5251847	0.5541943	-0.6285185	-0.32849512	0.16622064	-0.56753314	-0.32210165	-0.41622463	0.1652865	0.77180815	0.34748882	-0.8890254	-0.038190603	0.023951117	-0.46453145	0.22744282	0.25980642	-0.17568421	-0.074759506	0.14105575	-0.7953984	0.6096755	0.48321614	0.42907614	0.26051438	0.58627164	-0.4712585	0.3088316	-0.19481835	-0.63374007	0.46969107	0.5124191	-0.17557517	-0.24254173	-0.093133666	-0.12564577	0.32326317	0.5050032	0.43960592	-0.3855774	-0.5330164	0.15485428	-0.8606637	-0.9573649	0.3391218	-0.14384696	-0.024137195	0.2890544	-0.6733833	0.46650553	0.9998436	-0.19162399	-0.4417554	-0.4962052	0.40260026	-0.49992788	0.6669462	-0.51635647	-0.42032728	0.007516776	-0.33068332	-0.14404312	0.4793572	0.03617606	0.07286283	-0.13180259	-0.023352941	-0.23955761	-0.98234737	-0.62347186	-0.36231297	-0.49945983	0.3774725	0.27408838	0.10148827	-0.077240504	0.18849291	0.29602125	-0.27593973	0.08609239	0.01948844	0.40859768	0.24862109	0.26032874	-0.047574867	-0.27886644	0.16995257	-0.23200673	-0.12209737	0.32431224	0.19941446	-0.09066902	-0.17804137	0.3828669	-0.8965255	0.6421747	0.010868952	-0.4304904	-0.17843997	-0.6715042	-0.7343446	-0.29035845	0.70149046	0.46761912	-0.017989727	0.5057665	-0.22272405	-0.4655541	-0.54529285	0.99984074	-0.054563146	-0.97158414	0.3504979	0.9997215	-0.6297425	0.44599858	-0.9990346	0.14194007	-0.75821966	-0.3706623	-0.29020935	0.27331954	0.47124308	0.243839	0.40328684	-0.3836981	0.38902575	0.6613347	-0.59850365	-0.4685886	0.02034478	-0.99998605	0.9999993	-0.35925278	-0.545585	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538	2	CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12	-0.64234865	-0.47777867	0.6653157	0.20921081	-0.21644194	-0.5212566	0.090593144	-0.6839384	-0.3069351	0.23260851	-0.24975102	0.17657615	-0.07054655	-0.7857723	0.47003517	0.815166	0.1710434	0.48770076	-0.14433396	-0.5477009	0.4629258	-0.23359814	-0.12799244	0.48537672	-0.47128618	-0.2777209	-0.28798747	-0.4466362	0.07492315	0.38250875	0.43764478	-0.49022245	0.17738803	-0.90859765	-0.39062068	-0.12098408	-0.4975052	0.39226845	0.9995096	-0.24202164	-0.34747195	0.32214993	-0.24818501	-0.17414504	-0.19609267	0.13245007	0.6817309	0.30730158	0.43543553	0.16386501	0.36941466	-0.59184164	0.2828205	0.24801046	-0.4813436	-0.6197844	0.6603838	-0.61009103	-0.23207128	-0.28459165	0.22481902	0.15044913	-0.08749129	0.76784956	0.337192	-0.6480658	0.0371872	0.5678239	-0.24269931	0.5005327	-0.9179545	-0.8963067	0.22141038	-0.36514547	0.25464076	0.13281715	0.48740834	-0.6747284	0.41224244	-0.99992996	-0.56823194	-0.5842902	-0.9356971	-0.7563729	-0.86829823	-0.93364245	-0.06592064	-0.18198526	0.12213134	0.105479084	0.25320628	-0.42626557	0.09809194	-0.41324553	0.98815477	-0.21424888	0.7983433	-0.16703904	0.66423035	0.015889784	-0.21838829	0.7300113	-0.39925587	0.9865951	-0.99795055	0.10482323	0.01022396	0.24469943	-0.99427176	-0.020472258	0.69902414	0.2780127	0.51692086	-0.28508922	0.03242022	0.44728774	0.62569404	-0.39718273	0.9089216	0.2741667	0.3140376	-0.5174424	0.55780464	-0.10644533	-0.37958583	0.07685643	0.12483656	0.25602064	0.41798696	0.99985635	-0.2923041	0.57234055	0.889897	-0.33507475	-0.07400222	-0.993102	0.27206072	0.82134056	-0.5015135	-0.36383113	-0.9999972	-0.03125966	0.6641982	0.260131	0.25508067	0.61484337	-0.17984043	-0.07230004	-0.98466027	0.2770353	-0.36319646	-0.62744147	0.68875337	0.5570361	0.44815475	-0.3535623	-0.52664316	-0.77544624	0.1518148	0.047398046	-0.38011995	-0.21332061	0.10571567	0.4948288	0.71886873	-0.10822895	-0.6167917	-0.15945019	0.23994793	0.44795793	0.024373364	-0.38892856	0.25436965	0.25564227	-0.32583356	-0.9509491	-0.027727766	0.15655947	-0.21570794	-0.38448358	-0.11516058	-0.8958406	0.5812342	-0.601661	0.2671664	-0.3524678	-0.3261547	-0.06845877	0.10038998	0.1109041	0.2688916	-0.6755194	-0.24288207	0.45952365	-0.5203263	0.5403943	0.16614214	-0.802823	0.80102074	-0.2741789	0.75966835	-0.20153494	0.058477756	0.7420242	-0.19782495	-0.36883804	0.44356397	-0.7426425	-0.59531564	-0.9999179	0.62150496	0.58196443	-0.5820573	-0.5211353	0.70599145	-0.46197885	-0.5065303	0.41137725	0.3952275	0.04875157	-0.39021584	-0.40808403	-0.7934033	0.15687025	-0.9848693	-0.12266916	0.48410022	0.35511768	-0.020542918	-0.5811403	0.51448643	-0.70488405	-0.59282786	0.32562244	-0.2926577	-0.666897	-0.19895129	-0.33701792	-0.5519515	-0.12513062	-0.9639434	0.46842718	0.005115227	0.24904008	0.2508822	-0.13758655	-0.68924594	0.31689864	0.44816744	0.51723504	-0.26367354	0.005768578	0.005866659	0.2015174	-0.21620011	-0.09242602	0.38377407	0.3831568	0.26793823	-0.29553488	-0.600086	-0.6466606	-0.37118736	0.29696995	0.014026234	0.30672342	0.29672083	-0.44620827	0.770992	0.38472027	-0.36685532	0.9951891	-0.43270233	0.2944984	0.22080724	-0.14107168	-0.05888051	-0.58043516	-0.23673053	0.13603552	0.18026896	0.99263257	-0.26305887	0.103886895	-0.08296707	0.099733174	-0.11770652	0.8087343	-0.040295634	0.5075952	-0.090324104	0.4679796	0.86167103	-0.38323838	0.23164473	0.72274935	0.99999976	-0.9925191	-0.3153333	-0.061670866	-0.1894261	-0.23840098	-0.02977721	-0.28896296	0.3044283	-0.8350548	-0.9929962	-0.65835416	0.7607936	-0.6029639	-0.20726328	-0.09485832	-0.5972462	-0.6123321	-0.14201424	-0.49023563	0.5826537	0.6877054	-0.9352797	-0.18615457	0.028544094	0.060686786	-0.3276815	-0.41178486	-0.5891916	-0.26992393	-0.1060476	-0.8194212	0.32073775	0.7143075	-0.052420095	0.35886896	0.6784274	-0.3483941	0.49706042	0.5848922	-0.5859118	0.04815137	0.4608222	0.2145178	-0.45676795	0.10277466	-0.25313523	0.42323452	0.33127668	0.3777289	0.121085264	-0.7694428	0.27987847	-0.94395477	-0.8891152	0.31042162	-0.36655256	0.30956268	0.49761248	-0.3732055	0.6423412	0.9998782	-0.30874428	-0.52712417	-0.30809602	0.5274761	-0.25917774	0.7503454	-0.8944142	-0.596615	-0.5454292	-0.7323185	-0.18674342	0.13408847	0.16677314	-0.10129261	-0.15031612	-0.34409174	-0.08312243	-0.9999998	-0.6659821	-0.12640022	-0.55332536	0.30650777	0.36044484	0.22418222	0.10601664	-0.23179641	-0.20079598	-0.13822453	-0.13021615	-0.034722224	0.49862635	-0.13419332	0.65120804	-0.3648917	-0.5158672	0.4771603	-0.040151767	0.48147383	-0.08191413	0.15204121	-0.37056774	-0.5563101	0.44655803	-0.49673548	0.2123676	-0.34259072	0.35645732	-0.3136815	-0.5869631	-0.7181264	0.38422054	0.77951753	0.40958813	-0.7114341	-0.15844604	-0.499113	-0.2058939	-0.5236428	0.99983835	0.08263307	-0.9490103	0.31834447	0.9995251	-0.6467215	0.45429608	-0.9993978	0.61268544	-0.8412087	-0.5963833	-0.4037414	0.33710414	0.53371483	0.21644482	-0.32040235	-0.034967702	-0.18279524	0.7833052	-0.5521922	-0.60436153	0.36479083	-0.9999498	1	0.6456062	-0.4275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556	2	Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1	-0.69652134	-0.18486363	-0.029399525	0.29484254	-0.029060652	-0.16312857	-0.3076215	0.29271856	-0.20377976	-0.50414336	-0.25300318	-0.18562496	-0.102079764	0.33360595	0.59767014	-0.49871248	-0.3171476	-0.42472303	-0.7358045	-0.73409116	0.46821898	0.64668834	-0.33952475	0.27050883	0.5028104	-0.23948552	0.31278327	-0.2074012	-0.13692012	-0.13908087	-0.6468456	0.059982605	-0.16235878	0.07164776	0.13323551	0.4349409	-0.46172622	0.84521484	0.99938464	-0.23661235	-0.9430846	-0.4037312	-0.38657627	0.017628897	0.7236271	0.091051966	0.16950157	0.3344535	0.7623772	-0.22333851	0.25497815	0.4338058	-0.5717092	-0.09935408	-0.43333453	0.17079055	-0.7305609	-0.82459086	-0.058335643	-0.47668496	-0.28669935	0.5555386	-0.039676312	-0.6776073	-0.1650221	0.55777395	-0.10656853	0.5084019	0.030397	0.42428944	-0.38278297	-0.92590284	0.49032068	-0.89056736	0.57449704	0.08002417	0.6631589	-0.24213591	-0.7086914	-0.99860805	-0.27272674	0.38169104	-0.940342	-0.32233122	-0.07050589	-0.86440116	-0.014263005	0.56442916	-0.286331	0.351767	-0.5579845	-0.3845207	0.009955099	0.047173332	0.99277097	-0.5709684	0.45493546	-0.40645534	-0.027258491	0.5982283	-0.64667827	-0.5021094	0.18535605	0.8608919	-0.9973436	-0.60096496	-0.5735071	0.04047077	-0.86240035	0.24213418	0.01805073	0.48442656	-0.18096422	-0.5752618	0.50329804	-0.17532113	-0.07932461	-0.22757839	0.97239923	-0.63695675	0.25749612	0.07821092	-0.045658574	-0.18155113	-0.123672865	0.37249166	0.036347784	-0.1332685	-0.36217248	0.99918896	-0.670672	0.31936592	0.31349814	0.012096898	-0.47266662	-0.89453775	0.39928806	0.019643389	-0.7718303	-0.43410543	-0.9999958	-0.4443716	0.46593565	0.039726917	0.3681834	0.15349188	-0.2482312	-0.40940228	-0.95940274	-0.13018376	-0.66232866	-0.36059648	-0.21213625	-0.42756766	-0.05120326	0.41550457	-0.41266558	-0.62501556	-0.58158404	-0.4560356	-0.60836715	0.05189567	-0.42187348	0.60542923	-0.03978507	0.16580038	-0.3193565	0.16198476	0.276238	0.290822	-0.48731855	-0.13381316	-0.12157615	-0.83597225	0.00424286	-0.6694763	-0.601086	-0.29620016	-0.15373327	0.2325713	-0.30456248	-0.97665817	-0.45576146	0.017779749	0.0666615	0.14625731	0.6573116	0.04948296	0.17924982	-0.49344027	0.13991047	0.5321889	0.002304934	0.1491645	0.20299418	0.4301395	-0.22838588	-0.34005958	0.55973226	-0.3073854	-0.565809	0.09866725	-0.48485243	0.12740085	-0.19342403	0.6696261	-0.49377114	-0.2108853	-0.7242976	-0.9998945	0.44713423	0.40917692	0.18951134	0.06817752	-0.5693545	0.029338745	-0.25217435	0.4777716	-0.147762	0.31732488	0.5609547	-0.58012015	0.20103867	-0.7323693	0.9889855	0.48863846	-0.17207015	0.7110044	0.15854688	-0.11708884	-0.5360618	-0.46017617	0.58034486	-0.303332	-0.44217092	-0.41878158	-0.74401957	0.5370341	0.10870969	-0.1503812	0.777554	-0.069446646	0.3005343	0.25057226	0.28113186	-0.33259675	-0.14906076	-0.49753007	0.11453065	0.48610482	0.2871103	-0.7348843	-0.43086222	0.29310292	-0.017825369	0.4276878	-0.15690535	0.6497023	0.12279209	-0.08666544	-0.15794645	-0.16063061	0.111914545	-0.44633305	0.5876963	-0.2134524	0.7649741	0.35244918	0.87603486	0.19503276	0.07473181	0.9541142	-0.3892205	-0.37644812	0.20748127	0.1056685	0.5241458	-0.48164964	-0.51097697	-0.33061463	0.36601508	0.9937473	-0.26499873	0.17886531	0.26114482	0.45958158	-0.7263818	0.43025273	-0.5062655	0.036957774	0.55267966	0.6649427	0.14869836	0.65307707	-0.017082637	0.245866	0.99999833	-0.98161584	-0.32971007	-0.28123763	-0.28358507	-0.5825789	-0.84476507	0.6372173	0.7590472	0.26047245	-0.9862121	-0.14542276	0.5998525	-0.27866545	0.5044894	0.6038894	0.03046653	-0.629057	-0.487196	0.48911962	0.0960006	0.39332855	-0.95983565	0.3478757	0.587767	-0.5631457	0.36258787	-0.30515137	-0.2870968	-0.4044208	0.53587687	-0.87613106	-0.1354046	0.15480623	0.64849216	0.36952606	0.07902971	-0.17698957	-0.10397744	0.4296367	-0.50458914	0.5606848	-0.112898245	-0.2308219	-0.4163083	0.21820982	0.5733127	-0.10515578	0.1661785	0.2685999	-0.2510025	-0.3935343	-0.12208994	-0.9129696	-0.8485435	0.35054266	-0.36337605	-0.5723376	-0.6347115	0.47115284	0.8675982	0.99985045	0.30209073	-0.34987363	-0.17228962	-0.3295635	0.32272014	-0.26670328	-0.639597	0.36434418	0.3276798	-0.3452779	0.11313974	-0.31739518	0.61212844	-0.28887197	0.5666726	-0.28718138	0.009208397	-0.9927795	-0.7385539	0.19889441	0.19234744	0.544559	-0.323168	-0.5340079	-0.4851552	-0.9168853	-0.38839683	0.059598032	0.1596292	0.33214906	0.385207	0.50395447	0.14331093	-0.26280835	0.4140704	0.59035575	0.45861197	-0.036926508	-0.2617723	-0.090759605	0.7145599	0.21015143	0.85354155	0.634549	0.2192908	-0.6248156	-0.15583824	-0.3137747	-0.31933007	-0.053409975	0.51205933	-0.24819028	0.5341354	-0.020432627	-0.47341436	0.6611758	-0.20593216	0.18973187	0.9999391	0.008747189	-0.9682014	0.7768902	0.9995981	-0.6580002	0.3378771	-0.9978304	-0.123264	-0.6293108	0.6565355	0.3875126	-0.38070342	0.024496866	0.015018716	-0.10818454	-0.33890712	-0.56719124	-0.40250215	-0.49522167	-0.5075202	0.19724007	-0.9999866	0.9999999	0.07719357	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557	0	CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1	-0.34560856	0.4356771	0.44357827	-0.23091875	-0.15522034	0.435055	0.57005095	-0.5716328	-0.046356652	0.24304491	0.061733387	-0.89563805	-0.2654767	-0.39439863	0.4359739	0.6422043	-0.5473323	-0.6097606	-0.2760465	0.48665076	0.4581199	-0.3906547	0.5780707	-0.38111955	0.18826127	-0.15366024	0.11201071	0.63866407	0.19483656	-0.2150927	-0.4790125	-0.16550994	0.23833057	0.003727254	0.5706115	-0.32905266	-0.3630281	0.41900852	0.9991965	0.1024817	0.41782528	-0.54601735	-0.2258652	0.21489222	-0.09738641	0.10192928	0.22988686	-0.42485067	-0.82974154	-0.4378819	-0.6834103	0.475251	-0.39106786	-0.11047304	0.8001692	-0.3126934	-0.20282233	-0.85207045	0.5958182	-0.70702064	0.051234607	-0.65911376	0.48767382	-0.46055764	0.18759912	0.3474547	0.031014968	-0.024223953	-0.061281238	-0.030996682	-0.9947091	-0.9990582	-0.68927205	0.8014575	-0.30771726	0.53228813	-0.022327775	-0.003747774	-0.001776056	-0.99883175	-0.90675926	-0.3213396	-0.87815154	0.32195383	0.25392422	0.39309785	0.32109457	0.037199806	0.68395185	-0.5598816	-0.6238869	0.12026794	-0.14442556	0.2695966	0.99991155	0.17405657	-0.90596503	0.10781237	-0.16935715	0.38535386	-0.18643473	-0.23716362	-0.5959233	0.91131383	-0.9981165	-0.5033609	-0.3424726	0.44698167	-0.9999999	-0.14451538	-0.57810265	-0.4381153	-0.48772755	-0.17143384	-0.32063392	0.38159272	0.53556204	0.24547023	0.97272265	-0.39958444	-0.6290098	-0.3893482	-0.03539183	-0.3491163	-0.44830406	-0.13013543	-0.23050845	0.12672277	0.08631575	0.94772685	0.14067793	-0.31237295	-0.3848962	0.5658727	0.23411976	-0.5930965	-0.34447005	0.025757065	-0.45111057	0.6821993	-0.99999887	0.23350564	-0.65078545	-0.19005579	-0.017201655	0.10501945	-0.29907957	-0.7991838	-0.984155	-0.16948229	-0.45306292	0.6353224	-0.09751438	-0.5889504	0.13740015	0.060104396	0.5159985	-0.7696341	-0.73167855	0.45443994	-0.3989757	-0.10176095	0.11013827	0.23512065	-0.28182286	-0.3235932	0.6222489	0.3294149	0.36923918	0.2864868	-0.13487144	-0.3892916	0.50667137	0.14913464	-0.4791826	-0.46120217	0.1659965	-0.79878736	0.14321642	-0.81831527	0.2962147	-0.99856496	-0.109590106	0.4743017	0.90610003	0.020717446	-0.32600185	0.3942357	-0.14549264	0.2649176	-0.17157897	0.38186872	0.73007965	-0.18647	-0.46982872	-0.4575405	-0.47696245	0.825141	-0.7124358	0.00504588	0.13069923	0.3417947	0.0325541	-0.5017029	-0.09313853	-0.116054125	0.44440228	0.7028096	0.50092787	-0.9998884	-0.61456513	-0.3770083	-0.09821197	-0.61464757	0.23448159	0.04406108	0.8521457	-0.72251785	-0.5267306	-0.73718417	0.5010028	-0.21877584	-0.6482922	0.18004943	1	0.12803602	0.37983626	0.74702775	-0.2330444	-0.18783608	0.12497152	0.28276742	0.28138334	0.5858158	-0.100723736	0.013423913	0.81711954	-0.000511307	0.28505224	-0.35296774	0.59291834	0.51906294	0.4248359	-0.49491057	-0.15807825	0.44438958	-0.28445846	-0.11826928	-0.007972461	-0.9111872	0.13717787	-0.82089275	-0.4864337	0.34275466	-0.27039015	-0.6088953	-0.0566615	-0.2654812	-0.102512605	0.3889103	-0.6138869	0.4501504	0.76978076	0.32140303	0.6295131	-0.25811598	-0.6426174	0.30628538	-0.90486914	-0.16604105	-0.3122354	0.99799234	0.11090899	-0.7223214	-0.50416356	0.41325903	-0.3286478	-0.115892395	0.5151683	-0.4836675	-0.4664055	0.98786306	-0.7561714	-0.6702905	0.04520463	-0.79247564	0.11560307	-0.98464626	-0.99925995	0.35975847	0.6408738	0.71609944	-0.60984313	0.06126786	-0.32645634	-0.10303978	0.9999992	0.6043379	-0.35325605	0.003832936	-0.52787906	0.15684158	0.25559843	0.13658701	-0.50449944	0.6760158	-0.98738533	-0.39754298	0.8086052	-0.72249895	0.09027712	-0.123532444	-0.121551536	-0.4331476	-0.86791044	-0.15702647	-0.8619442	-0.019355094	0.99999976	0.5291497	0.20673831	0.6076459	-0.70461905	0.28006646	-0.29464	-0.40958753	-0.71371406	0.11845606	0.10935875	-0.06944613	0.54300994	-0.26266253	-0.13972013	-0.06833416	0.13922477	-0.9682361	0.07577181	0.3554165	-0.7669397	-0.76082134	-0.20971876	-0.04733867	-0.35273743	-0.17894661	0.29457253	-0.59576195	-0.41771019	0.0999865	-0.070907	-0.94603664	-0.5584502	-0.3909187	0.5980386	0.43955332	-0.04401679	0.38665158	-0.3867289	0.999578	0.2959115	0.8939962	-0.20135492	0.68373966	-0.2173637	0.14271013	0.24435236	0.33639458	0.46620917	0.73714226	-0.51714057	-0.16286005	0.2367708	0.41722283	-0.18506843	-0.6175736	0.8920999	-0.9831396	0.038039878	0.79719657	0.711354	-0.24523701	0.018743547	-0.2366283	-0.8141321	-0.22141339	-0.28333968	0.4380678	0.4398177	0.14762336	0.27092642	-0.72545654	0.34684554	-0.12130488	0.6176748	0.5120761	-0.19281322	-0.25882316	0.085323066	0.44884267	-0.28919038	0.63407266	0.99651295	0.10558746	-0.5411353	-0.42727944	0.53165424	0.33752406	0.030244222	-0.57455015	-0.23354854	-0.30502117	-0.12396599	-0.124340594	0.55654556	-0.88562226	0.19709744	0.4046975	-0.9999003	0.3727124	-0.94942063	0.003294095	0.99907655	0.6352714	-0.65487725	0.4833104	-0.63384163	-0.32812658	0.12942	-0.06441233	-0.10866319	0.7471631	-0.4268466	0.79702795	-0.17588961	-0.17172192	0.096548334	0.7284094	-0.002964225	0.11835937	-0.9999528	0.9999996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567	1	COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O	-0.5486606	0.110329024	-0.8300771	-0.39624855	0.3477813	-0.77397794	-0.44296885	-0.23468374	0.29771668	-0.14483915	0.2578605	-0.16984776	0.49923193	-0.75157726	-0.4790072	-0.4744435	0.116288036	0.77691925	-0.3098559	0.012385863	0.23263508	-0.21172655	0.61147225	-0.8233508	0.30039364	0.06092868	0.36547735	0.8740169	-0.03514129	-0.16951865	-0.33050796	-0.7017377	-0.49460548	-0.34148687	0.8077946	-0.58482045	0.29826748	0.25531667	0.99946934	-0.26075175	-0.76033795	0.23999995	0.02011186	0.34841123	-0.11476055	0.6036829	-0.13697672	0.68714356	0.25180307	0.73364925	-0.29154596	0.42269707	-0.5067237	-0.25876546	-0.6930399	0.3522487	-0.71737015	-0.8801667	-0.4422504	-0.17996939	0.21461025	0.20269334	0.7241623	-0.6739792	-0.6005786	0.806226	-0.5088401	-0.15380909	-0.2939475	0.63201237	-0.95038176	-0.8250726	0.5723479	0.016455088	-0.2759304	-0.61483055	-0.31523603	-0.61802	0.7680777	-0.99892795	0.6853317	0.08434347	-0.87803197	-0.21831849	-0.42400184	-0.87787235	0.252195	0.06248939	0.10511059	-0.06994467	0.47877038	0.43715063	-0.19532953	0.16855823	0.99981695	-0.045418505	0.49925724	-0.3159814	0.24989793	-0.3483981	0.01989255	-0.11856066	-0.61484545	0.9091503	-0.9992779	-0.84345007	0.6636297	0.70315224	-0.952305	-0.552511	0.15903848	-0.034248203	-0.214188	-0.60387754	-0.002602195	0.7831364	-0.1638411	-0.33491918	0.93920434	0.012189237	-0.33633506	-0.35391006	0.110467814	0.5094882	-0.34756213	-0.24278945	-0.2639194	-0.4154186	-0.04660561	0.9996352	-0.70312595	-0.41636816	-0.089513056	-0.15937364	-0.014114455	-0.9740584	-0.272353	-0.30132055	-0.50066274	-0.66689944	-0.99999636	-0.7397344	0.29390958	-0.26128063	-0.5023197	0.5454912	0.16629742	0.325918	-0.99132764	-0.3250741	0.30250388	-0.8007309	-0.21200219	-0.14899865	-0.54013	0.11916036	-0.1856605	-0.88140553	-0.8568893	-0.46910548	-0.29903668	-0.23003344	-0.34296662	-0.30397135	0.28017473	0.030519351	0.20539522	0.5875541	-0.82146347	-0.51849824	0.20318043	0.43581015	-0.83279	0.12205965	-0.005968499	-0.87546444	-0.49619153	-0.11842478	-0.42724907	0.65601766	0.48273084	-0.9754082	0.3484805	0.1551544	0.85371584	0.32732844	0.56479937	-0.5664909	0.8910176	-0.28954947	-0.059707094	-0.5170619	0.5903261	0.04547828	-0.14150324	-0.36325496	-0.56557786	-0.48412475	-0.5910582	-0.3702684	0.55158764	-0.32350597	-0.07858296	-0.003462085	0.15956219	0.4098895	0.30273756	-0.018571105	-0.3319805	-0.99992263	0.24936812	0.5239634	0.6212113	-0.09313281	0.4868457	-0.05810804	-0.1383904	0.12600178	0.41133508	0.3204276	0.24483728	-0.011553557	0.4145785	-0.366596	0.98937064	-0.67805165	-0.37996763	-0.58255124	0.48222038	0.3777617	0.5370438	0.519075	0.8827513	-0.54093635	-0.015535694	-0.649629	-0.5668574	-0.41005784	-0.42321563	-0.5366503	0.8971309	-0.11239261	-0.9122699	-0.19554374	0.5383934	0.19044746	0.1427966	0.5930517	0.3126321	0.2483127	0.000470792	-0.76121396	-0.5594118	0.638762	0.847783	-0.09573573	-0.03415822	-0.28580585	0.61127555	-0.018551696	0.14648777	0.40300795	-0.30689397	0.30330092	-0.5750796	0.1729763	-0.5752572	0.3768679	0.6154228	0.009814409	-0.40493712	0.9892644	-0.7396376	0.24329361	0.68371296	-0.49173483	0.5027098	-0.8516101	0.40773034	-0.07577468	0.004025048	0.98107445	-0.45294812	0.36575958	-0.42216283	0.6796758	-0.4562638	0.3948804	-0.3384787	-0.7571512	0.21238862	0.17569189	0.3477606	0.39565086	0.025529437	-0.6071392	0.99999917	-0.98516226	0.249065	0.06663481	0.40577593	-0.27349788	-0.6618531	-0.6052172	0.21316345	0.056676205	-0.9954011	-0.69480544	0.6563083	0.47443676	-0.29950258	-0.2000037	0.42693993	0.61651933	-0.4858094	-0.36843473	-0.38483652	0.24140601	-0.92329633	0.3792891	-0.6536829	0.922764	-0.31116268	-0.6117192	0.0334669	0.5408749	0.68025947	-0.79179484	-0.39771938	0.09991864	0.5623662	-0.45342776	0.049846943	-0.54065394	-0.5592329	0.4096821	0.31650713	-0.03643525	-0.3976569	0.8609627	0.21770094	-0.50156504	0.74523216	0.11899306	0.3156491	-0.6701564	0.18314172	0.4979533	-0.5129583	-0.95084745	-0.5877213	0.665637	-0.45858774	-0.22838299	0.08223943	-0.30124906	-0.56042486	0.9994023	0.58246	-0.002711969	-0.14905657	-0.45165515	-0.596286	-0.68523866	-0.6706003	0.26474744	-0.25784674	0.3946281	-0.3169935	-0.20351967	-0.36899418	0.35755524	0.37455755	-0.7787209	-0.1640242	-0.9872653	0.7162224	-0.08805035	0.27379775	0.57469964	0.18735614	-0.20615809	-0.4824406	-0.60872793	-0.22093165	0.4522031	-0.13615566	-0.6152224	0.069661506	0.24728462	0.6224337	0.61059994	-0.2968038	0.26502517	0.28003055	-0.659046	0.097084746	-0.7346923	0.44216695	-0.112555005	0.8722926	0.6046002	-0.06504056	0.43071386	-0.30360258	-0.31956956	0.13250123	0.08822632	-0.40421137	0.7938033	-0.106854565	-0.034674127	-0.08202494	0.051870108	0.07164645	0.16066113	0.9998568	-0.44859058	-0.98121345	-0.041845616	0.9985143	-0.26768768	-0.54852545	-0.9977934	0.050278157	-0.51280856	0.18401462	0.3062377	0.1120488	0.85058814	-0.2531013	-0.32778192	-0.15355816	-0.35881898	-0.31353137	-0.4847613	0.21238308	0.17146412	-0.9999199	0.9999985	0.19457339	-0.0487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571	1	NCC(CC(=O)O)c1ccc(Cl)cc1	-0.869145	-0.28547472	-0.30335313	-0.29004714	0.23571485	-0.42285934	0.3299558	-0.31555235	0.42569885	-0.6785157	-0.5078952	-0.18893467	-0.5034425	-0.71573585	0.12370791	0.22314538	-0.01005533	0.4527363	-0.15817015	0.09882641	0.38513115	-0.71752286	-0.06145459	-0.29154438	-0.1998451	0.14952604	0.18693246	-0.2756645	0.4459504	0.07580675	0.15497786	-0.08837636	-0.047715016	-0.30813065	-0.2837483	-0.8077297	0.09639192	0.543358	0.6464992	-0.6779498	-0.94563663	-0.09396237	0.032886572	-0.006034132	0.4592865	-0.99386823	-0.022152396	0.0843935	0.069203556	-0.23699875	0.2211314	0.23443842	0.014803503	0.050704762	-0.8644698	-0.11607422	-0.18416078	0.9068594	-0.30165765	0.39430478	-0.5308682	0.11275044	0.53982526	0.3742851	0.15021259	0.3149852	0.3520595	0.41152748	-0.38655272	-0.4489961	-0.9026458	-0.9928127	0.6901636	0.41884097	0.09338027	0.31940356	-0.50968164	-0.47562954	-0.19045848	-0.99710214	-0.8019415	-0.37473413	-0.8089004	-0.23295054	0.25884828	0.123322524	0.32107016	0.33586395	-0.12511761	-0.3253574	-0.20561002	0.14532344	0.15658109	-0.28296235	0.9733359	-0.16274725	-0.06886235	0.17583135	0.51514155	-0.13493654	0.43586704	-0.19746059	0.09234988	0.10476154	0.69358087	-0.048061814	0.015970632	0.084215164	-0.9995658	0.015071803	-0.47442633	-0.31812626	-0.6466523	0.017757274	-0.3435569	0.36609533	-0.13642892	0.4869293	0.99946964	-0.057835467	-0.12922019	-0.33567825	-0.4801474	-0.004407085	0.033738893	0.3828967	0.1975796	0.2837402	0.25314754	0.9985415	0.45528075	-0.14331028	0.045014862	0.22798878	-0.39016294	-0.012084922	0.09511576	0.1224242	-0.7291147	0.23289154	-0.9990133	0.34154844	0.96967053	-0.098992825	0.4686867	-0.12197027	0.14020918	-0.092810154	0.98861086	0.3392823	-0.26695192	-0.76809657	0.51192707	0.39268124	-0.25313908	0.31970993	0.18414254	0.9976813	-0.23675197	0.083486944	-0.98725647	0.54011506	-0.057091422	-0.5262968	0.08957509	0.43051472	0.47459593	-0.38850433	0.06241701	-0.18831757	-0.049905278	-0.09981085	0.3334644	0.2292629	0.667775	-0.9795068	-0.6103794	-0.27419525	-0.24342959	0.33455485	0.33045304	-0.94118935	-0.032711305	0.2737733	-0.4790311	-0.09491784	0.2814915	-0.35620564	0.41482744	-0.030176682	0.39199144	0.13663174	0.60026085	0.15420601	0.014021681	0.08204458	-0.36293623	0.4866514	0.25121337	0.35813844	0.15169942	-0.111556634	-0.6903098	0.20918156	0.2812675	-0.3741814	0.06344396	0.43602067	-0.39930457	-0.9908523	0.4275038	0.05266421	0.36293998	-0.6480069	-0.006896687	-0.095096156	-0.58081	-0.26705262	0.4525206	-0.48129794	-0.09682542	-0.079581164	-0.6152578	-0.2701588	0.999997	0.29958892	-0.56026024	0.20115112	0.49976742	-0.5889138	0.2565656	-0.3905483	0.52900475	0.5940092	0.36333728	-0.6751751	-0.3397039	-0.6080111	-0.070626624	0.033283018	0.88487184	-0.16743863	0.32475927	-0.11455421	-0.11385375	0.040626165	-0.17482775	-0.27527735	0.22951971	0.1649877	-0.10541027	-0.9984245	-0.35174254	0.15651111	0.57837725	-0.10965114	0.17428456	0.079424284	-0.04351552	-0.4944887	-0.31830293	0.0404081	-0.52421576	-0.16389291	0.6775865	0.38160613	-0.25190815	0.4408187	-0.94405645	-0.14574595	-0.18954964	-0.102730796	-0.050916675	-0.19625635	0.21214789	0.92348397	0.30857784	-0.44828916	-0.047121875	0.7419388	0.53147095	0.99956065	-0.43388525	0.50765646	0.26633957	0.18925455	-0.021838102	-0.8321712	-0.492189	-0.13421963	0.331102	0.99936306	-0.18331252	0.61316586	-0.2717946	-0.50998527	0.9985253	-0.8536065	0.38394657	0.71865296	-0.23382942	-0.47135946	-0.18777567	0.5967927	-0.047086973	-0.45932612	0.9760787	-0.001370746	0.40426046	-0.077854514	-0.44252342	-0.24956019	0.07593002	-0.619723	-0.09881208	-0.382661	-0.3173729	0.19849584	0.97121805	-0.5913645	-0.61774415	0.5100964	-0.13223599	-0.5104885	-0.35740626	0.15740117	0.4858329	-0.9497421	0.5716934	-0.44924688	0.38945973	-0.29808784	-0.068737954	-0.025749315	0.08419824	-0.57243145	-0.21921524	0.57117724	-0.23530182	0.7058994	0.044376515	-0.06921479	-0.13461095	0.42558113	-0.2128219	0.2654051	-0.5306575	0.19330336	-0.24894495	0.745183	-0.9952997	-0.25923434	-0.047897022	0.6655208	0.08645314	0.09462479	-0.4505164	0.9994415	-0.28376448	0.36807245	0.12651825	0.116514735	0.27490872	0.005887948	-0.52176374	0.23934363	0.18560767	-0.37658054	0.4423668	0.10034391	0.65538603	0.4167493	-0.046615627	0.8279217	0.57538897	1	-0.5197692	0.3374094	0.6255911	0.2853671	-0.75478685	0.016815292	0.09576482	0.1400223	-0.2934991	-0.25940663	-0.23653324	0.06742611	-0.20559765	0.4541845	-0.13256325	0.41963008	-0.41760504	0.30367792	-0.01696334	-0.4468935	0.18063405	0.19334453	0.58772224	0.3565204	-0.6759686	-0.078328684	0.17022514	0.3776034	-0.10623502	-0.12715507	-0.701382	-0.43530047	-0.2374474	-0.32312915	0.44444114	0.17166603	0.29077905	-0.12594552	-0.16610359	-0.054210745	0.9374452	0.022851754	-0.9918896	0.5978896	0.9997256	-0.6855393	-0.24118418	-0.95758736	-0.06876531	0.57135415	-0.023176793	0.003607404	-0.22501862	-0.20836222	-0.4719009	0.31753427	0.039457627	0.084123306	-0.3610626	-0.5245411	0.15077166	0.085896805	-0.9999744	-0.9973497	-0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572	1	CC(C[N+](C)(C)C)OC(N)=O	-0.040328782	-0.38332185	0.29374585	-0.31727022	0.3088371	-0.09620086	-0.68821853	0.07882925	-0.03749886	-0.6024043	-0.047429804	0.037117522	0.16423154	0.6441636	-0.45494062	-0.2974944	-0.6877414	0.011120521	-0.33983177	0.5366309	-0.28876296	-0.79707843	-0.41183203	-0.08054241	0.47139722	-0.5858873	-0.45830828	0.057123303	0.574389	0.37663218	0.3974355	0.4721037	0.72160107	0.20002571	-0.5827282	0.14770204	-0.33988047	0.6442613	0.16123994	-0.66411775	-0.9872939	-0.0793706	-0.37058488	0.044960313	0.27807316	-0.99451053	-0.002768534	0.593061	0.9971073	-0.7842555	0.24780686	-0.27714878	-0.10304405	0.63798493	-0.8307251	0.60578215	-0.083390936	0.92373145	0.19634469	0.1316972	-0.30163407	-0.83088124	-0.5230922	0.33763438	0.3541353	0.6115488	0.25334775	0.44154146	0.09119731	-0.5021279	0.51216066	-0.99918956	0.0932268	0.89522517	0.031823922	0.2317818	0.009264883	-0.45555952	-0.4406975	-0.9999739	0.08029695	-0.00565691	-0.8099611	-0.12097674	-0.03368272	0.8472519	0.43105516	0.020915901	0.05659133	0.07831448	-0.12886246	0.5399676	-0.54761755	0.5803427	0.9925043	-0.13690592	-0.81272674	-0.41052184	-0.011415126	-0.50093883	0.18079622	-0.098295994	0.07244579	-0.45971236	0.86970466	-0.20596913	0.35381827	-0.3048766	-0.8995536	-0.18551856	0.40751377	0.3957382	-0.03896974	-0.30502337	0.035844356	0.49793035	-0.51800966	-0.20967479	0.9994672	0.762602	0.06264676	0.36079827	0.31960118	-0.007029661	-0.07178341	-0.22259174	0.3048197	-0.34231567	-0.22911361	0.9863592	0.4274829	-0.59761184	-0.10699545	0.7357414	-0.21076667	-0.8735569	-0.7624975	-0.003627161	-0.527048	-0.22544155	0.99622476	0.3045938	0.9691605	-0.22782002	-0.5760567	0.4296557	0.7242663	-0.23574977	0.98706704	-0.19590263	-0.29495054	-0.34111965	-0.15679714	-0.13613962	0.041703843	0.34623262	-0.24647725	0.9991163	-0.17079337	-0.39746714	-0.9907377	-0.21861802	-0.534554	0.45912528	0.47020292	0.23989505	0.80013674	0.37667686	-0.20085801	-0.10104181	-0.12612756	-0.3901166	0.40630287	0.0320172	0.013745235	-0.96271265	-0.44147786	-0.7926612	-0.08844806	-0.60485846	0.6762578	-0.932996	-0.22612524	-0.37948477	-0.4499609	0.049090996	0.5469014	0.4724101	-0.15908743	-0.4742451	0.30009246	-0.10252127	-0.7523601	0.32798243	0.60336673	-0.050611995	-0.50077224	-0.23212133	-0.03099318	-0.55350846	-0.5089127	0.18662295	-0.6911858	-0.48347488	0.1948958	0.10924153	0.22286806	0.45522565	0.16851836	-0.9747729	0.4059375	0.12446733	0.59050184	-0.26869133	0.5490468	0.6659682	-0.29084733	-0.6091686	-0.4845357	0.040333968	0.40543002	-0.63521636	0.13320127	-0.5178823	0.995547	0.1891255	-0.23554143	0.064020045	0.18618542	-0.57621217	0.6173159	-0.03627213	0.06460318	-0.26997992	-0.34785694	-0.38462308	-0.289561	0.607438	-0.4888577	-0.566749	-0.96560293	0.040816355	-0.17264192	0.3000416	-0.48452473	-0.12710911	0.50433844	-0.17393756	0.33389983	0.54855037	0.8391748	-0.9998759	-0.052541	0.42297643	0.26124066	0.41719833	-0.003638271	0.60729325	-0.6691851	-0.38439804	0.028181305	0.67290914	-0.06888462	0.14464565	0.7883371	-0.44056973	0.06624477	0.60575813	0.6723463	-0.06707332	0.17772035	0.86491424	0.6724348	-0.46449077	0.68540776	0.3856482	0.50799793	-0.31979063	-0.019250367	-0.41704872	0.119565375	0.99960524	-0.3302883	0.01690812	-0.31477067	0.17027578	-0.23037516	-0.10671179	-0.7300181	0.14228411	0.45897418	0.9996063	-0.039600104	0.6554417	-0.000697469	-0.7938887	-0.9966691	-0.44704548	0.78524774	0.10625379	-0.47356513	0.25042892	-0.053661454	-0.6012978	-0.272864	0.21112649	0.99650717	-0.5878215	0.18932605	0.5437232	-0.44920504	0.42305824	-0.14897093	-0.49694404	0.37558258	-0.19012396	0.42260525	0.30777577	-0.9843422	-0.08413388	0.1886235	-0.12091886	-0.26508376	-0.19243276	0.29282954	-0.25249988	-0.06832295	-0.5712392	-0.04462425	-0.46949223	0.5182732	0.048220284	0.57792866	0.25397706	-0.4944852	-0.730465	-0.51136345	-0.19141187	-0.8450273	-0.5005966	-0.710824	0.33141795	0.15068035	-0.017790696	0.011413263	0.40872803	-0.47073615	0.108348355	0.45484972	0.90799546	-0.9939463	0.61467046	0.13264796	0.56737596	-0.4179013	-0.13951762	0.49191776	0.99955356	0.42938817	-0.44699478	-0.8407217	0.29773664	-0.26183584	-0.6145494	0.15120538	0.5908326	0.60817266	0.24830174	-0.021211721	0.022069942	0.2713103	0.2842712	-0.34451562	0.8302171	-0.3190424	1	-0.7260188	0.41550347	0.6236377	-0.5537943	-0.7066563	-0.27813467	0.46760252	-0.65184176	0.17242248	0.3405303	-0.42576128	0.6942959	0.58463794	-0.4175389	0.18944351	0.2773042	0.5919222	-0.26263672	-0.27043602	-0.8213684	0.39764148	0.85361594	0.055184435	0.40701848	-0.5479265	-0.28831056	0.13838337	-0.041001994	-0.74169207	-0.17529653	-0.81682837	-0.24703783	-0.2515274	0.018764354	0.19324811	0.24736196	-0.11326398	-0.20462662	-0.10958828	0.4121745	0.9999846	0.5494315	-0.99550295	0.21075216	0.99947995	-0.36350676	0.525998	-0.9996986	-0.39447165	-0.6029084	-0.27395543	0.3652692	0.17686695	-0.15461837	-0.86808246	0.77932733	0.57516414	-0.23374657	-0.2965426	-0.14648949	-0.43149966	0.32315016	-0.99995714	-1	-0.99593747	-0.766152	0.2020705	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581	0	Nc1nc(=O)n(C2CSC(CO)O2)cc1F	0.5636202	0.20601958	-0.023416696	-0.45333847	-0.10186583	0.18976736	0.46823642	-0.15963633	-0.37109962	0.53797734	0.4992893	0.05042418	0.2521114	0.4879461	0.2985504	0.20894751	0.04518479	-0.52967507	0.162894	-0.5282946	0.6186469	0.08377748	0.0284002	0.5747912	-0.3545365	0.4978116	0.020622557	0.28845912	-0.3330921	0.33120626	-0.34557247	-0.2623983	-0.024578277	-0.11936128	0.072207145	-0.123208635	-0.47001812	-0.31963974	0.9515573	-0.36315748	-0.040699244	0.3534581	-0.046879906	-0.30765244	-0.50008243	-0.9658809	0.3718003	-0.56916374	-0.5901666	-0.495212	-0.5728242	0.22786562	0.26433966	0.42768022	-0.45094258	0.10333543	-0.24768312	0.5045658	-0.5515922	0.55435264	-0.28522575	0.30453598	-0.07128292	0.7361364	0.25070262	-0.09342395	0.07704478	-0.44900313	0.105166726	0.18573342	-0.96461284	-0.99993587	-0.14635597	-0.03720977	-0.3028195	0.18723038	0.49518883	0.36070707	0.6911299	-0.99938285	-0.34154052	0.19838534	-0.9408102	-0.44803274	-0.6181614	0.79216677	-0.33721197	-0.46843207	-0.32151213	0.17199686	0.42427504	0.034910128	0.27961057	-0.6009491	0.99934274	-0.03280819	-0.89641845	-0.39655632	-0.31103092	0.15475021	-0.4125617	-0.34606197	0.1866221	0.577696	-0.39862466	-0.97819626	-0.43957698	-0.534913	-0.9997024	0.5837709	-0.49866274	0.3679376	-0.60932857	0.47306758	0.15716973	-0.06255607	0.1422174	-0.08579117	0.9993272	-0.61987054	-0.24850442	0.26091564	0.68359196	0.16506101	0.44205335	-0.09184847	0.1645961	0.23808248	0.1805943	0.83049375	0.36250758	-0.50902367	0.17790182	0.8631374	0.14779116	0.3160841	-0.67609054	0.0942727	-0.08977172	-0.32374847	-0.99997973	0.5785699	0.6442281	-0.6937879	0.095795535	-0.49720928	-0.1187116	-0.25428015	0.85990435	0.049887244	-0.54687667	-0.5486032	-0.7486115	-0.17890516	-0.4124936	0.27889028	0.111171454	0.99029887	0.12644884	-0.6172258	-0.9822019	0.3348455	-0.3177184	-0.62162876	-0.3449792	0.23195192	-0.26985472	-0.43209517	0.103153855	0.5219341	-0.63986206	0.3858706	0.31984848	0.26805398	-0.22047238	0.69370365	0.27068624	0.22146577	-0.26506257	0.07592954	0.026040196	-0.97927576	-0.31659335	-0.78083134	0.41302985	0.22785187	0.7969346	0.3850078	0.4287197	0.4959542	0.80682534	-0.0887447	0.73157257	-0.41109025	0.13023356	-0.43540016	0.15877658	-0.12393247	0.09533517	-0.41276017	-0.5566419	-0.57771677	-0.3863458	-0.7231292	-0.031604115	-0.631435	0.42043683	0.3886076	-0.002504079	-0.9987032	-0.068650104	-0.4379237	-0.35194415	0.25928926	-0.116845794	0.27567604	0.5743574	-0.35449943	-0.22232832	0.17099194	0.13390857	-0.5502838	0.93187433	0.38082924	0.9999924	-0.118773155	-0.33852822	0.56444883	0.408162	-0.073103376	-0.87905824	0.14156783	0.43922636	-0.07139639	-0.7593908	-0.10777511	-0.41950506	0.19993119	0.22951134	0.7456802	0.82558334	-0.5422005	-0.07365383	0.11084434	-0.48524603	-0.24986605	0.6188985	0.173424	0.3134546	-0.30218667	-0.25127867	-0.9622381	0.52840537	0.16599521	-0.09150948	0.012879243	0.18601671	0.4072976	-0.69123745	0.09258987	-0.18834507	-0.103603326	0.59399784	0.41200885	-0.32959604	0.48447183	0.0534416	0.6787036	-0.94994354	0.675098	0.45750886	0.9946335	-0.15907693	0.39306593	-0.11876035	0.693305	0.35012582	0.30822217	0.34339407	0.32630104	-0.387601	0.9993176	-0.44900027	0.41861674	-0.01893371	-0.7120877	0.21183962	-0.8407222	-0.9551199	-0.2879343	0.4295454	0.9988945	-0.23761375	0.58254343	0.2296237	0.2875928	0.99997807	0.44738466	0.23138256	-0.12432023	-0.10555353	0.22291449	0.033859164	0.4994	0.5426451	0.86204773	0.7905971	0.52925843	-0.21651609	0.45923513	0.40477428	-0.23003694	0.16561115	-0.83193225	-0.2581723	-0.14799055	0.30916205	-0.3589213	0.9329587	-0.080979355	0.27021927	0.20353396	-0.017745523	0.16211061	0.67562354	0.06394493	-0.848444	0.82402766	-0.6782824	-0.59077126	0.21826674	-0.44020468	-0.56199884	0.76088923	-0.49105754	-0.9878455	-0.2538733	-0.11499396	-0.48992515	-0.2397967	0.1706665	0.19926268	0.3336737	0.35094213	0.5192041	-0.004987407	0.59000814	-0.113139436	-0.27205184	0.55817395	-0.9699129	-0.58885264	0.5774723	-0.257265	-0.4039681	0.54029274	0.034886904	0.99965775	-0.5302806	0.9158576	-0.53613186	-0.070001066	0.7393255	0.18391655	0.65640426	-0.021311	0.25210643	0.38360256	0.5777016	0.4969267	-0.061976656	0.2635815	0.17689054	-0.55194014	-0.06603295	0.99555063	-0.34845486	-0.01889971	0.34051603	0.5685219	0.060831323	-0.5465094	0.13023579	-0.45533934	0.38776138	-0.10341122	-0.308874	0.089278914	-0.36704528	-0.09254759	-0.382009	0.33688012	0.16650584	0.053516835	0.13348994	-0.26498392	-0.42111716	0.793525	0.6054969	0.47728577	0.8697193	0.80814093	-0.14563738	0.73905396	0.14183025	-0.043587737	-0.19953063	-0.5326586	-0.18774238	0.229496	-0.4423641	-0.05914767	0.5369202	0.3287504	0.048947744	-0.19100764	0.93124783	-0.030014584	-0.9919678	-0.006671959	0.99932504	-0.26430294	0.59638953	-0.9845269	-0.063131504	-0.049278487	0.3210184	-0.59913	-0.37264565	-0.2832952	-0.5275982	0.9391894	0.1617077	-0.8263027	0.37951866	0.5503299	0.38293776	-0.17143835	-0.9999831	0.993379	-0.9764435	-0.57884544	-0.13400613	0.3785524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603	1	CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12	0.19096388	-0.31394848	0.6695883	-0.44269994	-0.023369927	0.8247538	-0.21089607	-0.40140676	-0.8195106	0.14512137	-0.38219354	-0.2585649	-0.29366824	0.32108843	-0.5722812	0.21832055	-0.003385501	0.20307347	-0.12977698	0.20686321	-0.13819207	0.5346887	0.5718168	-0.29470897	-0.11049924	-0.601883	0.40843856	0.16940531	-0.668636	-0.62247235	0.35478362	-0.51728284	0.20595708	-0.013794448	0.15907711	0.24125898	-0.7450275	-0.2927425	0.99986535	0.6413961	-0.41167304	-0.39539403	0.6589835	-0.030534552	0.4580611	0.9647694	0.7287836	0.7444769	-0.43700507	0.5167846	-0.6948775	-0.5245043	-0.37493277	0.22726843	0.86744195	-0.4311009	-0.20163803	-0.9872233	-0.57200414	-0.1052451	0.6952886	0.5894704	-0.325947	0.585819	0.04498762	0.5530399	-0.32184285	-0.17821169	-0.5707574	0.3772499	-0.9981027	-0.99600124	-0.13555393	-0.7738455	-0.34802222	0.015736192	0.5448305	-0.26936835	0.7085934	-0.9998822	0.53615814	0.20776795	-0.9685267	-0.39405438	0.13377248	-0.46582916	0.2806919	-0.68412834	0.66289264	0.8125615	-0.6538145	-0.4428435	-0.58702964	-0.9062093	0.99996114	0.07084943	-0.62859267	0.42457753	-0.1668816	0.052550405	-0.8013521	0.276436	0.36311102	0.67826486	-0.99985725	-0.98011893	-0.43908808	-0.72886693	-0.9877158	-0.0868238	0.28013173	-0.22699934	-0.1854551	0.31456122	-0.035233658	-0.2002772	0.49412912	-0.40327442	0.19049163	0.27811235	-0.12976162	-0.23619781	0.4066171	0.46518305	0.14671054	0.6589617	0.3202766	0.035716947	-0.47977567	0.9869367	-0.85389996	0.30601117	-0.35458058	-0.11702216	-0.060532182	-0.9870737	-0.18327919	-0.3458952	-0.4806396	-0.5174272	-0.9999986	0.43992844	-0.8620108	-0.5522398	-0.08334895	0.39044082	0.42557633	-0.22641976	-0.99970996	-0.05579131	-0.3131659	0.07112176	-0.75982904	0.21127483	-0.73356444	-0.19658335	0.04500229	-0.99733925	-0.6164574	-0.51073575	0.7790057	-0.39596736	-0.033962116	-0.13277757	-0.06686229	-0.11795245	-0.6860126	0.35847464	0.45992547	-0.75369126	0.075831786	-0.42797795	0.09637178	-0.65083766	-0.2685262	0.5596696	0.16246517	-0.073255636	-0.71134067	0.07187744	0.1688131	-0.99773824	-0.600213	-0.53499985	0.8756451	-0.61920965	0.5818385	0.40552956	0.7903382	0.0823373	0.5375754	0.5493006	-0.60743135	-0.066153005	0.22760743	0.33149472	-0.06345832	-0.8628742	-0.006339716	0.48841432	-0.299122	0.63937616	0.792803	0.06093612	0.29234684	0.5638842	0.79367363	-0.40313393	-0.31323496	-0.9998603	-0.23298451	-0.5443022	-0.44096145	0.49129093	0.64963526	0.1748627	-0.51399684	0.1066704	-0.08306049	-0.41017297	-0.2787054	-0.3076792	0.4665999	0.16292201	-0.9810724	-0.6488416	0.5892222	0.1494588	-0.6524208	-0.123169966	0.77038074	0.28344494	-0.19855672	0.66386724	0.14943476	-0.76668257	-0.025646143	-0.037209924	0.0608184	0.2228899	-0.96788806	-0.10962108	0.36680675	-0.3345989	0.22230387	-0.22687018	-0.6289493	0.6183703	-0.6163083	-0.2267852	0.38559848	-0.20176199	-0.83957815	-0.57156295	-0.3323966	-0.19992815	0.62105036	0.45695692	-0.4454528	0.16194125	-0.06054881	-0.02955512	-0.12378475	-0.31566906	0.008823501	0.27623808	0.2281978	0.7884493	0.8976514	-0.39501995	0.5674313	0.99590385	-0.68686	-0.4386111	0.05220702	-0.9195343	0.43459558	0.74068695	-0.40890563	0.18996748	-0.18686295	0.5207967	0.07446085	-0.734362	0.7909229	-0.5567592	-0.08166601	0.39241824	-0.5680081	0.25432965	0.7303858	-0.9326438	-0.17268254	0.8373875	0.75088173	-0.3401005	0.99999946	-0.6933296	-0.15392096	-0.35746807	-0.04978137	0.5383291	-0.31047505	0.1732382	0.8872925	0.8112148	-0.99972683	-0.113282315	0.66578174	0.41006896	0.58797634	-0.24004936	0.7026349	-0.30296552	-0.9031703	-0.08247134	0.0974506	-0.2571707	-0.9124966	0.06761747	0.4095071	-0.63817865	0.46628168	-0.47742632	0.7648445	-0.41671056	-0.68847877	-0.27548054	-0.41859785	0.22949882	0.6738757	-0.23803541	0.5234373	-0.50394374	0.41530886	-0.69225657	-0.001644377	0.07330136	0.41376626	0.0771376	-0.039828137	0.41884637	0.40985268	-0.6244634	0.09884465	0.2554707	0.23643216	0.32307434	0.79575557	-0.99475807	0.7106165	0.023506539	0.8320863	0.17687024	0.33889067	-0.46633992	0.3748745	0.9995691	0.20580585	-0.51777834	0.261537	0.11404666	-0.658169	0.5308518	0.19615081	-0.10313397	-0.27322984	0.66349864	0.28213325	0.29391214	0.55866855	0.14073628	0.5510627	-0.95578974	0.025952328	-0.99999976	-0.624713	-0.6609014	0.8581793	0.84310967	0.556505	-0.79682773	-0.698175	0.46230745	0.49738508	0.6077762	-0.03300029	-0.40835515	-0.10325326	-0.14606977	0.84771484	-0.75549847	-0.48290268	-0.8682158	0.25403333	-0.04220793	0.4853527	-0.5607027	0.15569367	0.6243813	0.9946066	0.2830771	-0.2164864	0.36839092	0.69225794	-0.2045157	0.17991522	-0.18139678	-0.1304459	-0.5462056	-0.17483921	-0.4883654	-0.07047372	-0.15401308	-0.5547515	-0.4251167	0.9997998	0.593039	-0.97800696	-0.28998643	0.99941593	-0.43514782	-0.09459947	-0.9972775	-0.5505555	-0.89369386	0.8544304	0.31309026	-0.22136539	0.21136735	0.6796525	0.64350414	-0.2804954	0.50472933	-0.28052455	0.24214429	-0.25365534	0.65159065	-0.9984852	1	0.86869854	0.7278404	-0.859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627	1	Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O	0.9375514	0.4924143	0.41642332	0.009471926	-0.14924397	-0.38155335	-0.040894084	-0.8312137	0.38297284	-0.3342348	-0.42520225	-0.18941304	0.3076006	-0.2411562	-0.17039512	0.6339817	-0.19773942	-0.64837116	-0.69309366	0.023258079	-0.26613572	-0.12957826	0.36824682	-0.31706423	-0.19189662	0.012615843	-0.43787926	-0.28845406	0.19521052	-0.15401621	0.029852973	-0.38379797	-0.003641571	0.4321708	0.12733014	0.0462758	-0.52841413	-0.07836426	0.99970615	-0.51401216	-0.9310905	-0.6052289	0.13489343	0.2241287	-0.3420531	0.7244831	-0.35051766	0.38402644	0.9270553	-0.29581523	-0.4755881	-0.029034657	0.6992432	-0.17739038	0.39380863	-0.7595748	0.79424876	-0.80277914	-0.42491922	0.44148493	0.13990538	0.37366816	0.32228976	0.2490083	0.12312223	0.17849381	0.4906807	0.53302	0.7149853	0.9200497	-0.83679485	-0.7467792	-0.06782268	-0.79026145	0.72306794	-0.40141207	-0.6648589	0.30248246	0.7247919	-0.99992514	0.62962466	-0.4023733	-0.92770463	-0.33315337	0.42187268	-0.9306821	-0.7090251	0.179889	0.16689986	0.8365957	-0.20452832	0.3632264	-0.8374727	0.14594533	0.9993046	0.2113411	0.4558421	0.7575202	-0.5082885	-0.24748918	0.45954958	0.102008894	-0.31376168	0.9709564	-0.99908924	-0.82590485	0.13442944	0.3740524	0.961408	0.0000298	-0.30459782	0.33062196	0.09316873	0.14853436	-0.30350274	0.21041241	-0.07797709	-0.11614553	0.8493468	-0.1130599	-0.16637008	-0.3831949	0.49797255	-0.18447919	-0.037507325	0.05322053	-0.43319607	0.34622	-0.28385046	0.9997749	-0.4927372	0.3992815	0.116698936	0.27670613	0.23528768	-0.98665357	0.5218384	0.1862205	-0.40539527	-0.5752	-0.9999999	0.45906535	0.45116854	-0.008355985	-0.36460596	0.5926367	-0.14188208	0.4089749	-0.99742454	-0.2039609	-0.30072492	-0.5196887	-0.3313423	0.28934067	0.4356897	-0.23714057	-0.00663866	-0.9025124	-0.7166432	-0.9454872	-0.10238414	-0.41475487	-0.38639286	0.6158864	-0.27991244	0.16544802	-0.5309521	0.29313004	0.52422374	0.016049875	-0.19826242	-0.15952724	0.4432498	-0.02406914	0.012023737	-0.66814333	0.81683916	0.20596905	-0.6664096	-0.2912549	0.8157995	-0.9611737	0.17709221	-0.5672085	0.32516703	0.11227058	0.28563404	0.56323963	0.07257374	0.34478688	-0.36548108	0.38133997	-0.45041978	-0.20326169	-0.3307374	-0.1940563	-0.09402613	-0.90161663	0.09835485	0.7471587	0.30433884	0.42640772	-0.011389523	0.09484602	0.32153007	0.5299152	0.19381714	-0.09056605	0.087619886	-0.9999355	-0.7090705	-0.34477997	0.531951	-0.29882586	0.38004822	0.42719012	-0.332992	0.574237	0.3067481	-0.025244454	0.34250656	0.10495484	-0.38631177	0.7135857	-0.9779865	-0.3451332	0.20913823	-0.33560246	-0.05585588	-0.13847199	0.19636126	0.12166183	0.36799598	-0.3965685	0.5617982	0.61456984	0.38719237	0.15376078	-0.69132644	-0.5384708	0.9009239	0.14394198	-0.4247099	-0.49146086	-0.03904952	-0.75073576	-0.23323129	0.3077408	-0.11021548	0.2282597	-0.11760749	0.13055044	-0.72252846	-0.08636286	0.6477227	0.18789728	-0.009015442	0.18149576	0.36046404	-0.6751556	0.54660916	0.8209112	0.39385974	-0.50296885	0.47121227	-0.043611657	0.24761306	-0.3638655	0.95006627	-0.24426167	0.21944928	0.948216	0.30944896	-0.56149226	0.29793644	0.468264	0.50473785	0.1682448	-0.5774997	0.5543371	-0.40320194	0.9740363	-0.64558095	-0.50444156	-0.14695261	-0.09001106	-0.23224542	0.93869287	0.83126944	-0.5643998	-0.3194115	0.09376924	0.6732818	-0.4879461	-0.66872793	0.27812383	1	-0.9833126	0.14185914	-0.07691865	-0.06291523	0.43241957	-0.36370945	0.04437335	-0.39477244	-0.8764846	-0.9975176	0.48237282	0.779552	-0.08425296	-0.32434627	-0.66584724	0.51424843	-0.20389657	-0.3593484	-0.12822597	-0.35351926	-0.33964872	-0.9999427	-0.7290192	-0.1273391	0.78747755	-0.28931445	-0.35232618	0.18356593	0.03536636	-0.044559192	-0.9375184	0.10205538	0.16305694	-0.52787226	0.6230686	0.25341734	-0.7142787	-0.066545986	0.6403386	0.42442295	-0.034365818	0.40371555	0.38929456	0.000903163	-0.02313331	-0.066954955	0.67777437	0.45603055	-0.18171066	0.79962116	0.15886165	-0.15151685	-0.9512736	-0.51525563	0.7668536	0.09192073	0.07307607	0.17921533	0.22354884	-0.4742226	0.99957126	-0.04301323	-0.18307596	0.029937327	-0.29787293	0.15932496	-0.16085884	-0.7379844	0.26266703	-0.75246733	0.17016003	0.1320566	0.5634739	-0.09802769	-0.27227366	0.2935431	-0.4699734	-0.30942297	-0.9999998	-0.36702198	0.49594417	0.549718	-0.520951	0.06836431	-0.3747975	-0.111762755	-0.50778854	0.42237657	0.24271663	0.00944679	0.3567738	-0.47487986	0.45504397	0.64321613	-0.51972765	-0.6511603	-0.5249489	0.42185098	0.011121825	-0.12550628	-0.4013176	-0.45851237	-0.14695671	0.8500744	-0.16180487	0.23161684	-0.271952	0.1893801	0.029398013	0.082910694	-0.39084387	-0.28411055	-0.09371756	0.45287558	0.30674225	-0.7815427	-0.46984068	-0.2524121	-0.27491263	0.99999976	0.46758646	-0.9936396	0.3145074	0.9994047	-0.20111184	0.5473818	-0.9999369	0.000292588	-0.96830815	-0.3634071	0.13044341	-0.67070764	0.4718766	-0.54592055	-0.58076906	-0.38655406	-0.12361936	0.046165332	-0.1349449	0.6457389	-0.5463207	-0.99973226	1	0.5985729	0.34949964	0.02494821	-0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727	1	O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O	-0.03700843	0.16849622	-0.54605263	0.70278025	-0.5480788	0.41734746	-0.20776889	-0.033845793	-0.17911318	0.40720344	-0.40875247	0.4419317	-0.5769292	0.11806523	0.2650281	0.6365813	-0.123652354	-0.43879735	-0.45786244	-0.21713082	0.69831973	0.18205005	-0.016119264	0.6528858	-0.07761674	-0.2634277	0.32761616	-0.23878811	-0.6646659	0.3430065	0.1346214	0.13180381	-0.4596396	0.08360009	-0.2291958	-0.13562879	-0.3983202	0.53902817	0.99965686	0.004110193	-0.079784065	-0.07423876	0.21546026	0.15732363	0.48940063	0.64167947	0.34233612	0.23743111	0.7663071	0.15050925	-0.12913527	0.39752573	0.089047216	-0.6569944	0.4525579	0.11488829	-0.76997215	-0.8269745	-0.032446094	0.1353644	-0.00619749	-0.023683317	0.27899498	0.007363169	-0.79891783	0.033090536	-0.22904159	0.27652252	-0.03307141	0.5138633	-0.8592262	-0.9324431	0.018567579	-0.85019296	-0.11559394	0.54740506	0.42647237	-0.64385986	-0.37657958	-0.99777305	-0.8735871	-0.23792998	-0.65057164	0.6539702	0.39449656	-0.7695299	0.18613636	-0.11119977	-0.034551796	0.033306386	-0.47926554	0.3554996	0.029630363	0.0747844	0.9999646	0.095357046	-0.7852921	0.4528464	0.28733826	0.001500005	-0.076173685	-0.51327765	0.5445021	0.9881447	-0.9987421	-0.9014055	-0.6632605	-0.30630764	-0.99999684	0.012173628	-0.071435966	-0.5175472	-0.56845844	-0.049178082	-0.46042874	-0.70447505	0.14125378	-0.08519791	0.89832944	-0.7015747	0.16050492	0.012967492	-0.89743584	0.5263378	-0.8477396	-0.48270503	-0.42349464	-0.3628332	-0.544847	0.99811393	0.45167342	0.23804702	0.053604037	-0.049006574	-0.57281196	-0.4490257	-0.27988476	0.67330533	-0.4051139	0.045175992	-0.9999929	0.310578	-0.7231333	0.09921737	0.63119435	-0.6911638	-0.5818155	0.11231528	-0.99573743	-0.2897022	-0.35935014	0.14140883	-0.24554242	0.3915545	0.19975545	0.045277968	-0.13609684	-0.9190223	-0.45673674	-0.055245362	-0.11135775	0.51490885	-0.17558265	-0.16178563	-0.23780622	0.29278782	-0.6808198	-0.19310631	-0.23136728	-0.2975634	0.30351642	-0.11930312	0.35808715	-0.4447528	0.5489935	-0.7634603	-0.68608075	-0.50166845	-0.4298192	0.06685595	0.56542975	-0.9996624	-0.79603684	-0.13011977	0.8219255	0.121146046	0.5189731	-0.28397873	0.32470292	0.30665308	0.53484446	0.5160075	0.002567041	-0.83678836	-0.317632	-0.05545062	-0.001000998	0.6764365	-0.43557703	-0.15274936	0.16035376	-0.29813665	-0.49069607	0.15293469	-0.22340316	-0.4454781	0.30747855	0.097077556	0.52951276	-0.99991137	0.13676867	-0.44132134	0.20519248	0.43293267	0.5267369	0.37952632	0.018666377	0.3707655	-0.16449255	-0.7270135	0.50691384	-0.071442276	-0.19397508	0.6799746	0.99992734	0.2922621	-0.756464	0.42586616	0.1876471	0.745693	-0.36020806	-0.5455645	0.2799193	-0.14192815	0.38096488	0.075982116	-0.10187658	-0.2887064	0.11729022	0.20423521	0.8148514	0.22323278	0.32226175	-0.7740856	0.76449156	-0.062781446	0.47537696	0.1711157	-0.43348387	0.18048304	0.36492726	-0.6959506	0.036005873	0.8519496	-0.24199653	0.25423795	-0.30258423	0.6927361	0.049277637	0.026598806	-0.16684487	0.68005645	0.6063143	-0.36906934	0.24579212	0.7235119	0.3814108	0.05381679	-0.041190207	-0.41418326	0.48496053	0.9967501	-0.034600474	-0.35766256	-0.47857276	0.81636906	-0.08308972	0.65835506	-0.1303914	0.70137095	0.29841214	0.96776843	-0.067736946	0.074682884	0.23203328	-0.112105444	0.22003736	-0.7750147	-0.99858063	0.43604392	-0.605949	0.025485877	-0.49680445	-0.38781705	0.42937458	0.6910367	0.9999959	-0.71275586	-0.6947629	0.49424487	-0.5764396	0.28406414	-0.89471066	-0.41938472	0.7029825	-0.115433626	-0.9973743	-0.040972445	0.9332908	-0.37435997	0.6522844	-0.38186848	0.021981755	-0.17846052	-0.95133567	0.1211589	0.5838756	-0.42987564	0.99984306	-0.012184948	-0.6410097	0.6013141	0.3414051	-0.9333596	-0.30480278	-0.34979317	0.7371129	-0.78486156	0.7738856	-0.006093345	0.761594	-0.72761697	-0.535754	-0.15516363	0.28745645	-0.12972428	0.61186314	0.001878417	0.16418508	-0.020928865	0.33170986	-0.018709037	-0.66374266	0.65727234	0.03773763	-0.52263784	0.62569636	-0.08986843	-0.4733614	-0.9759658	-0.5200043	-0.2847398	0.49879184	-0.17643072	-0.13248649	0.848229	0.32246584	0.9994381	0.37548164	0.79381365	0.5820548	-0.592511	0.44652665	0.13260697	-0.5718057	-0.031882953	-0.39275986	-0.47510332	-0.12633288	0.53602093	-0.65335935	0.34666556	0.5930779	-0.6127221	0.38353777	-0.99321634	0.12688245	-0.64622515	-0.2863947	0.26845455	0.59541696	-0.5483677	0.32865337	-0.34116167	0.59242225	-0.2887863	0.71295387	0.64577115	0.355652	0.75335175	-0.3562037	-0.6157447	-0.54734087	0.5194716	0.4255488	-0.14540377	-0.4129966	0.54170245	-0.8067842	0.6643217	0.9961243	-0.24818836	0.7666813	-0.29459515	-0.11580511	-0.4098812	-0.1599179	0.88799673	-0.3054492	0.22296533	0.2973799	-0.5157678	-0.25733665	-0.6907439	0.07454435	-0.45720994	-0.88878345	0.39359564	-0.99317896	-0.67003614	0.9987335	-0.21144822	-0.3738854	-0.80931944	0.24110903	-0.8120978	0.32766232	-0.17461637	-0.35288435	-0.088881776	0.27453643	0.18194109	-0.68023527	0.052454513	0.391531	-0.08600464	0.21397987	-0.7643974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735	1	Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2	-0.4612092	-0.5692395	0.00137386	-0.29164848	0.2872765	-0.6204889	0.09355335	0.09648431	0.3551912	-0.45499212	0.08321487	0.078882225	-0.09155762	-0.6223503	0.7163604	0.67212445	-0.41676518	-0.370666	0.011786057	-0.42458645	0.29382178	-0.62865025	-0.5220821	0.44683367	-0.5097921	0.072354354	0.33924407	-0.46233144	0.114408605	-0.6054967	0.47020784	-0.3161969	0.5779059	0.30577466	-0.25487146	0.10481585	0.3506953	0.004368873	0.99678385	-0.8511405	-0.92820394	-0.6892805	0.7239119	-0.11021196	0.5200063	-0.7335178	0.43060952	0.11298144	0.9016959	-0.3194365	-0.33490628	0.16320649	0.378647	-0.30736881	-0.46606278	0.34996352	-0.7133752	0.13014103	-0.2808815	0.17893997	-0.4215178	-0.32170722	-0.5465413	-0.39869758	-0.12715013	0.38888872	0.5536805	0.21358928	0.14968602	0.5766088	-0.5064963	-0.95310026	0.3850226	-0.6136046	0.23319715	-0.73715174	0.34200138	-0.56561965	-0.25874344	-0.9996315	0.2861221	0.2088748	-0.8895108	-0.49872726	-0.33761418	-0.7132229	0.17445199	0.051068544	-0.69641536	-0.08642627	0.94847244	-0.47436723	-0.10524836	0.7637632	0.9892493	0.5427492	0.48099318	-0.34770063	0.67017114	-0.051095318	0.33241513	-0.58827615	0.14161591	0.9061109	-0.9799636	-0.9076774	0.09790314	-0.08316349	0.99359035	0.35590407	-0.17109543	-0.25809515	0.07493319	-0.8193638	0.07327789	-0.2792347	-0.4979002	-0.031472255	0.99519134	-0.636317	-0.084591195	-0.13162424	-0.1017853	0.566632	0.31725052	-0.47007877	-0.122165985	0.67842823	-0.021985643	0.9993967	0.29763335	-0.19005515	-0.30202565	-0.12299635	-0.38535306	-0.9793991	0.2622347	0.022632627	0.13357915	-0.08849163	-0.99999464	-0.18575464	0.872143	0.5327922	0.7720073	0.00360515	0.266693	0.7896919	-0.64083844	-0.16711082	-0.005641833	-0.754154	0.11173213	0.31071958	0.5280101	-0.14790216	0.1907323	0.71087855	-0.29779413	-0.8757471	-0.90791273	-0.34612575	-0.30051976	0.10534919	0.087219946	-0.2639289	0.02390784	0.03692914	0.41338336	-0.12607865	-0.81172854	0.5513662	0.50948685	-0.05138706	-0.2784923	0.33936563	-0.5992419	-0.41269565	-0.18505707	0.8900181	0.055106897	-0.41710177	0.2996063	0.46221176	-0.14634389	0.5570353	0.48717114	-0.5113391	0.17357087	0.035459496	0.5021735	-0.83673555	-0.6086686	0.25321403	0.13957027	0.47633293	-0.050671514	-0.7832923	0.6318171	-0.20628546	-0.18140833	0.5282276	-0.3436712	-0.29439008	0.23438205	0.25831848	-0.047320757	-0.67030644	-0.121013336	-0.99984723	-0.61161983	0.5827719	0.03259229	0.63874036	0.17073368	-0.6180566	-0.23058127	0.058157254	0.096434325	0.2145689	0.44587693	0.6541562	0.5557712	-0.5107289	-0.97923595	-0.13777702	-0.22896086	-0.33788306	0.38346523	0.70590025	-0.25454736	0.008123617	0.10406898	-0.10282442	-0.037143163	-0.7765493	-0.002889611	-0.8511727	0.29844034	0.1043965	0.91399777	-0.07396427	0.33622825	0.5827352	0.28370616	0.051392052	-0.33211854	0.5144472	-0.5076327	-0.0794695	-0.32141483	0.18478754	-0.5512389	0.20217869	0.028706908	-0.3530465	0.29089266	0.26878616	-0.106159896	-0.58557737	0.33205652	0.37380677	-0.40394217	-0.47966704	-0.44361067	0.60366285	-0.20061128	0.022697298	0.8435018	0.39046922	0.034616258	0.992772	-0.9052614	-0.55771387	-0.08983503	0.8176941	0.551274	-0.40166134	-0.6593045	-0.31227258	0.3325692	0.9992597	0.3751625	0.53136116	0.47184741	0.20682408	-0.63041085	0.50973505	0.8734936	-0.09158848	0.80682576	0.98266435	0.29475686	0.30645627	0.27076986	0.7298686	0.9999998	-0.96671754	0.5158594	-0.38124654	0.3198442	-0.3358791	-0.017014438	0.13221557	0.74717546	0.28484455	-0.745057	-0.63479924	-0.487279	-0.45069382	-0.3999094	0.4615373	0.21744946	0.8111775	0.7437326	-0.20804624	-0.5459423	0.4825	-0.99996924	-0.3161391	-0.3551961	0.18871967	0.19370306	-0.047708735	-0.5891837	-0.0395721	-0.065328985	-0.66252625	-0.8223348	0.62362087	0.38848	0.61604106	-0.65503687	-0.5612905	0.68633354	0.5151976	-0.11684608	-0.15770935	-0.77260536	0.7620024	0.17728141	-0.6058095	0.070937626	0.24243972	-0.30153903	0.21522176	0.030140493	-0.7158373	-0.56673586	-0.3324244	-0.97717303	0.5969879	-0.40488237	0.1334531	0.09443526	-0.007591848	-0.30391428	0.99965477	-0.49624282	-0.19933957	0.016188266	-0.64127815	-0.47672522	-0.17493469	-0.35797822	-0.6573964	0.52289104	0.19950585	0.21972908	0.36786783	-0.39591715	-0.20644073	0.6983938	-0.10300516	0.16829683	-0.9999998	0.16068964	0.072428	-0.13162579	-0.22611754	-0.5094709	-0.27949136	-0.59598905	-0.5959798	-0.8530409	0.12317806	0.06010359	0.023740198	0.67233837	0.06135993	0.51422924	0.7581024	0.8704839	0.2863678	-0.26650307	0.24474725	-0.5405923	-0.1688561	0.86654043	-0.55085695	0.43683696	0.55680573	-0.33866256	-0.21533939	-0.23206271	-0.14684145	-0.40997928	0.43787342	-0.3365169	-0.33232945	0.6896323	0.32465744	-0.5391508	-0.001794452	0.39870566	0.5934568	0.9999999	-0.3808015	-0.9945365	0.44759205	0.99913794	-0.83396524	-0.36586574	-0.9999214	-0.71027255	-0.36863804	0.22855116	0.723565	0.2125744	0.28460088	0.19504745	0.69848174	-0.18344712	-0.6174922	-0.19428499	0.05617345	0.41857812	-0.224959	-0.9999965	1	-0.7485934	0.58479613	-0.58276683	0.47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750	1	Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O	-0.7103649	-0.53009766	0.3906212	-0.17819732	0.26235628	-0.55454797	-0.5392099	-0.29279283	-0.69901156	0.54974884	-0.20875348	0.41881967	0.036101457	-0.656399	-0.25465745	0.6478449	0.08231851	-0.13519824	0.110477276	0.44929487	0.28849876	-0.3598353	-0.36894017	0.6183806	-0.8306848	-0.5333436	-0.024152426	-0.3400935	-0.34333253	0.26813728	0.72939014	-0.09838776	0.2568791	-0.74032056	-0.6319981	-0.27282724	-0.18461516	-0.22855675	0.99762475	-0.6239655	-0.9345952	0.06562115	-0.39418483	-0.15305561	-0.36689764	-0.80079156	-0.25776294	-0.115183815	-0.13734007	0.04724552	0.10506749	0.30102	0.43054163	0.06007897	-0.23482086	-0.37673384	-0.36863115	-0.119657405	-0.47792834	0.43556866	0.7248393	0.032187555	0.31040683	-0.08145626	0.2607455	-0.18209529	-0.25165784	-0.38732275	-0.6227577	0.34229735	-0.9800339	-0.98832524	-0.100335605	-0.5812345	0.25454697	0.37827024	-0.45373613	-0.15629362	0.8012119	-0.99940956	-0.543721	-0.12980253	-0.9892488	0.26358065	0.31608063	-0.6203398	0.3159384	-0.55526394	0.14365448	-0.007049264	0.2604503	-0.38328817	-0.5328443	-0.3751583	0.99345315	-0.3212337	-0.13598412	0.047876667	-0.7208143	0.06597558	-0.18294096	0.18893602	-0.046144024	0.9458095	-0.97702545	-0.19862075	-0.6338743	0.53670985	-0.93504703	-0.47769034	-0.5316088	0.9211096	0.65761304	0.07710167	-0.062306315	0.42674306	0.26842642	-0.59739786	0.9914717	0.13224351	0.12760766	0.3525754	0.09024685	-0.5247832	-0.5038734	0.10175336	0.111889265	-0.24486361	-0.41296583	0.9982339	0.2292658	0.16154338	-0.3050955	-0.24248435	0.7656776	-0.9909042	0.18265596	0.6024464	-0.45047787	-0.884418	-0.9999998	0.046159167	0.8346033	-0.19923756	-0.53573763	0.6278132	0.16507179	-0.050179947	-0.68629694	0.49378997	-0.41802144	0.16804543	0.09067107	0.38810685	-0.50008446	-0.04566524	0.20029412	0.5548781	0.057310652	0.22902355	-0.9087295	-0.31827697	0.31364334	-0.11525512	0.1590013	-0.006778791	-0.06447525	-0.3775022	-0.15032637	0.32574317	-0.26237774	-0.36656415	-0.4947154	-0.030587558	-0.24199724	-0.72884476	0.08750391	0.6329826	0.13463622	-0.61204493	0.3019089	-0.7695824	0.06774283	-0.112255245	-0.004147841	0.3882161	-0.19645198	0.5426198	-0.20624304	0.2314047	0.099644996	0.59653574	0.21402948	0.03713621	-0.62159264	0.75330925	0.6357306	-0.6782686	0.2965487	-0.10344688	0.58771116	0.18610732	0.009593513	-0.20877211	0.57143146	0.00335029	0.68768436	0.006158482	-0.1781764	-0.99980766	-0.21324435	-0.11388015	-0.6092205	-0.2443561	0.12653647	-0.6061086	0.55377305	-0.000218066	-0.46928483	-0.18956156	-0.40779722	0.21798158	-0.32651982	-0.31998962	-0.98562795	-0.2263457	0.21428722	0.399216	0.07559357	0.103767596	0.052154936	-0.19525984	-0.036582768	-0.2477612	0.2514333	0.34618446	0.58534425	0.3246878	-0.22310686	0.09603373	-0.96556556	-0.7096045	-0.086223274	0.14001486	0.18250209	0.14397737	-0.6102956	-0.26672328	0.8888151	0.156847	0.42887884	0.18286201	0.38052103	-0.3652391	0.35974768	-0.10135753	-0.14186971	-0.3010873	-0.14071806	0.26626974	0.29362008	0.13146746	-0.16831854	-0.051696327	0.7603387	0.6435796	-0.6593783	0.11346762	0.76726604	0.19746923	-0.29753834	0.97301435	-0.0791669	0.64394593	0.33827785	-0.062292334	-0.07426725	-0.70973086	-0.6603525	-0.03076918	-0.30092624	0.9985682	-0.44114205	0.24951264	0.44757134	-0.15104227	0.1773015	0.5267291	0.87877774	0.66532	-0.19284776	0.9636778	-0.5146048	-0.058742773	-0.65188795	-0.2739888	0.9999998	-0.9246939	-0.41715682	0.035155915	-0.17756969	-0.28623602	-0.32376137	-0.5751458	0.5996709	-0.31796712	-0.8047092	0.30306247	0.46681446	0.22963089	-0.3670057	-0.8653465	-0.1437474	-0.011468175	0.4149716	-0.23592183	0.6556305	-0.122027665	-0.9858349	-0.5096933	0.07526996	0.37771726	0.7191949	0.12693524	0.23814854	0.48583397	-0.061700262	-0.6976194	-0.43727887	0.35415763	0.32644707	-0.3449214	0.017235931	-0.24706669	0.73436624	-0.3376198	0.12186935	0.85310364	-0.72621167	-0.15440239	0.37522218	-0.1808732	0.6049547	-0.13853744	0.59113705	0.15768103	0.30774602	0.34740153	0.16571273	-0.65709203	-0.96539426	-0.18563253	0.13305323	-0.028370548	0.4890157	0.39260992	-0.4173369	0.99966174	0.046060137	-0.8506529	0.44211653	0.5039601	0.32610473	0.62300676	-0.6214711	-0.05017874	-0.10109471	-0.1576528	0.013504674	-0.2847667	0.40590316	-0.21210445	-0.10246546	-0.5719634	-0.6509465	-0.9999999	-0.24478464	-0.20065436	-0.07307139	0.14366843	0.11456859	-0.15920618	-0.030687077	0.7216864	0.17540893	0.124661475	0.11813848	0.08285536	0.42664644	-0.6409301	0.16994376	-0.8615146	0.20502762	0.2181491	0.115006685	0.5352948	0.7577371	-0.45189095	0.23135205	-0.10778616	0.26568544	-0.33543706	0.27228692	-0.46793246	-0.17816392	0.10904184	-0.35185465	-0.8969283	-0.40791816	0.57222736	0.42552322	-0.42348439	-0.09111248	-0.49589968	0.08740059	0.55638283	0.999974	0.45483646	-0.96997833	-0.19316508	0.9995805	0.46626577	0.082620576	-0.99911326	-0.4760448	-0.3867	-0.39877003	-0.4692702	-0.5235113	0.15107419	-0.7515229	0.51607203	-0.43673372	-0.10510259	-0.29238376	0.08211507	0.21454816	-0.5481082	-0.9999689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751	1	Cc1c(O)c(=O)ccn1C	-0.028303977	0.058432844	-0.287108	0.09901863	-0.3821086	0.5691756	0.13543545	-0.58144146	-0.6406681	0.7996405	-0.5335571	-0.3307161	-0.13084327	-0.7760819	-0.19723108	0.48655307	-0.47380772	-0.541099	-0.13471831	0.12262796	0.34621873	-0.83375746	0.09030381	-0.07100452	-0.47233027	-0.14906552	0.40534788	0.43523616	0.111200884	-0.1315341	-0.54835284	0.37330347	0.21612626	0.49629566	-0.15232994	0.14444435	-0.22315691	-0.17399727	-0.28385115	-0.69285357	-0.9838596	-0.07671175	0.018006312	-0.3862756	0.5186855	-0.99690133	-0.07443669	-0.012878573	0.9158199	0.17707255	-0.18030454	0.14010617	-0.33834112	0.34278607	-0.8953792	-0.19654474	-0.6095756	0.9546925	-0.6297634	0.2943255	0.29763818	-0.09404899	0.1858709	-0.195809	0.000515999	-0.32219285	0.5685687	0.112073034	-0.6325036	0.57977605	0.6304404	-0.9996743	-0.45449618	-0.31174675	0.15918851	0.5130764	-0.26845726	-0.20129818	0.03604388	-0.99974555	-0.68580717	-0.20443568	-0.9404385	-0.7139194	0.12209626	0.9077443	0.5686045	-0.74106485	0.14914393	0.095087595	0.39640355	-0.34781188	0.06533795	-0.000292703	0.9163316	0.51049036	-0.30216447	0.52606064	0.3117186	0.1966271	-0.54237473	0.21362337	-0.007747032	-0.8577236	0.9590168	-0.6765665	0.5226254	0.033191863	-0.9043522	0.5805907	-0.6507675	0.065484315	0.3442271	-0.08148455	-0.16471288	0.2902866	-0.021146048	-0.47144932	0.9996264	-0.5238279	-0.24414018	-0.34468377	0.14107339	-0.37875715	-0.052895397	0.19024396	0.18956414	-0.2167454	0.015280233	0.9530883	-0.4389294	-0.5443893	0.42412186	-0.6265004	0.42657143	-0.3850277	0.25166532	0.22878376	-0.7937095	-0.52617073	-0.99874777	0.07433066	0.98334	0.4784823	-0.6971464	0.10302037	0.67060935	-0.01960395	0.9930335	-0.013050297	-0.13869396	-0.8002134	-0.5929181	-0.019105123	0.53882104	-0.7437257	0.3190661	0.9995053	-0.44613695	-0.7638164	-0.9959324	-0.6308564	0.36283663	0.25638673	-0.1966506	0.2600637	0.4364269	0.3351006	0.37595025	-0.038081646	-0.82258004	0.09063236	0.34186855	-0.03770713	-0.4458552	-0.7643786	-0.5463209	0.36069041	0.28254437	-0.62323236	0.2840814	-0.79020154	0.15367772	-0.13859576	-0.63023627	0.22232825	0.09483609	0.121943876	0.12439459	-0.22448534	0.8496257	0.47303972	-0.060986966	0.15513915	0.40803352	-0.461748	0.29705307	-0.6561167	0.024945762	0.12848791	-0.48842654	0.09568796	-0.46762788	-0.8285611	-0.014057815	-0.020746043	-0.24794549	0.399453	-0.43309838	-0.8035123	-0.45915526	0.12946367	0.027348451	0.25296822	0.060801037	0.016476097	0.07421754	0.64283204	-0.41657132	-0.20026103	-0.4026487	-0.55469894	0.68605334	0.3722132	0.99000466	-0.6022429	0.029527204	0.481309	-0.32640323	-0.15155682	-0.034140028	-0.2965297	0.15369362	0.20348904	-0.020407464	-0.29092675	-0.45200077	0.33583087	-0.058305454	-0.057752736	0.74969894	0.3609956	0.34380627	-0.783846	-0.010893457	0.3288882	-0.020968312	0.4530445	-0.2743538	-0.6794876	-0.3305512	-0.99755573	-0.2658969	-0.09162343	0.15379095	-0.06286686	-0.062055867	0.4754358	0.5771879	0.6017654	0.19321159	0.2667639	0.21905294	-0.2873157	0.13381383	-0.12576792	-0.44244185	-0.09689137	-0.045797832	-0.5060382	0.15511718	0.7788099	0.39801687	0.29079548	-0.036562275	0.058382552	0.25035104	0.11685105	-0.2756361	0.07941696	-0.72008157	0.99949515	0.26907423	-0.000984229	-0.052137785	-0.23401664	-0.4178973	-0.68813896	0.23246354	0.08882833	-0.076912165	0.99973917	0.24754319	0.879805	0.19287597	-0.20202605	0.9993108	-0.29678094	0.3342076	-0.26179975	0.37950173	0.7056671	-0.03951651	0.4228732	0.48582736	-0.47910967	0.9992427	-0.102523126	-0.80304503	-0.50506204	-0.042097416	-0.4689348	0.359105	-0.72968274	0.2749652	-0.54075795	0.5550985	-0.61949366	-0.9707399	-0.10983446	0.34420314	0.508189	0.47156477	0.35420227	0.39007032	0.4456359	-0.19244193	-0.5367665	-0.47606337	-0.020110516	0.4311361	-0.19707575	0.45946506	0.6276182	0.0940978	-0.9092049	0.24778347	0.5288312	-0.6156325	0.46918774	0.23330405	-0.2207366	0.1643541	0.32026026	0.16914445	0.040848784	0.32425308	-0.33090198	0.50627685	0.9737689	-0.99389696	0.38699734	0.24686262	-0.36385012	0.14409253	0.21637565	-0.07593812	0.9928572	-0.25338447	0.17648198	-0.12404187	0.39924657	-0.21018334	0.19549134	0.09663625	0.5099984	0.18147816	0.5806401	0.35114795	-0.3660361	0.4869932	0.42433676	0.5923128	0.82089156	0.4522658	1	-0.6993853	-0.15907143	0.08441074	0.18443733	-0.9484894	-0.5503764	-0.5057625	-0.62505597	0.2718276	-0.39891613	0.31990063	-0.6344061	-0.65753615	0.8818388	0.2924514	-0.1141501	-0.16775297	-0.5739317	0.19993226	-0.37049818	-0.020200036	0.6641075	0.86233443	0.8462749	-0.76991606	-0.2099659	-0.115299165	-0.29999787	0.10406596	0.036871478	-0.72760355	-0.8256897	-0.04790763	-0.16264366	0.44257087	0.24047282	-0.11564545	-0.26288128	0.2786734	0.5599699	0.9999404	0.13217993	-0.9953056	0.06772797	0.999472	0.2718896	-0.18896224	-0.9981249	-0.74407506	0.7864091	0.6302225	0.09217044	-0.37878725	0.0183917	-0.5351379	0.8854625	-0.303753	-0.27519047	-0.071165934	0.12575915	0.6199157	-0.16571535	-0.99994856	-0.99765825	-0.99808633	0.01950176	-0.39272568	-0.36718345	-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776	2	CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O	-0.66418654	0.70409495	0.40656132	0.10870505	-0.40862656	-0.28292543	0.20133567	-0.72165763	0.23993678	0.5641123	-0.017834995	0.088168375	0.23130076	-0.12847805	-0.26237527	0.85600084	0.03952574	-0.39506269	-0.3476174	0.52412456	0.73523086	-0.26661384	-0.46847942	0.31168097	-0.22924723	0.0526856	0.71207744	0.06840265	-0.56113166	-0.00143226	0.39673448	-0.6553118	-0.19386446	-0.050279073	0.2030129	-0.15773626	-0.13889052	0.29727092	0.9993275	-0.22845617	-0.84886473	0.059846878	0.5850058	0.14971201	0.33913076	-0.4748909	0.009073173	-0.003579739	-0.024252996	0.2751746	0.03682223	0.23375796	0.2849832	-0.1882421	0.3613048	-0.012052662	-0.52589226	-0.5426397	0.004074171	0.4554184	-0.19252264	0.33197692	0.11457312	-0.59157336	-0.3799723	-0.08048343	-0.05081107	-0.20586567	0.43402004	0.48304456	-0.84156346	-0.99671984	0.59668666	0.02231948	-0.5454096	0.23670502	-0.56356514	0.3142182	-0.069549195	-0.9984302	-0.020423083	0.09542831	-0.9194805	0.45597842	-0.5284828	0.14508775	0.6471825	-0.36513847	0.34648344	0.17204641	-0.58114326	-0.51983595	0.28832176	-0.12552653	0.99972665	-0.12672824	-0.5300917	-0.10230876	0.76406664	-0.40029377	0.135797	-0.38501957	-0.37830994	0.83337146	-0.9942789	-0.50979555	0.27435663	-0.017932039	-0.99889076	0.40939176	-0.09868734	0.4922182	-0.70356447	0.09525477	0.22975895	-0.13560507	-0.4234848	-0.6367825	0.9919595	-0.60561717	-0.37790158	-0.5104139	-0.6463041	0.18273035	-0.84623814	-0.17216675	-0.614562	-0.5508582	-0.84632564	0.97824746	0.4988876	-0.031239972	0.08077011	0.40301222	0.16027582	-0.96170026	0.86746895	0.38932025	-0.48194423	-0.07512852	-0.99999416	0.3748876	-0.008255576	0.24914363	-0.01745043	-0.004546476	0.40432277	0.33551028	-0.94168955	-0.105455406	-0.3150538	0.7157447	0.09571828	-0.47073668	0.2521745	0.12886606	0.62881523	0.045071322	-0.6831201	0.46421835	-0.8186073	-0.6017964	0.003971876	-0.29997778	0.07308099	-0.28870207	-0.06593105	-0.042940672	0.33275744	0.1685859	-0.27221933	-0.22295308	0.47128916	0.4990663	0.39820123	-0.8351847	-0.36674017	0.12762134	-0.3268086	-0.36249095	0.13982047	-0.9983214	-0.11742928	-0.31211567	0.3988147	-0.034960557	0.24736027	-0.14106017	-0.7258615	-0.54734325	0.30067378	0.63796306	0.33448458	-0.23234482	-0.12668969	-0.35582826	-0.4669552	-0.23269862	-0.21895185	0.028346542	0.56093895	0.3009263	-0.42668465	-0.5666551	-0.23354647	0.2262214	0.69850886	0.8687701	0.20276228	-0.99991137	0.55239964	-0.4449669	-0.16978082	0.3840421	0.2187838	0.12696457	-0.45956147	0.032786477	-0.18279894	-0.20298114	0.8939826	-0.21831699	-0.76339555	-0.1174879	0.9913734	0.40539894	0.48754457	-0.09764343	-0.58450925	0.75210536	0.45969376	-0.4763145	0.78462666	0.07499017	0.4443348	0.11674104	-0.24233362	-0.7185841	0.18349017	-0.5076019	0.9159764	-0.05294359	0.1370583	-0.05154529	0.44727752	0.29312173	0.15887016	-0.28113562	0.8516207	0.01578439	0.16346727	-0.7113385	0.38183078	0.059197675	-0.02490369	-0.3060401	0.118815914	0.045399588	0.2642385	0.26958197	0.44488198	0.53869534	0.66501427	-0.69562835	0.094814554	0.43886587	-0.085319854	-0.090932384	0.40872598	0.14243093	0.44511655	0.966225	0.4914516	-0.44398272	0.23194008	0.27070484	0.77472806	0.49607438	0.12309103	0.51768637	0.51654583	0.9969591	-0.50743914	-0.19441229	0.19512169	-0.44911006	-0.009936051	-0.7647318	-0.97328365	0.48914814	-0.12287782	0.927941	-0.07591673	0.11148269	-0.48442245	0.033337906	0.99999946	-0.67350554	-0.1467055	0.55054164	-0.19650266	0.51105046	-0.30213597	-0.34908172	-0.60504884	-0.4960239	-0.90428233	-0.4331965	0.22873005	-0.3462721	0.26426995	-0.8077489	-0.098154046	0.029212128	-0.9179892	-0.54942137	0.034184035	0.33464107	0.8891076	-0.18417816	-0.082333006	0.45151454	-0.6533506	-0.10485658	0.085962206	-0.22449519	-0.8067595	-0.3394648	-0.4684511	0.46868047	0.4983627	0.054042604	0.23016359	-0.77116823	0.20746596	-0.75245225	-0.36295587	-0.18857963	-0.73767155	0.2380498	-0.18833113	0.15320268	-0.22448821	0.5068042	0.009642405	0.04079574	0.6119237	-0.53017783	-0.22102657	-0.84617376	-0.9072835	0.8077279	0.8781287	0.2798124	0.3554724	0.30965316	0.4968957	0.9998359	0.4858348	0.3943352	0.24776216	0.34897345	-0.88574636	-0.00786644	-0.23588184	-0.56011754	-0.122657046	0.18283236	-0.7031504	-0.82665914	-0.08041143	-0.08338322	0.53644276	-0.64638865	-0.3069291	-0.9892623	0.6302445	0.14362325	-0.013977268	0.2811271	-0.6359724	0.02700482	-0.8321101	-0.61582124	0.2793676	-0.17164165	0.76093227	-0.02932618	0.21030216	0.003290198	0.4615658	0.37034845	0.15580368	0.25064597	0.4563147	-0.4739022	-0.37595233	0.4344621	0.36075705	0.6122549	0.9668741	-0.3414213	0.7110647	-0.45312315	-0.6653544	0.052727543	-0.4103939	0.23323092	0.4747818	-0.15472268	0.032541513	0.3864142	-0.24885367	-0.61672133	0.1291906	0.2677007	0.97525126	0.10156107	-0.9811138	-0.18961899	0.9999316	0.34347826	-0.021353452	-0.98283744	0.22209896	-0.3956992	0.6593705	-0.13935302	-0.1744216	-0.18334319	0.046308197	0.8483428	-0.23131928	0.28894672	0.18944694	0.64304596	0.19665973	-0.029083587	-0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813	1	CCCNC(C)C(=O)Nc1ccccc1C	-0.79568815	0.19189465	0.384289	-0.1835897	0.1158666	-0.26494452	-0.29779553	-0.39350215	-0.07887065	0.07939344	-0.89682806	-0.5265927	-0.07736235	-0.6413188	-0.3100524	-0.29457435	-0.30489457	0.14646384	0.3162227	-0.022993531	-0.44795394	-0.8557349	-0.028635228	-0.15923369	-0.08042704	0.64893687	0.07866982	-0.06962469	-0.119749136	0.7442911	-0.57232857	0.021109972	0.21892633	-0.29077473	0.20094869	-0.0517461	0.23974678	0.32380053	0.8578396	-0.8124445	-0.9966212	-0.2024142	0.25852	0.1055161	0.2318541	-0.99114615	0.08671746	-0.3098134	-0.3888851	0.5267754	0.13739166	-0.12543184	0.30520007	0.032039903	-0.5084012	0.04788021	0.012221911	0.87071097	0.056456175	0.445864	0.12678874	0.01141886	-0.18607363	0.20035547	-0.05476069	0.15165298	0.2776002	0.25938785	-0.36270455	-0.008708834	-0.8726788	-0.9930507	0.1397153	0.42839998	0.55146223	-0.23708943	-0.7141703	-0.49111965	0.48176387	-0.99880713	-0.54889834	0.4526673	-0.8442637	-0.44109595	0.16755925	-0.37581858	-0.37103248	-0.24859256	-0.25472122	-0.19695315	-0.3766803	0.024070853	-0.15827464	0.54901445	0.96531093	-0.3571556	-0.003305009	-0.31541	0.58828884	0.24708414	0.09434379	-0.16399083	0.22433199	0.76408035	0.3919835	-0.059866257	-0.003416834	0.27849647	-0.9989927	-0.60853785	0.32779786	0.34375775	-0.4783118	-0.07088078	-0.15356983	0.5030797	0.022952573	0.41210502	0.99827254	0.22448558	0.1022332	0.008185229	0.42288083	-0.2511466	-0.21739608	-0.29691344	-0.082171336	0.10396514	-0.35847637	0.999439	0.20389876	0.20887278	-0.07987288	0.12776372	0.019545145	-0.9697992	-0.32087508	0.72069275	-0.75061697	0.66539425	-0.9898758	0.15144019	0.97831684	-0.15022302	-0.74430203	0.6025012	0.13900827	0.52874494	0.9630063	0.001559148	0.028560832	0.66036415	0.054967526	0.19506468	0.21768986	-0.3030443	-0.1480838	0.9940061	-0.55411845	0.98008174	-0.97986627	-0.5089552	-0.4845449	0.53779346	-0.049727682	0.29470545	0.33348972	-0.06487651	-0.20415203	0.48925364	0.34564844	-0.58002	0.403105	0.008386661	-0.4664093	-0.9598068	-0.6676882	0.46327975	-0.3028846	0.036762822	0.3154914	-0.52802634	0.16911998	-0.28674775	-0.7640732	-0.4682168	0.4642014	-0.24694298	0.4138218	0.047381714	-0.48304945	-0.19129904	0.117151275	0.6773523	0.2776606	-0.73653096	0.27479634	-0.81086296	0.64315116	0.45343497	0.51102215	-0.22927335	0.25636408	-0.1769325	0.40254137	-0.27427894	-0.3179367	0.37939423	0.037371997	-0.99757856	-0.18079777	-0.36885417	0.39074644	0.024485385	0.43246317	-0.5127989	-0.1752618	-0.46020812	0.022412945	-0.39116564	0.5301205	0.020810133	-0.58141696	0.2538132	-0.972125	0.1496772	0.19502226	0.23862408	-0.33563477	-0.17401703	-0.06611728	0.42284024	-0.3149068	0.52139276	0.3786195	-0.3996735	-0.33515197	0.16467975	-0.045770124	0.18199345	0.91176003	-0.31756753	0.07619855	-0.5900101	0.119669594	-0.61494356	-0.63198197	0.14720216	-0.18940401	0.09520143	-0.45736465	-0.998454	-0.57548016	0.4982692	-0.27105355	0.23494382	0.014543549	0.042127408	0.3779258	-0.24744077	-0.52807176	-0.04281652	-0.6385824	0.001568864	0.5016876	0.42952138	0.11702734	0.06697905	-0.93350804	0.19665517	-0.6463731	-0.016631564	-0.007364672	-0.2234909	-0.03905194	-0.7410037	0.13744327	0.2633448	0.17356616	0.4867126	-0.017350445	0.99951786	0.29410407	-0.3896467	0.3004148	0.36624348	-0.29472318	-0.7327447	-0.9732277	0.38336322	0.11043046	0.9984713	-0.28749755	0.54511213	0.22085741	0.010956511	0.9976017	-0.90540457	0.052829612	-0.006844671	-0.30437174	-0.29671818	0.24998277	-0.61154795	-0.54091	-0.42599884	0.90431166	0.51697874	0.6263724	-0.09106505	-0.51256925	-0.44845456	-0.15632416	0.18277034	0.6911516	0.009253658	0.17880511	-0.1731104	0.9413899	-0.58763045	-0.23101218	0.7545434	0.34012803	-0.49894437	-0.32612258	0.34805608	0.29451704	-0.93728703	0.32705554	0.5742688	-0.39315176	0.11312293	-0.45181078	-0.2883808	0.5516504	-0.45107755	0.21498197	0.3730285	0.16012219	0.5265258	-0.15802054	0.12147148	0.0641709	0.7342662	-0.07775357	0.4283452	0.11764364	0.31390864	-0.30116338	0.67539465	-0.9955606	0.53270316	0.5446333	0.45325017	0.1844287	-0.055020787	0.2104122	0.99987787	0.116899945	-0.7117281	0.15702002	0.25528556	0.5433094	-0.41919163	-0.74836504	0.28181216	0.26342824	-0.4657734	-0.1891617	-0.3730555	-0.45885742	-0.19714044	-0.60732925	0.73981875	0.3802353	1	0.18231636	-0.12788443	0.3999204	-0.05692272	-0.38898617	-0.35726503	-0.030454194	0.53809077	0.61012423	-0.5086914	-0.14730921	0.10425361	0.58062017	0.40265658	0.56521755	-0.07425719	-0.20469971	0.03202125	-0.4085143	-0.75128645	-0.2231759	-0.67375726	-0.4554927	0.3143054	-0.75481963	0.53811294	0.4075106	-0.099886745	0.3332145	-0.22084735	-0.3789114	-0.53612065	0.34023046	-0.32333523	0.6359377	-0.14609611	0.10882992	0.044792354	0.28097582	0.2997252	0.97772753	0.20650128	-0.97896576	-0.088404045	0.9998969	-0.008146843	-0.4853196	-0.9824852	-0.03991849	0.36069396	0.3321081	0.120180905	0.4525396	0.36755013	0.16981299	0.19532579	-0.078416996	-0.31151834	-0.6428603	0.21982	0.20064896	0.18300785	-0.99991465	-0.99916536	-0.9456083	0.58753914	0.62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814	2	Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1	-0.7191871	-0.54756707	-0.20624714	-0.14383332	0.48737225	0.15720189	-0.030951463	-0.34400466	0.50252104	-0.4785516	-0.59929293	-0.27535892	0.61469615	-0.14837493	0.5470093	-0.20560786	-0.48684433	0.39853448	-0.6128878	-0.6130366	0.63658494	0.5893802	0.675878	0.48355788	0.14741218	-0.37452635	0.27624625	-0.006327087	-0.06724914	-0.4114906	-0.11657769	-0.18168905	0.2683273	-0.07862254	-0.3047937	0.65455306	-0.57706743	0.07774836	0.99903643	-0.75122666	-0.22878976	0.08631331	-0.17024003	-0.025550498	0.7881985	-0.20198524	0.5733148	0.2556829	0.8718761	-0.097215354	0.31395674	0.081889726	0.6784816	0.5043179	-0.67060363	-0.44386554	-0.68857163	-0.61071426	0.09139086	-0.014073701	0.058209438	0.08592129	0.51681834	-0.5883234	0.09334495	0.6925172	0.22648826	0.21857171	0.3336042	0.733828	0.123059206	-0.8892688	0.61204505	-0.87333554	0.19120212	0.42325863	0.338868	-0.41332147	0.21083812	-0.9995075	0.35928243	-0.15812156	-0.8644353	-0.43985862	-0.28269228	-0.88173884	0.19987825	0.438395	-0.60240716	-0.3587847	-0.20268254	-0.42793512	0.28330752	0.25119334	0.96775734	0.085313275	0.74405444	-0.3330387	-0.086688615	0.049161322	-0.087145165	-0.25056165	0.57381475	0.9148729	-0.996615	-0.8660481	0.07779624	-0.34365654	0.9923583	0.23466575	0.540513	0.001341706	-0.08329944	0.082671456	-0.27536374	-0.120940134	0.34128317	-0.17212012	0.980435	-0.29711547	-0.41653207	-0.25115678	-0.16176589	0.39500085	-0.09549953	-0.41483954	-0.19464822	-0.05056461	0.10887117	0.99952894	-0.24668013	-0.076997414	0.5016982	0.030741712	0.74761933	-0.9760836	-0.20846155	0.4974656	-0.42660797	-0.4592884	-0.9999886	-0.4156368	0.5243366	0.38229966	0.28947303	0.13025205	0.23512551	-0.7652843	-0.9308419	0.46939874	0.14930862	-0.7851659	-0.59960073	0.40933475	0.40335596	0.5347914	-0.5451587	-0.29852825	-0.56740236	-0.9433902	-0.7638234	0.63709784	-0.08139815	0.29098386	0.22565009	0.28296015	-0.5381578	0.66672987	-0.22583626	0.4028737	-0.30718103	-0.5712537	-0.38191494	-0.7449217	0.6281899	-0.8134314	-0.4565135	-0.34686327	-0.4363556	0.45239228	0.38715762	-0.967843	-0.38100708	0.3288372	0.13370454	-0.19246279	0.14847599	0.25416172	0.24997605	-0.4912243	0.58314794	0.14846817	-0.428498	0.63849825	0.7975627	0.30473408	-0.42235994	-0.718198	0.32659382	-0.4617332	-0.022285946	-0.2710768	0.10527764	-0.22917482	0.09268538	0.6756191	0.14480257	-0.37510553	-0.71429974	-0.9997495	0.46264914	-0.48988104	-0.2929654	-0.1059399	0.010691297	-0.48990428	-0.29241484	0.66529685	0.35847843	-0.13098931	0.12746185	-0.6428962	0.28376755	-0.40139487	-0.9748569	0.18949743	0.17005372	0.55803543	0.26951283	0.24860464	-0.0696539	-0.30806962	0.32996196	-0.6775851	0.29502365	-0.6210393	-0.08327804	0.3466494	-0.30636433	0.5892188	0.69181305	-0.25068492	0.5648615	-0.23066792	0.60358655	0.48123652	0.0870571	0.15410438	0.40621576	0.31292203	0.08761619	-0.7991946	-0.06328433	0.2542872	-0.13434052	0.15495132	0.44803357	0.027472602	0.20271383	-0.3474692	0.060129248	-0.41964972	-0.17149636	-0.5965074	0.45001343	-0.014417232	0.109791964	-0.4889944	0.9587972	0.6192394	0.40044484	0.98958725	-0.4664105	0.10509072	0.25638032	-0.49507493	-0.16750194	-0.548718	0.3239414	0.37261766	0.506223	0.99533296	-0.59135544	0.24995294	0.4738352	0.16550542	-0.5751804	0.82705957	0.8573701	0.19235137	0.5729261	0.8231969	-0.5548185	0.48244926	0.33293235	0.16035323	0.9999974	-0.98683155	0.5744968	-0.76122385	0.33215028	-0.49338594	-0.8010025	-0.02227715	0.80822515	-0.3982324	-0.9671669	0.15834528	0.3593287	0.09170326	0.45658848	-0.22015893	0.27724993	-0.72479826	-0.48052403	-0.7384517	0.44909674	-0.11637294	-0.99995667	0.1099611	-0.44343275	-0.13364293	-0.12490544	-0.2705749	-0.47004342	-0.121733665	0.7327467	-0.60392684	-0.5052554	0.11009688	0.50312805	0.026637075	0.20117356	-0.29430655	-0.1700297	0.46953478	-0.14491268	0.34916604	-0.394176	0.3686504	-0.2521254	0.33772826	-0.03588645	-0.013182754	-0.43104705	0.531254	0.5684587	0.013334898	-0.35537684	-0.8021566	-0.9051718	0.6115588	-0.050460108	-0.7342362	0.29113373	0.3708926	0.65524775	0.99854803	0.5505362	-0.096837506	-0.047128752	0.3820085	0.2717627	0.4760017	-0.7482545	-0.7531482	-0.16375746	-0.46157593	0.14789945	-0.40217707	-0.09143373	0.6788532	0.7149081	-0.49705037	0.05988982	-0.99578214	0.1463962	0.14438193	-0.13148	0.47223702	-0.5367922	0.46003574	-0.36008576	-0.72973186	-0.48736605	-0.15198179	-0.007094329	-0.2564339	-0.058573287	0.6674501	-0.16327147	-0.21287677	0.1916543	0.08046202	0.53310984	0.015134668	-0.23451377	-0.030744046	0.5663434	-0.21108444	0.69049615	0.70054936	0.44828114	-0.43425757	-0.22952223	-0.6071671	-0.52300966	-0.6581579	-0.14154574	0.6289904	0.53597283	-0.6260565	-0.015582555	0.5534931	-0.061405364	0.29217085	0.9999997	0.6228716	-0.949548	0.63103485	0.9982732	-0.083654374	0.11776243	-0.9998945	0.52965695	-0.5164253	0.63668036	0.6426287	-0.5284816	-0.11697757	-0.12528662	-0.21251366	-0.61343	0.06446431	-0.07183977	-0.39778855	0.00942519	0.00168766	-0.9999733	0.9999999	-0.11922169	-0.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818	2	CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1	0.31333745	0.115141094	-0.044637654	-0.35680032	0.40371972	-0.53956413	-0.49438882	-0.09777648	-0.16271691	-0.09123404	-0.47970855	0.20012496	-0.42344627	-0.5542915	-0.32542145	0.06720965	-0.458981	0.43650883	-0.6547492	0.777775	-0.14960253	0.19853033	0.060430735	-0.74277127	0.100672066	0.48317307	0.27784476	0.29400742	0.19695218	0.10913609	-0.09022943	-0.6975562	0.09193883	0.028483286	-0.16996267	0.17455134	-0.030666355	0.389656	0.99966687	-0.3014456	-0.47409067	0.3727616	0.23760551	-0.185592	0.16580297	0.14761898	0.24170095	0.024380242	0.99719584	0.032604862	-0.32674462	0.17740116	-0.48736152	0.795406	-0.9064811	0.3385801	-0.28214884	-0.8164512	-0.41633126	0.92386734	-0.21527591	0.3586967	0.39328453	-0.51455015	0.08527505	0.48913008	0.7594016	0.7558648	-0.59750944	-0.43559027	0.7657288	-0.65746737	0.40885258	0.63316965	0.7899816	-0.7917421	-0.26281154	-0.4126712	-0.2705577	-0.99795026	0.46996722	-0.10110755	-0.8636523	0.13826947	0.2279783	-0.86072266	-0.122711316	-0.4418203	-0.5427553	0.6313849	0.74183047	0.1084435	-0.47744936	-0.759714	0.97141147	-0.018884921	0.7134962	0.16939834	-0.38800108	-0.47531623	-0.15704952	0.1511642	0.13930471	0.6518424	-0.99876225	0.19437425	0.16995777	0.1533679	0.98429966	-0.7581616	0.1381277	0.29337198	-0.31624323	-0.5043982	-0.37976933	0.8260381	-0.5293443	-0.20018497	0.9641927	0.31752244	-0.021397246	0.1042491	0.2930965	-0.50708896	0.4026404	-0.38711658	0.494688	0.42701066	0.41678065	0.9999178	0.27904555	0.27548617	-0.03593933	0.3358574	0.2369531	-0.9939375	0.6347018	0.51020145	-0.8488746	-0.48937514	-0.99992365	0.53198665	0.8721235	0.12172318	0.078058876	-0.3927723	0.19863686	-0.033494134	-0.9857738	0.07844166	0.39791414	-0.83374614	0.7908251	0.09370195	-0.08561999	0.437091	0.62411165	-0.67432994	-0.8255643	-0.9289963	-0.44933283	0.1433514	-0.8656051	-0.486933	-0.65382844	-0.10667013	0.5623415	0.14404888	-0.7038389	-0.1995666	-0.18564986	-0.5555899	0.185566	0.5748223	-0.2547784	-0.94446325	-0.46045783	0.17346857	-0.79144824	-0.121513374	0.39868668	-0.4762893	0.003170448	-0.38660786	0.9195295	0.036273155	0.6365017	-0.5117336	-0.44025654	-0.7916567	-0.36495548	-0.54632306	0.16415358	0.65638065	0.03897839	-0.07686418	-0.34697014	-0.9382894	0.60680956	0.4298986	0.040552456	0.4942129	-0.10646432	-0.090415396	0.65832025	0.056522936	0.013822069	0.020067558	-0.4775809	-0.9999599	0.5576655	0.67672896	0.44111654	0.40023655	-0.010531818	0.46116152	-0.49835378	0.38697043	0.2234183	0.16299003	0.33080658	0.17060325	-0.67593884	-0.5950662	-0.98311335	0.021767182	0.45265168	-0.08623747	-0.09265982	-0.2539227	0.70930517	-0.07409987	0.78311235	0.44843006	0.24695852	-0.6026293	0.017363403	0.5232319	-0.35878724	-0.01014969	0.75143063	-0.14704177	0.23776992	0.15625712	-0.3469785	0.052732404	-0.77490413	-0.5073811	0.3380032	0.11012895	-0.40118536	-0.9772331	-0.3470641	-0.7476763	0.32292908	0.2673568	-0.25400943	0.22945565	-0.046322264	-0.57159024	0.23610367	-0.35806698	0.2901713	0.029125929	0.50503373	-0.3610178	0.55603224	0.18619995	0.8075002	0.43859932	-0.7855639	0.9991969	-0.2455423	-0.08488502	0.5547592	-0.8720392	0.43824878	-0.6312673	-0.20244735	-0.38921338	-0.15015393	0.98918575	-0.1087577	-0.7044065	-0.34926268	-0.1596784	0.14846306	0.93424404	0.5877653	-0.88190097	-0.002232298	0.64095336	-0.39143	0.9337691	0.074090056	-0.91087484	0.99990016	-0.99725133	-0.66011846	0.22131515	-0.51637036	-0.7362883	-0.051617347	-0.24254675	-0.16279903	-0.91356975	-0.98861885	-0.82224387	0.47133726	0.07699706	-0.79170054	-0.039010514	0.82909346	0.18653172	0.47526684	-0.43411484	-0.33090883	0.14550395	-0.99978447	0.12390049	-0.75929797	0.2627723	-0.03736599	-0.23310634	-0.20947054	-0.57294565	0.4118876	-0.8097249	-0.19435231	-0.06459481	0.09080976	-0.59040564	0.6432443	-0.054393765	-0.10575781	0.8209799	-0.64926124	0.45356628	-0.41948918	-0.08959869	-0.6278065	0.32835016	0.53617764	0.2004994	0.33169228	-0.36128327	-0.4228805	0.19861048	-0.28759354	-0.8970085	-0.8062156	0.54186195	0.6249984	0.54189277	0.42487124	0.260195	-0.13720107	0.9998219	0.6224345	-0.3272573	0.2156208	-0.2480317	-0.73297477	-0.5104841	-0.9617	0.5021128	0.21486156	0.07825847	-0.60884756	0.31258678	0.7936301	0.28437862	0.12114221	-0.29630733	-0.3330442	0.9971669	-0.5311509	-0.34932095	0.86524695	0.5247309	-0.006190645	0.22546567	-0.6448576	-0.3237691	-0.10342598	0.6858136	-0.49551222	0.5606181	0.21157052	0.22002849	0.3313252	0.55546254	-0.34915686	-0.6359947	0.1323332	-0.93811995	-0.58053344	-0.8927888	0.74657124	-0.46373546	-0.292904	0.532955	0.50894696	-0.5951418	0.092516035	-0.3107079	-0.53957057	-0.80008215	-0.04141066	0.057129044	-0.19344056	-0.031978328	0.47145465	-0.1151935	-0.5971539	0.4921198	0.99999917	-0.3376802	-0.97534686	0.68895864	0.9988684	-0.10893987	0.33906168	-0.9999399	0.7324083	-0.43049	0.12251591	-0.4871187	-0.17055589	0.09565038	-0.7692388	-0.5928299	-0.4803097	-0.43923503	-0.68615866	-0.695464	0.42087835	-0.26726457	-0.9998942	0.9650867	-0.00777068	-0.44833532	0.6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838	2	CC(C)NCC(O)c1cc(O)cc(O)c1	-0.88112617	0.6375803	0.64944845	-0.18351597	0.5091116	0.002805039	-0.3373124	0.4014819	-0.4461017	-0.35983038	-0.81103873	-0.23203494	-0.22515178	-0.5476156	0.6768872	0.66984355	-0.04339976	-0.21609697	0.22032852	0.052897274	-0.6596047	-0.8511547	0.5818977	0.1494061	-0.5679305	0.7168751	-0.29421303	-0.16587655	0.78073317	0.44843632	0.09891866	0.43515837	0.15106265	-0.08796518	-0.35460004	-0.12824488	0.17547412	0.31800553	0.88269204	-0.8242086	-0.8319678	0.061174124	0.56175554	-0.5286383	-0.40781936	-0.9858134	-0.3596088	-0.21922751	-0.7906856	-0.16642906	0.5799272	-0.5767327	-0.083245	-0.25911972	-0.354157	0.5651832	-0.26940614	0.86542034	0.3937846	-0.14833067	-0.12974605	-0.7840286	0.263974	-0.2944225	-0.13417321	-0.59245926	0.306111	-0.1684217	-0.37134764	0.025126172	-0.9386313	-0.9983007	0.10216601	0.22869545	0.35054046	0.12359009	-0.36921796	-0.12860946	-0.6791851	-0.9977506	-0.9872827	-0.17965953	-0.8696033	-0.3073665	0.17543125	0.29042983	-0.119051516	-0.10407274	-0.24911013	-0.13431439	-0.4582663	-0.1778977	0.013537123	-0.024986057	0.9833607	-0.13323899	-0.61442214	0.003538473	0.33314344	0.16021255	0.10799008	-0.07449503	0.31432843	0.32912615	0.17205061	-0.002294956	0.16101372	0.54172206	-1	-0.24514152	0.11564343	-0.23991144	-0.6672052	-0.34967053	0.57824224	0.8127719	-0.5972197	0.58979446	0.9991807	0.6554408	-0.81730354	0.37173298	0.4744549	-0.26408285	-0.7284982	0.3023246	-0.39767638	0.38456634	-0.6688906	0.9841158	0.5534051	-0.7936036	-0.7460802	0.57461244	-0.390912	0.59358025	0.63471353	0.75542796	-0.7223919	0.36207238	-0.99839914	0.7864746	0.9550583	0.6516791	-0.053319287	-0.0662582	-0.057731483	-0.54521066	0.92986816	-0.39099213	0.18932603	-0.20961869	0.5781222	-0.001897423	-0.46426567	-0.7016604	0.015234791	0.9927157	-0.67704225	0.97793627	-0.99145436	0.5087162	-0.027974466	0.02450553	-0.16185363	0.1894026	0.47915664	0.45049995	-0.37568483	-0.2608935	-0.24437317	-0.36747244	0.537639	-0.021060372	-0.026300218	-0.94478273	-0.71494937	0.6401385	-0.5999164	0.18283817	0.40641552	-0.7599049	0.079304345	-0.122179575	0.23739253	-0.32696655	0.42728713	-0.1371706	-0.43256024	-0.003776616	0.8313567	0.7333767	0.5208989	0.16018327	-0.53718853	-0.6570803	0.4106623	0.89216477	0.029500017	-0.532418	-0.23269908	-0.026401723	-0.4123707	-0.58354264	0.17311803	-0.6233137	0.49854207	0.5092696	0.54025126	-0.99662524	-0.38333428	-0.2748689	0.3318065	-0.20317535	0.46136168	-0.20790784	0.13312152	0.51420546	-0.26672617	-0.30050144	-0.027971298	-0.38150114	-0.13073851	-0.09625677	0.9999999	0.14019908	-0.2174734	0.29740658	-0.23408064	-0.2301669	-0.30104306	-0.5334374	0.18633674	0.60210335	0.13525999	-0.38974708	-0.04848519	0.5297211	0.35185423	0.49732074	0.89585495	0.25721428	-0.5163029	-0.7751429	0.055864412	-0.4100368	0.023922509	0.25637472	0.10145114	-0.6980142	-0.8631159	-0.9988425	-0.20063373	0.41222793	0.49464223	-0.45254683	-0.42424777	-0.28384185	0.7895148	0.014313597	-0.44765708	0.044108722	-0.39144975	-0.3967655	-0.16623883	-0.34321463	0.5882947	0.27008727	-0.9995503	0.041324478	-0.6638231	0.9326475	0.48896116	0.067753285	-0.34956324	-0.35940805	-0.000935889	0.7502155	0.55321705	0.006784432	0.25537315	0.9994776	-0.57302153	0.022299333	-0.44472262	-0.34786525	-0.25407487	-0.99193704	-0.99536544	-0.039375804	0.7834137	0.99869937	-0.18440373	0.7645205	-0.041825373	0.012365234	0.99734473	-0.5304433	0.16436829	0.30333245	0.449356	0.1573499	-0.078993864	-0.6554488	-0.29746208	-0.7396869	0.90606207	-0.357636	0.3187276	-0.3800012	0.6614807	0.3825623	0.4916232	-0.4873611	0.38681895	-0.19703023	0.1960805	-0.41066208	1	-0.15374628	-0.35915267	-0.003006263	0.80281407	-0.6754325	-0.55253744	0.30566862	-0.103767574	-0.22948577	0.25315085	0.6184692	0.09553027	-0.09026238	0.13507922	-0.053927034	-0.2842511	-0.88776016	0.45340016	0.07114638	0.19848947	-0.4175929	-0.4207068	0.44079763	0.05588494	0.19763757	0.33976197	0.17603403	-0.48320082	-0.6811228	0.6987739	0.7584233	-0.9857201	-0.55150867	-0.32832715	-0.10202606	0.36360338	-0.42968926	0.53563434	0.9997537	-0.45946723	0.8026944	0.13169202	0.20275517	-0.024398716	0.034812234	-0.48470137	0.21374145	0.33518064	0.3761162	0.4237119	-0.55004656	0.375446	0.5427655	-0.23891206	0.7316146	0.2592539	1	0.26034367	-0.17184077	-0.5483074	-0.27003348	-0.6238276	0.43233877	-0.020430047	-0.1835553	0.31537092	-0.12812036	0.42728892	0.1739715	0.27498084	0.45419723	0.029192127	0.21816851	-0.37529078	0.14568944	-0.13580525	-0.66279113	-0.037914447	0.589065	0.033991937	0.5726006	-0.1477058	-0.010230864	-0.6430769	-0.06051916	-0.09859891	0.4530428	-0.1519652	-0.84862876	0.018027619	0.17424694	-0.10630098	0.3906685	-0.68124217	0.41531488	0.7106003	-0.28143504	-0.9999659	0.35023475	-0.96860164	0.32835436	0.99981654	-0.7101644	0.09456927	0.7153376	0.40018815	0.689596	-0.16726103	-0.05530998	-0.55682033	0.17919496	0.28160757	0.11093924	-0.06333318	0.15261927	-0.5665474	0.3577997	0.08171108	0.80541015	-0.9999696	-0.99837077	-0.97094584	-0.50837016	0.18661453	0.5420401	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839	2	CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	-0.31900734	0.26766026	0.5360836	-0.6010507	0.6671636	-0.6190932	0.08040666	-0.48831877	0.055602413	-0.19108623	-0.5630051	-0.27171838	0.4457289	-0.8453333	0.39865988	0.3099373	0.67725354	-0.6265894	0.079444036	0.46082228	0.1330455	-0.2865837	-0.14648987	0.67174345	0.19184461	0.39744005	-0.2665262	-0.1594221	0.39887574	0.5995639	0.5721954	-0.3642261	0.43630773	0.7782734	0.07833301	0.042135887	-0.008462874	0.43198597	0.99903333	-0.50559705	-0.44436684	0.09599935	0.29458907	0.38553724	0.7697252	-0.42789423	-0.24821307	-0.3490633	0.8204891	0.24479778	0.09190425	0.14402673	0.05581358	-0.06810241	-0.78208697	0.2809125	0.40437758	-0.19059223	0.21714841	-0.2630272	0.48543432	-0.48169944	0.16526957	0.12433802	-0.4597298	0.16234928	0.48843902	0.4926257	-0.06354385	0.45929912	-0.6101324	-0.8636936	0.16289903	0.2509857	0.5770456	-0.45314938	0.21606904	-0.8129202	-0.57384294	-0.99957	0.41802973	-0.5446243	-0.91751707	-0.67117614	-0.26579103	-0.8463355	-0.04859437	0.012319913	-0.08050221	-0.5187502	0.34811303	-0.4045574	0.15540381	-0.39883545	0.9945633	0.3814951	0.5618309	0.19612646	0.013289489	0.50414467	-0.15776704	-0.11429835	0.29035687	0.7258056	-0.9926833	-0.08098329	0.29248586	-0.02811805	0.9526083	-0.6594824	0.5733349	0.003740277	0.7893862	0.5933851	0.5997086	0.5133364	0.34465718	0.18783164	0.9849936	0.32040894	-0.21920878	-0.37361014	0.6142053	-0.6885622	0.31772688	-0.02642968	-0.6973657	0.6474727	-0.19741225	0.9999121	0.24885824	-0.4770177	0.3219361	-0.16124187	-0.6721545	-0.9898602	0.49771893	-0.042202327	-0.43210182	-0.43422455	-0.9999911	0.17059766	0.90184826	0.13165388	0.027807668	0.531951	-0.15036665	0.081480965	-0.91279066	-0.52144444	0.1831678	-0.54908276	0.5062467	0.4938695	-0.67307144	-0.6686684	0.083291374	-0.03934843	-0.24138273	-0.8451353	-0.7836407	0.16708016	-0.23328398	-0.4918822	0.3990387	0.006178121	0.14609827	0.36841318	-0.5625971	-0.01627647	-0.2707566	0.17102809	-0.37736085	-0.00815016	0.23321633	-0.9232946	-0.14161329	0.40262932	-0.52595884	0.6202919	0.15491298	-0.49260494	0.6276912	-0.08193866	0.39394897	-0.25809658	-0.42056957	-0.15018736	-0.21585982	-0.3829775	0.31798312	-0.6359524	-0.58084095	0.42479277	0.20996128	0.603574	-0.51226974	-0.73709404	0.59446	-0.42121375	-0.19348234	-0.26430672	-0.45814347	0.75829196	0.15465133	-0.43409646	-0.24592042	-0.13600735	0.04400824	-0.9998405	0.33030257	0.10643844	0.40142408	0.23357105	0.56865436	0.376603	-0.50009817	0.5932875	0.48468074	0.67171	0.44637072	-0.5568933	-0.76221746	-0.053349536	-0.944325	0.35836598	-0.037625756	0.48623556	-0.43891853	-0.1956891	-0.37916923	0.24395937	0.37137675	0.43419048	-0.41690844	-0.28363302	-0.50015444	-0.45356363	0.5273466	0.2375717	0.9286535	-0.55849427	-0.4989475	0.019408109	0.4289517	0.25945175	-0.50476557	-0.41100323	0.5766622	0.45562202	0.09666346	-0.67075247	0.36810973	0.017551199	-0.011034611	0.14714691	-0.3114126	-0.51682884	0.25214657	-0.75171685	-0.11085247	-0.466662	-0.7134057	-0.83420753	-0.05557488	0.6110311	0.8378097	-0.14379859	0.82916856	-0.08426085	0.039156303	0.9989276	-0.15900679	0.03100015	-0.14086796	-0.34302458	-0.39586446	-0.6515301	-0.13680777	-0.06386145	-0.094590746	0.99682397	-0.038833264	-0.15690823	0.030539202	0.23318861	0.42858177	0.9137877	0.8535799	0.10544482	0.2830541	0.88939387	0.37116253	0.7996935	0.35554892	0.06666213	0.9999981	-0.9894501	0.5898587	-0.6228979	0.027640764	-0.53787816	-0.002428437	0.006444424	-0.48732942	-0.7954225	-0.9623158	-0.4163036	0.31348312	0.20918259	0.76940954	0.26525682	-0.15938897	-0.46116304	0.67594993	0.69062835	0.5247361	0.60813224	-0.99993	-0.30126464	-0.3957843	-0.40676725	-0.13902092	-0.23707019	-0.3936474	0.7508705	-0.102041505	-0.68578285	-0.2900484	0.37414008	-0.2727611	0.547957	0.45076227	0.4605566	0.2897819	0.6380115	-0.6714844	0.5316047	0.5893685	0.63544154	-0.28056502	-0.24669552	0.5098919	0.053213738	0.23334257	-0.40093544	-0.55032665	-0.69471246	0.17179498	-0.69269097	-0.94200593	0.6168281	0.05869378	0.01593685	-0.23849264	-0.5886447	-0.1243087	0.99937135	-0.8294858	-0.44358292	-0.39932522	-0.38547617	-0.92113155	0.20663477	-0.9036439	-0.20164831	-0.48889306	-0.20064501	-0.18762325	0.5668505	0.65240175	0.18476216	0.23106073	-0.07839532	0.03989446	-0.997391	0.2911852	0.22554119	-0.11933658	-0.06581263	-0.15830927	0.19843796	0.10827884	-0.57252556	0.05937247	0.3784465	-0.2861962	0.024741966	-0.23594457	-0.63490766	0.50921917	0.2615728	0.28023183	0.529399	0.39665556	-0.39139277	0.1889228	-0.0730793	0.51332796	-0.64691764	-0.10458121	-0.13988349	-0.33576745	0.6554253	0.25815004	-0.6128035	-0.56701994	-0.29614624	0.05530171	0.30330002	0.085615605	-0.0915086	-0.52199054	0.6089324	-0.09780478	-0.10792003	0.9999994	0.23290108	-0.9624676	0.12416566	0.99978995	-0.7560453	-0.28810713	-0.99992776	0.7023371	-0.654011	-0.006924219	-0.09349673	-0.05345801	-0.033273123	-0.121270865	-0.35180485	-0.8643033	0.4132968	-0.16717629	0.005113592	0.09418773	-0.017606223	-0.9999512	0.99999994	-0.40557724	0.28033894	-0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