c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C(C)(C)C)=O)OCCOC)OCCOC	dan001	1.096910013	1.538160096	0.037668634
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCOC)OCCOC	dan002	0.214670165	0.460117167	0.698216686
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1cccc2c1cccn2)=O)OCCOC)OCCOC	dan003	0.301029996	0.430956704	0.601539842
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1cccc2c1ccnc2)=O)OCCOC)OCCOC	dan004	0.920818754	1.593922754	0.899598699
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccc2c(c1)cccc2)=O)OCCOC)OCCOC	dan005	0.823908741	0.994210369	0.831722107
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1cccc2c1cc[nH]2)=O)OCCOC)OCCOC	dan006	1.494850022	2.013935405	0.396769297
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1cccc2c1CCN2)=O)OCCOC)OCCOC	dan007	0.37675071	0.693868017	0.718066546
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccccc1)=O)OCCOC)OCCOC	dan008	0.73754891	1.473508972	0.221637735
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccc(cc1)C(C)(C)C)=O)OCCOC)OCCOC	dan009	0.197910742	0.472832516	0.808924878
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccc(cc1)C)=O)OCCOC)OCCOC	dan010	0.68613278	1.349850476	0.563956849
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccc(cc1)Br)=O)OCCOC)OCCOC	dan011	0.721246399	0.924351487	0.534718559
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCOC)OCCOC	dan012	0.522878745	1.277260359	0.021787786
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccc2c(c1)cc[nH]2)=O)OCCOC)OC	dan013	0.777283529	0.836062047	0.235581276
c1cc(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccc2c(c1)cc[nH]2)=O)OCCOC	dan014	0.744727495	1.224537781	0.308441713
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccccc1)=O)OCCOC)OC	dan015	0.279840697	0.802002583	0.003202499
c1cc(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)Oc1ccccc1)=O)OCCOC	dan016	0.036212173	0.542169435	0.616393784
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCOC)OC	dan017	0.096910013	0.406083578	0.091029011
c1cc(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCOC	dan018	-0.551449998	0.083575956	0.575608339
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCOC)OC	dan019	0.665546249	0.675244528	0.570519969
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCOC)OCCN1CCOCC1	dan020	0.235077015	0.343770891	0.825538607
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCOC)OCCN1CCOCC1	dan021	-0.426511261	-0.029849982	0.331734231
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCOC)OCCN1CCCCC1	dan022	0.474955193	0.652037467	0.62025286
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCOC)OCCN1CCCCC1	dan023	0.958607315	1.144995011	0.136085463
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCCCC1)OCCOC	dan024	1.045757491	1.95826804	0.679362889
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCN1CCCCC1)OCCOC	dan025	1.045757491	1.973668279	0.260366454
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCCC1)OCCOC	dan026	0.698970004	0.753126969	0.316926479
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCN1CCCC1)OCCOC	dan027	0.756961951	1.132865031	0.870022735
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCOC)OC	dan028	0.096910013	0.670863257	0.247477843
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCOCC1)OC	dan029	0.585026652	1.266772186	0.28780496
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCCCC1)OC	dan030	1.013228266	1.780683858	0.12666834
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCC(CC1)O)OC	dan031	0.638272164	1.567622694	0.810469761
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCC2(CC1)OCCO2)OC	dan032	0.653647026	1.202327279	0.766640298
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCC(CC1)=O)OC	dan033	0.221125528	0.379135689	0.557436582
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCNCC1)OC	dan034	-0.891537458	-0.11110895	0.712570201
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCN(CC1)C)OC	dan035	0.179142011	0.642485388	0.665077381
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCSCC1)OC	dan036	0.515700161	1.2766742	0.007372065
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCCC1)OC	dan037	0.68613278	1.390732702	0.751826775
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCn1ccnc1)OC	dan038	-0.713490543	0.058188101	0.07256412
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCn1cccc1)OC	dan039	-0.396199347	-0.126126033	0.090908857
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCOC)OC	dan040	0.66756154	1.325549387	0.327295703
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCN1CCOCC1)OC	dan041	0.752026734	1.424414179	0.6715124
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCN1CCCCC1)OC	dan042	0.769551079	1.585187471	0.657045897
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCn1nncc1)OC	dan043	0.096910013	0.645492293	0.402967027
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCn1nccn1)OC	dan044	0.283996656	0.428119774	0.83692278
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCn1nncc1)OC	dan045	-0.671172843	-0.340890286	0.968284132
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCn1nccn1)OC	dan046	-0.344392274	0.174284079	0.254361194
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCN1CCS(CC1)(=O)=O)OC	dan047	-0.472756449	0.222881259	0.774315826
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCN1CCS(CC1)(=O)=O)OC	dan048	0.167491087	0.514096053	0.459171446
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCn1nnnc1)OC	dan049	-0.155336037	0.41350276	0.655615391
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCn1nncn1)OC	dan050	0.455931956	1.39764541	0.913420438
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCN1CCCCC1)OC	dan051	1.22184875	1.605210022	0.53545119
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCN1CCOCC1)OC	dan052	0.853871964	1.501734227	0.827684803
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCN1CCCC1)OC	dan053	0.677780705	1.009240807	0.030656029
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCn1nncc1)OC	dan054	-0.772321707	-0.20202361	0.808348264
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCn1nccn1)OC	dan055	-0.220108088	0.560867698	0.989191285
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN1CCCCC1)OC	dan056	1.443697499	1.966266943	0.365049198
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN1CCOCC1)OC	dan057	1.22184875	1.960870823	0.09528388
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN1CCCC1)OC	dan058	1	1.908922783	0.07312588
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCn1nncc1)OC	dan059	0.142667504	0.389820918	0.039517307
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCn1nccn1)OC	dan060	0.397940009	1.360072778	0.517307332
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCN1CCC(CC1)(F)F)OC	dan061	0.782516056	1.262283407	0.661112435
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN1CCC(CC1)(F)F)OC	dan062	1.045757491	1.84820445	0.852239317
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCC[N@@]1CCCC(C1)(F)F)OC	dan063	0.823908741	1.791344957	0.753678153
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCC1CCCCC1)OC	dan064	-1.289142836	-0.545724029	0.553099993
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCCN1CCC(CC1)C)OC	dan065	1.657577319	2.208734054	0.147999796
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN1CCC(CC1)C)OC	dan066	1.292429824	1.322153059	0.977396551
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)C#N)=O)OCCC[N@]1[C@@H](CCCC1)C)OC	dan067	1.537602002	2.106581214	0.918461791
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCC[N@@]1[C@@H](CCCC1)C)OC	dan068	1.455931956	2.023747272	0.58590795
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCC1=NCCN1C)OC	dan069	-0.829303773	-0.345315485	0.99599194
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCC(=N)N)OC	dan070	-0.959041392	-0.330252241	0.685133195
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN(C)C)OC	dan071	0.910094889	1.768658622	0.008314213
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCN)OC	dan072	-1.188084374	-0.33814467	0.396155548
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCO)OC	dan073	-1.145196406	-1.020101971	0.78681089
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCS(=O)(=O)CC)OC	dan074	0.27572413	0.988086292	0.896205806
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCS(=O)(=O)CC(C)C)OC	dan075	0.91721463	1.299734282	0.012319299
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCS(=O)(=O)CCC)OC	dan076	0.576754126	1.285883377	0.777448224
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCS(=O)(=O)CCCC)OC	dan077	0.534617149	1.211912677	0.073082184
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCS(=O)(=O)CCC(C)C)OC	dan078	0.619788758	1.436091552	0.68081102
c1c(c(cc2c1c(ncn2)N1CCN(CC1)C(Nc1ccc(cc1)OC(C)C)=O)OCCCS(=O)(=O)CC(F)(F)F)OC	dan079	-0.089905111	-0.056079929	0.703187425