#Identifier	SMILES	Max_Rank	Max_Probability
32854739	COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)NC(=O)C(C)C)nc(c1)C	4545199	1.00000
32499777	Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)NS(=O)(=O)c2cccc(c2)F)cc(n1)C	4545198	1.00000
31200460	Clc1ccc(c(c1)Nc1nc(NC2CC2)c2c(n1)cccc2)O	4545198	0.99998
32499771	Cc1cc(Nc2ccc(cc2)NS(=O)(=O)c2ccc(cc2)F)nc(n1)Nc1ccc(cc1)C	4545197	1.00000
207304287	Clc1ccc(c(c1)Cl)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Cl)cc(c1O)Cl)/s3)c1c(CC2)cccc1	4545197	0.99998
45947744	C#CCOc1ccc2c(c1/C=c/1\sc3=NC4=C(C(n3c1=O)c1ccc(cc1)F)CCc1c4cccc1)cccc2	4545196	0.99997
32499767	Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)NS(=O)(=O)c2ccc(cc2)C)cc(n1)C	4545195	1.00000
31200404	Oc1ccccc1Nc1nc(NC2CC2)c2c(n1)cccc2	4545194	0.99997
30229496	[O-][N+](=O)c1ncccc1Oc1nc(nc2c1c(cs2)c1ccccc1)c1ccccn1	4545192	0.99996
26786628	Clc1ccc(c(c1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1)O	4545191	0.99996
46509120	COc1cc(ccc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1c4ccccc4cc4c1cccc4)/s3)c1c(CC2)cccc1	4545190	0.99995
32499257	O=C(C(C)C)Nc1ccc(cc1)Nc1cc(C)nc(n1)Nc1ccc(cc1)C	4545189	1.00000
48348996	Brc1ccc(cc1)C1=CC(C2C(=NN=N2)N1)c1cccc2c1cccc2	4545188	0.99995
46402535	COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Br)ccc1O)/s3)c1c(CC2)cccc1	4545187	0.99994
26304809	COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1cc(Br)ccc1O)/s3)c1c(CC2)cccc1	4545186	0.99994
27183313	Cc1ccc(cc1)Nc1cc(C)nc(n1)Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C	4545184	1.00000
26401488	CC(=O)C(=c1ccc2=N[C@]34N(c2c1)C1=C(CCCC1)CC4CCCC3)C(=O)C	4545184	0.99994
2754731	OOC1(Cc2ccccc2)c2ccccc2N(C1=N)C	4545182	0.99994
27183201	Cc1nc(Nc2ccc(cc2)NC(=O)c2cccc(c2)Cl)nc(c1)N1CCCCC1	4545181	1.00000
31196894	CCOc1ccc2c(c1)c(Nc1ccccc1)cc(n2)C	4545179	1.00000
27183181	Cc1nc(Nc2ccc(cc2)NC(=O)c2cccc(c2)C)nc(c1)N1CCCCC1	4545179	1.00000
28315126	O=C(C1c2ccccc2C(=O)N(C1c1cccs1)C1CCCC1)Nc1ccccc1C	4545178	1.00000
27183179	Cc1nc(Nc2ccc(cc2)NC(=O)c2ccccc2C)nc(c1)N1CCCCC1	4545178	1.00000
26247227	N#CC1C(NC#N)N[C@@]([C@@H]([C@H]1c1ccccc1)[n+]1ccccc1)(O)c1cccs1	4545178	0.99993
27208485	O=C(c1ccc2c(c1)n(C)c(=O)/c(=C\c1ccccc1Cl)/s2)NC1CCN(CC1)Cc1ccccc1	4545177	1.00000
27183163	Cc1nc(Nc2ccc(cc2)NC(=O)c2cccc(c2)Br)nc(c1)N1CCCC1	4545177	1.00000
31200456	Cc1ccc(c(c1)Nc1nc(NC2CC2)c2c(n1)cccc2)O	4545177	0.99993
27185189	CCN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=O)c1cccc(c1)N(C)C	4545176	1.00000
27183161	Cc1nc(Nc2ccc(cc2)NC(=O)c2cccc(c2)Cl)nc(c1)N1CCCC1	4545176	1.00000
45561700	Fc1ccc(cc1)C(=O)c1c(C)c(c2n1cccc2)/C=c\1/s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4545176	0.99993
27183159	Fc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)N1CCCC1	4545175	1.00000
27183077	Cc1nc(Nc2ccc(cc2)NC(=O)C(C)(C)C)nc(c1)Nc1ccc(cc1)C	4545172	1.00000
27183063	Cc1nc(Nc2ccc(cc2)NC(=O)C(C)(C)C)nc(c1)Nc1ccccc1	4545170	1.00000
27183059	CCCC(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)Nc1ccccc1	4545169	1.00000
5789857	O=C(C(Cl)(Cl)Cl)Nc1csc(c1c1ccccc1)C(F)(F)F	4545169	0.99989
24842843	CN(CCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O)C	4545152	1.00000
5789903	O=C(C(Cl)Cl)Nc1csc(c1c1ccccc1)C(F)(F)F	4545151	0.99984
22735217	N#Cc1ccc(cc1)C(=O)N(c1nc2c(s1)c(C)cc(c2)C)Cc1cccnc1	4545148	1.00000
31200474	Clc1cc(cc(c1)Cl)Nc1nc(NC2CC2)c2c(n1)cccc2	4545141	0.99982
25923118	Oc1cccc(c1)/C=C/c1ccc2c(n1)c(O)ccc2	4545139	1.00000
26437897	COc1cc(ccc1OC)/C=C\1/Oc2c(C1=O)ccc1c2CN(CO1)C[C@@H]1CCCN2[C@@H]1CCCC2	4545138	0.99981
24348539	CN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=O)c1cccc(c1)N(C)C	4545134	1.00000
30019203	Cc1scc(n1)c1ccc(c(c1)F)Oc1nc2n(c1[N+](=O)[O-])ccs2	4545134	0.99981
22719025	Cc1nc(Nc2ccc(cc2)NS(=O)(=O)c2cccc(c2)Cl)nc(c1)Nc1ccc(cc1)C	4545130	1.00000
4418882	CCCCCCCCn1c2CCCc2c(=N)c2c1cccc2	4545130	0.99980
22719021	Cc1nc(Nc2ccc(cc2)NS(=O)(=O)c2cccc(c2)F)nc(c1)Nc1ccc(cc1)C	4545129	1.00000
1167815	CCCCCCCn1c2CCCc2c(=N)c2c1cccc2	4545129	0.99980
1167813	CCCCCCn1c2CCCc2c(=N)c2c1cccc2	4545128	0.99980
664426	FC(Oc1ccccc1C(=O)C[n+]1cc(n2c1CCCCC2)c1ccccc1)F	4545107	0.99974
31202387	Clc1ccc(c(c1)Nc1nc(NC2CCCCC2)c2c(n1)cccc2)O	4545106	0.99974
32427815	CCn1ncc(c1)c1n(cnc1c1ccccc1)Cc1cn2c(n1)cc(cc2)C	4545105	0.99974
31468250	Cc1ccc(cc1)c1cn2c([n+]1Cc1ccccc1)SCCC2	4545104	0.99974
45563338	N#C/C(=c\1/s/c(=C\c2ccncc2)/c(=O)n1c1ccc(cc1F)F)/C(=O)C(C)(C)C	4545103	0.99974
31202026	Clc1ccc(c(c1)Nc1nc(NC2CCCC2)c2c(n1)cccc2)O	4545098	0.99972
22718295	COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)NC(=O)C(C)(C)C)nc(c1)C	4545093	1.00000
6820707	COc1cc2nc(cc(c2cc1OC)N)N(c1ccccc1)c1ccccc1	4545093	0.99971
4424694	CCCCCn1c2CCCc2c(=N)c2c1cccc2	4545076	0.99964
17447603	N#Cc1cccc(c1)NC(=O)C1c2ccccc2C(=O)N(C1c1cccs1)CC(C)C	4545074	1.00000
17418756	C=CCn1ccc(=Cc2ccc3c([n+]2CC)ccc(c3)C)cc1	4545072	1.00000
4437847	c1ccc(cc1)C[n+]1c(cn2c1SCCC2)c1ccccc1	4545069	0.99963
46099034	c1ccc(cc1)COCc1nnn(c1)[C@@H]1C[C@H]1c1ccccc1	4545066	0.99962
16839463	CN1CCN(CC1)c1nc(Nc2ccc(cc2)F)c2c(n1)n(nc2)c1ccccc1	4545065	1.00000
16165805	CCc1ccccc1NC(=O)C1c2ccccc2C(=O)N(C1c1cccs1)C1CCCC1	4545061	1.00000
16165767	CCc1cccc(c1)NC(=O)C1c2ccccc2C(=O)N(C1c1cccs1)C1CCCC1	4545060	1.00000
16165715	CCc1ccc(cc1)NC(=O)C1c2ccccc2C(=O)N(C1c1cccs1)C1CCCC1	4545059	1.00000
16165703	CCOc1ccc(cc1)NC(=O)C1c2ccccc2C(=O)N(C1c1cccs1)C1CCCC1	4545058	1.00000
17418800	C=CC[n+]1c(ccc2c1ccc(c2)C)C=c1ccn(cc1)CC	4545054	1.00000
15327691	CCOc1ccc(cc1)c1cn2c([n+]1Cc1ccccc1)SCCC2	4545053	0.99958
26400740	NC(=O)C(=c1ccc2=N[C@]34N(c2c1)C1=C(CCCC1)CC4CCCC3)C(=O)N	4545052	0.99958
16078924	CCS(=O)(=O)c1sc(c(n1)S(=O)(=O)c1ccc(cc1)Cl)N1CCC(CC1)C	4545051	1.00000
16078844	CCC(Nc1sc(nc1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)CC)C	4545049	1.00000
16078346	Cc1ccc(cc1C)n1ncc2c1ncn(c2=O)Cc1ccc(cc1)C(F)(F)F	4545047	1.00000
8280197	CSc1nnnc2c1sc1c2c(c2ccc(cc2)Cl)c2c(n1)CCCC2	4545047	0.99957
17018086	OCCN1CCN(CC1)c1nc(Nc2cccc(c2)F)c2c(n1)n(nc2)c1ccccc1	4545043	1.00000
16839487	CCN1CCN(CC1)c1nc(Nc2ccc(cc2)F)c2c(n1)n(nc2)c1ccccc1	4545042	1.00000
16839469	OCCN1CCN(CC1)c1nc(Nc2ccc(cc2)F)c2c(n1)n(nc2)c1ccccc1	4545041	1.00000
15936233	C=CCn1ccc(=Cc2sc3c([n+]2CC)cccc3)cc1	4545041	1.00000
15936179	C=CCn1ccc(=Cc2sc3c([n+]2C)cccc3)cc1	4545040	1.00000
31468252	COc1ccc(cc1)c1cn2c([n+]1Cc1ccccc1)SCCC2	4545039	0.99955
9826227	CCOc1cc(ccc1OCC)c1nonc1NC(=O)c1cccc(c1)C	4545038	1.00000
9826215	CCOc1cc(ccc1OCC)c1nonc1NC(=O)c1ccc(cc1)C	4545037	1.00000
5452666	O=C(c1ccc(cc1)S(=O)(=O)N(C)C)NNc1sc2c(n1)c(C)ccc2	4545031	1.00000
5452650	CCN(S(=O)(=O)c1ccc(cc1)C(=O)NNc1sc2c(n1)c(C)ccc2)CC	4545030	1.00000
4409593	CCN(CCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O)CC	4545028	1.00000
3732136	CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1OC	4545027	1.00000
3731904	COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1ccccc1OC	4545026	1.00000
206999122	COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc1c2CN(CO1)C[C@@H]1CCCN2[C@@H]1CCCC2	4545025	0.99952
16103950	CCCCC(C(c1ccccc1)CN1CCOCC1)(c1ccc(cc1)F)O	4545021	1.00000
16103756	CCCCC(C(c1ccccc1)CN1CCOCC1)(c1ccc(cc1)C)O	4545020	1.00000
31476610	COc1ccc(cc1)C1(O)Cc2[n+](C1C)cccc2.COc1ccc(cc1)C(=O)C([n+]1ccccc1C)C	4545020	0.99951
16078908	CCN(c1sc(nc1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)CC)CC	4545018	1.00000
16078838	CCCCNc1sc(nc1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)CC	4545016	1.00000
24829538	O=C1C(Cc2ccccc2)c2nnnn2C2=C1C1(CCCCC1)Cc1c2cccc1	4545016	0.99948
16078716	CN1CCN(CC1)c1sc(nc1S(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)C	4545013	1.00000
16078344	Cc1cc(ccc1C)n1ncc2c1ncn(c2=O)Cc1cccc(c1)C(F)(F)F	4545011	1.00000
26818661	ICCCC[n+]1ccc(c2c1cccc2)/C=C/c1ccccc1O	4545011	0.99947
16078342	Cc1ccc(cc1)Cn1cnc2c(c1=O)cnn2c1ccc(c(c1)C)C	4545010	1.00000
16078336	Cc1cccc(c1)Cn1cnc2c(c1=O)cnn2c1ccc(c(c1)C)C	4545009	1.00000
16078224	O=c1n(cnc2c1cnn2c1ccccc1)Cc1cccc(c1)C(F)(F)F	4545008	1.00000
8197862	Cc1ccc(cc1)S(=O)(=O)Oc1c(C)ccc2c1N(C)C1C2Cc2c1cccc2	4545004	0.99944
26367454	COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C	4545002	0.99944
11985651	FC(c1ccc(cc1)Cn1cnc2c(c1=O)cnn2c1ccccc1)(F)F	4544999	1.00000
10073930	CCCCC(C(c1ccc(cc1)Cl)CN1CCOCC1)(c1ccc(cc1)F)O	4544998	1.00000
9862535	COc1ccc(cc1)C(=O)Nc1nonc1c1ccc(c(c1)OC)OC	4544997	1.00000
5674703	CCc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)CCc1ccccc1OC	4544990	1.00000
5674701	COc1ccccc1CCN1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C	4544989	1.00000
1866611	CCOc1ccc(cc1)Nc1cc(C)nc2c1cc(OCC)cc2	4544989	1.00000
32030587	[O-][N+](=O)c1cnc(nc1NC1CC1)Nc1cccc(c1)Cn1cccnc1=O	4544989	0.99937
5674691	CCc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)CCc1ccc(cc1)OC	4544988	1.00000
5571735	COc1cccc(c1)c1c(sc2n(n1C(=O)C)cnn2)C(=O)C	4544986	1.00000
5453058	Cc1cc(C)c2c(c1)sc(n2)NNC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	4544982	1.00000
5452950	Fc1ccc2c(c1)sc(n2)NNC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	4544981	1.00000
5452884	Cc1ccc2c(c1)sc(n2)NNC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	4544980	1.00000
4371639	CCCCCCCCCn1ccc(=N)cc1	4544974	1.00000
1342727	CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(c(c1)OC)OC	4544974	1.00000
4370074	CCCCCCCCn1ccc(=N)cc1	4544973	1.00000
1333253	OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)C	4544966	1.00000
46534496	CCOc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C	4544965	0.99927
2635016	CCCCC(C(c1ccccc1)CN1CCOCC1)(c1ccccc1)O	4544963	1.00000
2628719	CCN1CCN(CC1)c1sc(nc1S(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)C	4544962	1.00000
1206548	CN(c1ccc(cc1)c1n(C)c2c([n+]1C)cccc2)C	4544961	1.00000
2425057	O=Cc1c(C)n(c2c1cccc2)CC(=O)Nc1ccc(c(c1)Cl)C	4544951	1.00000
2420124	COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1OC	4544950	1.00000
32424927	c1ccc(cc1)c1ncn(c1c1nc[nH]c1)CC1(CCOCC1)c1ccccc1	4544949	0.99921
2381360	COc1ccc(c(c1)OC)CN1CCN(CC1)Cc1cc(Br)ccc1OC	4544944	1.00000
4422044	CCCCn1c2CCCc2c(=N)c2c1cccc2	4544939	0.99917
2169860	COc1cc(CCNC(=S)Nc2cc(Cl)ccc2Cl)ccc1OC	4544938	1.00000
1865519	CCOc1ccc(cc1)Nc1cc(C)nc2c1cc(OC)cc2	4544930	1.00000
4831087	COc1ccc(cc1)C1C=C(c2ccccc2)n2c3C1CCCc3c1c2cccc1	4544930	0.99913
35186023	CCCc1cc(=O)oc2c1ccc(c2)Oc1nc2n(c1[N+](=O)[O-])cccc2	4544926	0.99910
43203652	O=C(c1nccc(c1)N[C@@H]1C[C@H]1c1ccccc1)NCc1ccco1	4544925	0.99910
3745515	N#CC1=C(S)N[C@@]([C@@H]([C@H]1c1ccccc1F)[n+]1ccccc1)(O)c1ccccc1	4544923	0.99909
1342795	COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(c(c1)OC)OC	4544922	1.00000
45562814	N#C/C(=c\1/s/c(=C\c2ccncc2)/c(=O)n1c1ccc(cc1)Cl)/C(=O)C(C)(C)C	4544912	0.99903
26818397	[O-][N+](=O)c1ccc(o1)/C=C\C=c\1/sc2=NC3(C(Nn2c1=O)(c1ccccc1)N(C(=O)N3C)C)c1ccccc1	4544911	0.99902
1866605	CCOc1ccc2c(c1)c(Nc1cccc(c1)OC)cc(n2)C	4544910	1.00000
1866601	CCOc1ccc2c(c1)c(Nc1ccc(cc1)O)cc(n2)C	4544909	1.00000
31473726	Clc1ccc(cc1Cl)c1c[n+](c2n1CCC2)C(c1ccccc1)c1ccccc1	4544903	0.99898
6723423	N#CC1=C(S)N[C@@]([C@@H]([C@H]1c1cccc(c1)I)[n+]1ccc2c(c1)cccc2)(O)c1ccccc1	4544898	0.99895
32415847	c1ccc(cc1)c1ncn(c1c1[nH]ccn1)Cc1cnc2c(c1)cccc2	4544897	0.99895
1496106	OC(Cn1c2ccccc2c2c1cccc2)CNC1CCCC1	4544895	1.00000
32136902	O=C(c1ccc(nc1)NC1CC1)Nc1scc(n1)c1ccccn1	4544885	0.99888
45562872	N#C/C(=c\1/s/c(=C/c2ccncc2)/c(=O)n1c1ccc(cc1)CC)/C(=O)C(C)(C)C	4544882	0.99886
4833303	COc1cc(ccc1OC)C1CC(=O)c2c(C1)oc(c2C)C(=O)OC(C)C	4544880	0.99884
26369695	COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1	4544879	0.99884
31468245	[O-][N+](=O)c1cccc(c1)c1cn2c([n+]1Cc1ccccc1)SCCC2	4544874	0.99878
2098668	COc1cc(ccc1OC)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC	4544871	0.99877
1280751	COc1ccc(cc1)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC	4544870	0.99877
31196908	CCOc1ccc2c(c1)c(Nc1ccc(c(c1)C)C)cc(n2)C	4544869	1.00000
32416261	Cc1cccnc1CCn1cnc(c1c1cccc2c1non2)c1ccccc1	4544868	0.99876
25871742	CC[n+]1c(/C=C/C=C/2\N(C)c3c(C2(C)C)cccc3)sc2c1cccc2	4544867	0.99876
8235649	Clc1ccc2c(c1)N(c1c(O2)nc2c(n1)cccc2)S(=O)(=O)c1ccccc1	4544862	0.99874
1122061	O=C(Nc1cc(ccc1Cl)C(F)(F)F)Nc1cccc(c1)Cl	4544856	1.00000
45582274	O=c1cc(Cn2/c(=C/C(=O)C(C)(C)C)/s/c(=C\c3cccs3)/c2=O)c2c(o1)cc1c(c2)CCC1	4544854	0.99871
15215623	N#CC(=c1[nH]c2ccccc2nc1[n+]1cccc(c1)CC)C#N	4544853	0.99871
692298	N#Cc1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)OC	4544852	1.00000
9834128	CCOc1cc(ccc1OCC)c1nonc1NC(=O)c1ccccc1	4544850	1.00000
15802777	Clc1ccc2c(c1)N(c1c(O2)nc2c(n1)cccc2)S(=O)(=O)c1ccc(cc1)C	4544847	0.99864
1342401	CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC)C(=O)CC(C2)c1ccc(c(c1)OC)OC	4544846	1.00000
43419894	Fc1ccc(cc1)C1=CC(C)(Nc2n1nnn2)c1ccc(cc1)F	4544844	0.99862
2070660	ClC1(Cl)N(C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]	4544843	0.99862
5674673	CCc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)CCc1ccccc1	4544842	1.00000
32136904	O=C(c1ccc(nc1)NC1CC1)Nc1scc(n1)c1ccc[nH]1	4544840	0.99859
9859571	CCOc1cccc(c1)C(=O)Nc1nonc1c1ccc(c(c1)OC)OC	4544839	1.00000
30491179	COc1cc(ccc1OC)C12CCNC2CC23C(=C1)C1CC(O2)(O)CC2C1(CCN32)c1ccc(c(c1)OC)OC	4544839	0.99858
9860648	COc1ccc(cc1OC)c1nonc1NC(=O)c1ccccc1	4544838	1.00000
32623581	CCN1CCc2c(C1)sc1c2CN(C(=O)NCCC(C)C)C(c2n1ccc2)c1ccc(cc1)C	4544838	0.99858
45599342	N#C/C(=c\1/s/c(=C\c2ccncc2)/c(=O)n1c1cccc(c1)Br)/C(=O)C(C)(C)C	4544837	0.99858
8234355	[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1nc1ccccc1n2	4544832	0.99854
2597581	O=C1NC2=C(C(C1)c1ccc(cc1)F)C(=O)CC(C2)c1ccccc1Cl	4544831	1.00000
1280753	CCOc1ccc(cc1)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC	4544831	0.99853
10073926	CCCC(C(c1ccc(cc1)Cl)CN1CCOCC1)(c1ccc(cc1)F)O	4544830	1.00000
26363482	CCOc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1	4544826	0.99851
6723427	N#CC1=C(S)N[C@@]([C@@H]([C@H]1c1cccc(c1)F)[n+]1ccc2c(c1)cccc2)(O)c1ccccc1	4544817	0.99846
31494786	COc1ccc(cc1OC)c1c[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)C	4544814	0.99845
32381909	c1ccc(cc1)c1ncn(c1CCn1cccn1)Cc1cccc2c1cc[nH]2	4544813	0.99842
26187004	COc1cc(ccc1OC)/C=C/c1sc2c([n+]1CC(=O)N1CCCC1)cccc2	4544812	0.99841
16103754	CCCC(C(c1ccccc1)CN1CCOCC1)(c1ccc(cc1)C)O	4544811	1.00000
26358837	COc1cc(ccc1OCc1ccccc1Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C	4544811	0.99840
44161783	O=C(N1CCC2(CC1)NCc1c(N=C2NC(CC(C)(C)C)(C)C)cccc1)OC(C)(C)C	4544806	0.99839
45928634	Cl/C(=N/c1ccc(cc1)C)/C(/C(=N/c1ccc(cc1)C)/Cl)(Cl)Cl	4544802	0.99837
31242795	O=C(C1(CC1)C(F)(F)F)N1CCCC(C1)Cn1nnc(c1)C(O)(C)C	4544796	0.99835
1943921	CN(CCC1Cc2ccccc2C(=C)c2c1cccc2)C	4544792	0.99831
6772759	CSC1=NC2(CC(N1)(C)C)Oc1cc(O)c(cc1C(C2)c1ccccc1)Cl	4544785	0.99824
32623599	CCN1CCc2c(C1)sc1c2CN(C(=O)NCCC(C)C)C(c2n1ccc2)c1ccccc1	4544780	0.99823
46498503	Clc1ccc(cc1)N1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccccc2)C(=O)C)/C1=O)O	4544777	0.99816
25785396	CN1C(/C=C/c2ccccc2)N(c2c1cccc2)C	4544770	0.99810
31494788	COc1ccc(cc1OC)c1c[n+](c2n1CCCCC2)CC(=O)c1ccccc1	4544763	0.99807
46040778	Clc1noc(c1)CCc1ncnn1C1Cc2c(C1)cccc2	4544757	0.99804
4420030	CCn1c2CCCc2c(=N)c2c1cccc2	4544752	0.99801
17018084	CN1CCN(CC1)c1nc(Nc2cccc(c2)F)c2c(n1)n(nc2)c1ccccc1	4544750	1.00000
17018082	CCN1CCN(CC1)c1nc(Nc2cccc(c2)F)c2c(n1)n(nc2)c1ccccc1	4544749	1.00000
30080964	COc1ccc(cc1)S(=O)(=O)N1c2cc(Cl)ccc2Oc2c1nc1ccccc1n2	4544749	0.99794
26367348	CCOc1cc(ccc1OCc1ccccc1Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C	4544743	0.99793
2903841	COc1ccccc1n1c(N)c(c2c1nc1ccccc1n2)C#N	4544737	1.00000
3745441	N#CC1=C(S)NC(C(C1c1ccccc1Br)[n+]1ccccc1)(O)c1ccccc1	4544734	0.99788
27185225	CCN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=O)c1ccccc1	4544730	1.00000
6723511	N#CC1=C(S)N[C@@]([C@@H]([C@H]1c1ccc(cc1)F)[n+]1ccccc1)(O)c1ccc(cc1)C	4544728	0.99786
16009821	COc1cccc(c1)c1nn(c2c1cc(s2)C(=O)NCCCN1CCCCCC1)C	4544724	1.00000
1299916	OC(Cn1c2ccccc2c2c1cccc2)CNC1CCCCC1	4544723	1.00000
5571751	COc1cccc(c1)c1c(sc2n(n1C(=O)CC)cnn2)C(=O)CC	4544716	1.00000
22735025	N#Cc1ccc(cc1)C(=O)N(c1sc2c(n1)c(C)ccc2)Cc1cccnc1	4544714	0.99000
8235645	Clc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1nc1ccccc1n2	4544712	0.99778
16014105	CCN1CCN(CC1)CCCNC(=O)c1cc2c(s1)n(nc2c1ccc(cc1)Cl)C	4544707	1.00000
26234607	[O-][N+](=O)c1ccc(o1)/C=C/Sc1n[nH]c(=O)n1Cc1ccccc1	4544707	0.99774
6837912	CN1CCN(CC1)CCCNC(=O)c1cc2c(s1)n(nc2c1ccc(cc1)Cl)C	4544706	1.00000
22056864	O=C(C1=CN2c3ccccc3SC(C2C2N1c1ccccc1S2)(O)c1ccccc1)c1ccccc1	4544696	0.99768
46468145	COc1c(ccc(c1OC)OC)C1N=C(N)NC2=Nc3c(C12)cccc3	4544695	0.99767
43305594	FC(c1cccc(c1)Nc1nc(Nc2ccccc2)c2c(n1)cccc2)(F)F	4544690	0.99761
27185193	CCN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=O)c1ccc(cc1)C	4544684	1.00000
2435417	Clc1ccc(cc1)C(NCCC(c1ccco1)Cc1ccccc1)C	4544684	0.99756
46558546	C=CCc1c(C)nc([nH]/c/1=N\c1ccccc1O)c1ccccc1	4544679	0.99754
46467136	OC(COc1cccc2c1nccc2)CON=C1c2ccccc2c2c1cccc2	4544677	0.99751
32623589	CCN1CCc2c(C1)sc1c2CN(C(=O)Nc2cc(C)ccc2C)C(c2n1ccc2)c1ccccc1	4544675	0.99750
3149907	O=C(c1ccc(cc1)S(=O)(=O)N(C)C)NNc1nc2c(s1)cccc2	4544674	1.00000
15936231	C=CC[n+]1c(C=c2ccn(cc2)C)sc2c1cccc2	4544671	0.99625
9417026	CCCN1C(=O)c2c(C1c1cccc(c1)OC)c(n[nH]2)c1c(C)cc(cc1O)C	4544665	0.99000
4393231	CCOc1ccc(cc1)Nc1cc(C)nc(n1)n1nc(cc1C)C	4544657	0.99000
3739619	O=C1NC2=C(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)c1ccccc1Cl	4544654	0.99000
2642211	CCCN1C(=O)c2c(C1c1ccc(cc1)OC)c(n[nH]2)c1c(C)cc(cc1O)C	4544652	0.99000
2597597	COC(=O)c1ccc(cc1)C1CC(=O)NC2=C1C(=O)CC(C2)c1ccccc1Cl	4544651	0.99000
32797977	O=C(Nc1cc(F)cc(c1)F)Nc1ccc(cc1)Nc1cc(NC2CCCCC2)nc(n1)C	4544647	0.99733
46630629	COc1cccc2c1OCC(C2)Cc1cc(NC2CC2)nc(n1)N	4544646	0.99733
1463132	N#Cc1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)O	4544645	1.00000
16009823	COc1cccc(c1)c1nn(c2c1cc(s2)C(=O)NCCCN1CCC(CC1)C)C	4544639	1.00000
1998986	OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNC1CCCC1	4544632	0.99000
35100472	Clc1ccc2c(c1)CC(O2)C(=O)Nc1scc(n1)c1ccccn1	4544627	0.99719
43203018	Fc1cccc(c1c1nccn1Cc1cnc2n1cccc2)Cl	4544621	0.99714
26131435	Oc1cccc2c1nc(/C=C/c1ccccc1)cc2	4544608	1.00000
32623575	CCN1CCc2c(C1)sc1c2CN(C(=O)Nc2cccc(c2)C)C(c2n1ccc2)c1ccc(cc1)C	4544607	0.99706
35780441	C=C[C@H]1C[N+]2(C)CCC1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	4544602	0.99701
1239350	OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNC1CCCCC1	4544602	0.99000
31468248	Brc1ccc(cc1)c1cn2c([n+]1Cc1ccccc1)SCCC2	4544601	0.99701
46054356	CSC(Cc1nnn(c1)CC1(CCOCC1)c1ccccc1)C	4544592	0.99694
3225191	Fc1ccc(cc1)C1(CCCC1)C(=O)Nc1cc(nn1c1nc2c(n1Cc1ccccc1)cccc2)C	4544591	0.99694
692168	N#Cc1c2nc3ccccc3nc2n(c1N)c1ccccc1	4544576	1.00000
24313384	CCOC1=NC2C(C1c1ccc(cc1)[N+](=O)[O-])N(CC)c1c(N2)cccc1	4544564	0.99675
4370330	c1ccc(cc1)C1C=C(c2ccccc2)n2c3C1CCCc3c1c2cccc1	4544554	0.99663
32797971	O=C(Nc1ccc(c(c1)F)C)Nc1ccc(cc1)Nc1cc(NC2CCCCC2)nc(n1)C	4544553	0.99661
43305596	Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)C(F)(F)F)nc2c1cccc2	4544550	0.99659
27067635	Cc1ccc(cc1)/C=C/c1ccc2c(n1)c(O)ccc2	4544548	1.00000
659346	O=C(Nc1cc(ccc1Cl)C(F)(F)F)Nc1ccc(c(c1)Cl)Cl	4544547	1.00000
2047336	CC1=C(C)CC2C(C1)C(I)C(C2)[n+]1ccccc1	4544546	0.99654
4837919	COc1ccc(cc1)C1CC(=O)c2c(C1)oc(c2C)C(=O)OC(C)C	4544544	0.99653
48202360	N#C/C(=c/1\s/c(=C\c2ccccn2)/c(=O)n1c1ccccc1F)/C(=O)C(C)(C)C	4544541	0.99651
44216775	COc1cc(ccc1OC(C)C)c1c2oc3c(c2nc2c1c(=O)[nH]n2C1CCCCCCC1)ccc(c3)O	4544532	0.99638
44215452	COc1cc(ccc1OC(C)C)c1c2oc3c(c2nc2c1c(=O)[nH]n2C1CCCCCC1)ccc(c3)O	4544531	0.99638
44205529	COc1cc(ccc1OC(C)C)c1c2oc3c(c2nc2c1c(=O)[nH]n2C1CCCCC1)ccc(c3)O	4544530	0.99638
44523085	O=C(C(OC(=O)C1=C(Cl)CCCC1)C)Nc1cccc2c1cccn2	4544520	0.99632
44215720	Oc1ccc2c(c1)oc1c2nc2c(c1c1ccc(cc1)C(C)C)c(=O)[nH]n2C1CCCCCC1	4544517	0.99631
44215512	Oc1ccc2c(c1)oc1c2nc2c(c1c1ccc(cc1)C(C)C)c(=O)[nH]n2C1CCCCCCC1	4544516	0.99631
31296739	Clc1ccc(c(c1)Cl)C(=O)C[n+]1ccc(cc1)/C=C/c1ccccc1	4544515	0.99631
31348458	CCc1cc(=O)oc2c1ccc(c2)Oc1nc2n(c1[N+](=O)[O-])cccc2	4544513	0.99630
1551609	COC(=O)c1oc2c(c1C)C(=O)CC(C2)c1ccc(c(c1)OC)OC	4544512	0.99629
2239564	CC(c1ccccc1)NCCC(c1ccco1)Cc1ccccc1	4544509	0.99629
32623325	CN1CCc2c(C1)sc1c2CN(C(=O)NC2CCCCC2)C(c2n1ccc2)c1cccc(c1)Cl	4544504	0.99625
2912650	CC[n+]1c(C=c2cc(C)n(c(c2)C)CCN2CCNCC2)sc2c1cccc2	4544502	0.99623
32623593	CCN1CCc2c(C1)sc1c2CN(C(=O)Nc2ccccc2C)C(c2n1ccc2)c1ccccc1	4544488	0.99609
22735201	N#Cc1ccc(cc1)C(=O)N(c1sc2c(n1)c(C)cc(c2)C)Cc1cccnc1	4544487	0.99000
46030890	Fc1cc(F)cc(c1)C1(CC1)Nc1nc(N)nc(c1C)C	4544480	0.99605
2167696	Fc1ccc(cc1)Nc1nc(NCc2ccco2)c2c(n1)cccc2	4544463	0.99000
4370096	N#Cc1c2nc3ccccc3nc2n(c1N)c1ccccc1O	4544462	1.00000
24131531	Clc1ccc(cc1)c1csc(n1)c1c2NC(Cn2c2c(c1=O)cccc2)(O)C(C)(C)C	4544461	0.99595
45563336	N#C/C(=c\1/s/c(=C\c2ccccn2)/c(=O)n1c1ccc(cc1F)F)/C(=O)C(C)(C)C	4544455	0.99589
2362254	COC1=NC2C(C1c1ccccc1)N(CC)c1c(N2)cccc1	4544442	0.99576
29421008	N#CC1=C(S)NC(C(C1c1ccc(cc1)F)[n+]1ccc2c(c1)cccc2)(O)c1ccccc1	4544441	0.99575
27185265	CCN(c1cc(C)c2c(n1)ccc(c2)NC(=O)c1ccccc1)CC	4544439	1.00000
2743578	ClCC(=O)Nc1ccc(c(c1)Cl)Oc1cccc2c1nccc2	4544437	0.99575
26397704	COc1cc(ccc1OC)/C=C\1/Oc2c(C1=O)cc1c(c2C)OCN(C1)CCCN1CCOCC1	4544436	0.99575
27185241	CCN(c1cc(C)c2c(n1)ccc(c2)NC(=O)c1ccc(cc1)N(C)C)CC	4544433	1.00000
45604812	N#C/C(=c\1/scc([nH]1)c1ccc(cc1O)O)/C=C\1/C=CC=N1	4544427	0.99569
4375851	COc1ccc(cc1)c1c[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl	4544421	0.99566
32797967	O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)Nc1cc(NC2CCCCC2)nc(n1)C	4544415	0.99562
24313386	CCOC1=NC2C(C1c1ccc(cc1)[N+](=O)[O-])N(C)c1c(N2)ccc(c1)Cl	4544413	0.99560
44433212	CC(c1ccc(o1)C)Cc1cn(nn1)CCCCO	4544403	0.99550
1333257	CCCCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O	4544403	0.99000
650195	O=C(C1C(C1(C)C)C=C(Cl)Cl)NC(C(Cl)(Cl)Cl)Nc1cc(ccc1Cl)C(F)(F)F	4544395	0.99545
8235655	Cc1ccc2c(c1)Oc1c(N2S(=O)(=O)c2ccc(cc2)Cl)nc2c(n1)cccc2	4544393	0.99543
2743043	O=C(c1cc2ccccc2cc1O)NN=c1c2ccccc2[nH]c2c1cccc2	4544390	0.99534
32384133	Nc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2c(n1)ccc(c2)C(=O)O	4544373	0.99517
45561810	COc1cc(cc(c1OC(C)C)Cl)/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4544371	0.99513
4681389	COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)CC)Cc1ccccc1	4544365	0.99505
48569565	CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1c1cc(OC)c(cc1C2)OC	4544361	0.99498
691912	N#Cc1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)Cl	4544358	1.00000
26385498	O=C(CN1C(=O)CCC1=O)N/C(=C\1/C(=O)c2ccccc2S(=O)(=O)N1C)/C	4544344	0.99484
25923378	Oc1cccc2c1nc(/C=C/c1cccc3c1cccc3)cc2	4544334	1.00000
2504289	CN(c1ccc(cc1)Nc1nc(NCc2ccco2)c2c(n1)cccc2)C	4544333	1.00000
1253672	CN1c2cc(ccc2N(C1(C)c1ccccc1)C)[N+](=O)[O-]	4544311	0.99446
32797969	O=C(Nc1cccc(c1)C)Nc1ccc(cc1)Nc1cc(NC2CCCCC2)nc(n1)C	4544309	0.99445
45561762	COc1cc(cc(c1O)Cl)/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4544307	0.99443
36905059	Clc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)N1C(=NC(=NC1(C)C)N)N	4544303	0.99435
4377110	[O-][N+](=O)c1cc(Br)c2=[N+](C3([N+](=c2c1)[O-])CCCCC3)[O-]	4544302	0.99434
2896348	COc1ccc(cc1)c1c[n+](c2n1CCCCC2)CC(=O)c1ccccc1	4544291	0.99427
45561786	C#CCOc1c(Cl)cc(cc1OC)/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4544287	0.99423
27183331	CCS(=O)(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)N(C)C	4544282	0.99000
22719151	CCCS(=O)(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)N(C)C	4544281	0.99000
22718197	Cc1nc(Nc2ccc(cc2)NC(=O)c2ccc(o2)Br)nc(c1)Nc1ccccc1	4544276	0.99415
2907207	N#CC(=c1[nH]c2ccccc2nc1[n+]1cccc(c1)C)C#N	4544274	0.99412
16127232	Cc1ccc(c(c1)n1cc2c(c1c1ccccc1)c(=O)n(n2C)c1ccccc1)O	4544268	0.99406
16162165	CCN(CCNC(=O)c1ccc2c(c1)sc1n2cc(n1)c1ccc(cc1)F)CC	4544255	0.98000
4586969	Clc1ccc(cc1)CN1COc2c(C1)cc(cc2)C(C)(C)C	4544234	0.99000
4401311	Brc1ccc(cc1)/C=C/c1cccc[n+]1C	4544232	0.98000
2642213	C=CCN1C(=O)c2c(C1c1ccc(cc1)OC)c(n[nH]2)c1c(C)cc(cc1O)C	4544231	0.98000
2365560	c1ccc(cc1)Cn1c(/C=N/Nc2nc3c([nH]2)cccc3)nc2c1cccc2	4544230	0.99361
2598607	Cc1cc(Nc2ccc(c(c2)C)C)n2c(n1)nc(n2)C	4544230	0.98000
2076015	Oc1ccc(cc1)/C=C/c1cc[n+](cc1)C	4544218	0.98000
35771602	FC(c1nc(Oc2cccnc2[N+](=O)[O-])c2c(n1)cccc2)F	4544217	0.99336
4396214	CCSP1(=O)C=C(c2ccccc2)N(N=C1c1ccccc1)c1ccccc1	4544207	0.99326
32417795	COc1cc2CCCc2cc1Cn1cnc(c1c1cncnc1)c1ccccc1	4544206	0.99325
31481036	CC(=O)Oc1ccccc1C(=O)/C(=C/C=c\1/sc2c(n1C)cccc2)/C=C/c1sc2c([n+]1C)cccc2	4544202	0.99322
629008	CCCCc1cccc[n+]1CC(=O)c1ccc(cc1C)C	4544196	0.99312
4583061	CCCCn1c(=N)n(c2c1cccc2)CC(COc1ccccc1C)O	4544195	0.99000
13321815	CCOC1=NC2C(C1c1ccccc1)N(CC)c1c(N2)cccc1	4544174	0.99299
4399067	N#CC(=c1ccc2=NC(Nc2c1)(C)C)C#N	4544170	0.99297
1033334	Clc1ccc2c(c1)nccc2Nc1ccccc1	4544165	1.00000
7337084	Clc1ccc(cc1)Nc1ccnc2c1ccc(c2)Cl	4544163	1.00000
4683494	COc1ccc(cc1)Cn1c(CC)nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC	4544163	0.99293
8234743	Clc1cccc(c1)Nc1ccnc2c1ccc(c2)Cl	4544161	1.00000
31476000	Clc1ccc(c(c1)Cl)C(=O)C[n+]1c(C)n(c2c1cccc2)C(F)F	4544161	0.99287
3230260	CC[n+]1c2ccccc2cc2c1cccc2	4544159	1.00000
45979133	COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)cc1c(c2C)OCN(C1)C1CC1	4544155	0.99282
26437385	COc1cc(ccc1OC)/C=C\1/Oc2c(C1=O)cc1c(c2C)OCN(C1)C1CC1	4544154	0.99282
45561768	CCOc1cc(cc(c1O)Cl)/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4544151	0.99282
45561764	COc1c(Cl)cc(cc1OC)/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4544144	0.99277
2907205	N#CC(=c1[nH]c2ccccc2nc1[n+]1ccc(cc1)C)C#N	4544139	0.99275
2642197	CCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(n[nH]2)c1c(C)cc(cc1O)C	4544132	0.98000
32499289	Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)NC(=O)c2ccc(o2)Br)cc(n1)C	4544128	0.99263
22718273	Cc1nc(Nc2ccc(cc2)NC(=O)c2ccc(o2)Br)nc(c1)Nc1ccc(cc1)C	4544127	0.99263
2905376	N#CC(=c1[nH]c2ccccc2nc1[n+]1ccccc1)C#N	4544122	0.99256
2976078	COc1ccc2c(c1)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1cccnc1	4544100	0.99234
8229647	N=C(C(c1ccccc1)Cc1ccccc1)NCc1ccccc1	4544099	0.99234
16127214	Oc1ccccc1n1cc2c(c1c1ccccc1)c(=O)n(n2C)c1ccccc1	4544096	0.99233
32797955	O=C(Nc1ccccc1)Nc1ccc(cc1)Nc1cc(NC2CCCCC2)nc(n1)C	4544094	0.99232
1161518	ClC(C(Nc1ccccc1)Nc1ccccc1)(Cl)Cl	4544093	0.99232
5571455	Brc1ccc(cc1)c1c(sc2n(n1C(=O)C)cnn2)C(=O)C	4544092	0.99000
2642227	C=CCN1C(=O)c2c(C1c1cccc(c1)OCC)c(n[nH]2)c1c(C)cc(cc1O)C	4544081	0.99000
2642201	C=CCN1C(=O)c2c(C1c1cccc(c1)OC)c(n[nH]2)c1c(C)cc(cc1O)C	4544079	0.99000
2579279	CC(c1ccc2c(c1)CN(CO2)Cc1ccccc1)(C)C	4544077	0.99000
2194278	COc1cc(CCNC(=S)Nc2ccccc2Cl)ccc1OC	4544066	0.99000
1551611	COCCOC(=O)c1oc2c(c1C)C(=O)CC(C2)c1ccc(cc1OC)OC	4544062	0.99208
2048107	CCN(C(=O)CSP(=O)(c1ccccc1)c1ccccc1)CC	4544054	0.99206
4691754	CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccc(cc1)OC	4544050	0.99199
5674697	CCc1cc(=O)oc2c1cc1CN(COc1c2C)CCc1ccccc1OC	4544042	0.98000
4407942	CCCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O	4544041	0.99000
1333271	OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCCCC1	4544033	0.99000
648639	COc1ccc(cc1)C(=O)C[n+]1cc(n2c1CCCCC2)c1ccc(cc1)OC	4544031	0.99183
4729497	N#CC1=C(N)N2CCc3c(C2=CC1c1ccccc1Br)cc(c(c3)OC)OC	4544030	0.99183
1237090	Cc1c[n+](cc(c1)C)C(C(=O)c1ccc(cc1)c1ccccc1)C	4544026	0.99000
1237086	Cc1ccc[n+](c1)C(C(=O)c1ccc(cc1)c1ccccc1)C	4544025	0.99000
644387	CCCOc1cc(O)c(cc1CC)c1n[nH]c(c1Oc1ccccc1)C	4544020	0.99000
43392475	Cc1oc(c(c1)C(CNC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CC1)(O)C)C	4544011	0.99166
2917936	CCCCn1c(C)cc(=Cc2sc3c([n+]2CC)cccc3)cc1C	4544009	0.99165
4372189	N#CC(=c1ccc2=NC3(Nc2c1)CCCCC3)C#N	4543999	0.99152
2303363	OC(Cn1c(C)c(c2c1cccc2)C)CNCc1ccccc1	4543998	0.98000
45569355	O/C(=C(\C(=O)c1ccccc1)/N/N=C/1\C=C/C(=C/2\N=c3c(=N2)cccc3)/C=C1)/Nc1cccnc1	4543997	0.99147
22734951	N#Cc1ccc(cc1)C(=O)N(c1nc2c(s1)cc(cc2)F)Cc1cccnc1	4543994	0.98000
4984182	N#Cc1ccc(cc1)C(=O)N(c1sc2c(n1)cc(c(c2)C)C)Cc1cccnc1	4543987	0.98000
5674699	CCCc1cc(=O)oc2c1cc1CN(COc1c2C)CCc1ccccc1OC	4543981	0.98000
8196058	Cc1ccc(cc1)CN1COc2c(C1)cc(cc2)C(C)(C)C	4543980	0.99000
15215179	N#CC(=c1[nH]c2ccccc2nc1[n+]1cc(C)cc(c1)C)C#N	4543977	0.99122
45684370	O=C(n1cc/c(=N/CC(F)(F)F)/cc1)CC1CCOc2c1cccc2	4543976	0.99122
45561702	O=C(C(C)(C)C)/C=c/1\s/c(=C\c2c(C)nc3n2ccs3)/c(=O)[nH]1	4543975	0.99118
30138548	Cc1cc(C)c2c(c1)nc(s2)N(C(=O)c1ccc(cc1)Oc1ccccc1)Cc1cccnc1	4543973	0.98000
207125397	C=CCN/C(=N/N=C/c1ccc(cc1)n1nc(cc1c1ccccc1)c1ccccc1)/S	4543972	0.99116
16161487	CN(CCNC(=O)c1ccc2c(c1)sc1n2cc(n1)c1ccc(cc1)C)C	4543972	0.99000
2315927	CCCCn1c(=N)n(c2c1cccc2)CC(COc1cccc(c1)C)O	4543970	0.99000
1551607	COC(=O)c1oc2c(c1C)C(=O)CC(C2)c1ccccc1OC	4543967	0.99108
1279831	OC(Cn1c2ccc(cc2c2c1ccc(c2)I)I)CNC1CCCCC1	4543967	0.98000
24372095	COc1cccc(c1)c1nn(c2c1cc(s2)C(=O)NCCCN1CCCC1)C	4543960	0.99000
26385750	CCN1/C(=C(\NC(=O)C(C)(C)C)/C)/C(=O)c2c(S1(=O)=O)cccc2	4543957	0.99098
8823677	OC(Cn1c2ccc(cc2c2c1ccc(c2)I)I)CNC1CCCC1	4543954	0.98000
42893912	[O-][N+](=O)c1ncccc1Oc1nc(nc2c1CCC2)c1ccccn1	4543952	0.99096
44567230	Cc1ccc(c2c1N(CCC2)CC1=Nc2ccccc2S(=O)(=O)N1)F	4543944	0.99086
31237868	CCCN1CCC(CC1)N1CCC(CC1)Cn1nnc(c1)CC(O)C	4543943	0.99084
24981404	O=C(Nc1scc(n1)c1ccccn1)CCc1oc(c(c1)C(=O)C)C	4543934	0.99072
45561782	CCOc1cc(cc(c1OC)Cl)/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O	4543932	0.99068
5571631	COc1ccc(cc1OC)c1c(sc2n(n1C(=O)C)cnn2)C(=O)C	4543929	0.99000
4568034	CCn1c2ccccc2n(c1=N)CC(COc1cccc(c1)C)O	4543883	0.99000
4555254	CCCn1c(=N)n(c2c1cccc2)CC(COc1cccc(c1)C)O	4543882	0.99000
2316043	Cc1cccc(c1)OCC(Cn1c2ccccc2n(c1=N)C)O	4543881	0.99000
11910332	O=c1cc(CSC2=NC3C(N2)CCCC3)c2c(o1)cc1c(c2)CCC1	4543879	0.98976
48271792	Cc1cccc2c1ncnc2Sc1nn2c(n1)nccc2	4543877	0.98975
2361403	CCOC1=NC2C(C1c1ccc(cc1)[N+](=O)[O-])N(C)c1c(N2)cccc1	4543872	0.98974
4675545	CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1	4543863	0.98967
5571489	COc1ccc(cc1)c1c(sc2n(n1C(=O)CC)cnn2)C(=O)CC	4543861	0.99000
31210919	Cc1nc(Nc2ccc(cc2)NS(=O)(=O)c2c(C)noc2C)nc(c1)N(C)C	4543860	0.98000
46496374	COc1cc(ccc1O)C1C/C(=C/2\C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/NN1C(=O)C	4543857	0.98963
4560585	CCCn1c(=N)n(c2c1cccc2)CC(COc1ccccc1C)O	4543853	0.99000
18860832	Cc1ccc(cc1)Nc1nc(C)cc(n1)Cl	4543852	0.98000
31480192	Cn1/c(=C/C=C/c2n(C)c3c([n+]2C)cccc3)/ccc2c1cccc2	4543851	0.98000
31274343	Fc1ccc(cc1)Nc1nc(C)cc(n1)Cl	4543850	0.98000
30250227	O=C(c1csc(n1)c1ccco1)Nc1cccc(c1)Cn1cncc1	4543848	0.98957
16161723	COc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)C(=O)NCCN1CCCC1	4543835	0.99000
16078376	Clc1cccc(c1)Cn1cnc2c(c1=O)cnn2C(C)(C)C	4543834	0.97000
11070244	O=C(c1ccc2c(c1)sc1n2cc(n1)c1ccccc1)NCCCN1CCCCC1	4543832	0.99000
36447734	NCC1Cc2c(O1)c(cc(c2)F)c1ccnc2c1cccc2C(F)(F)F	4543830	0.98927
46498901	CCOc1ccc(cc1)C1C/C(=C/2\C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/NN1C(=O)C	4543828	0.98922
206998783	COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)cc1c(c2C)OCN(C1)CCCN1CCOCC1	4543824	0.98917
5462592	Cc1ccc(cc1)S(=O)(=O)NCC(c1cccnc1)N1CCN(CC1)c1ccccc1F	4543824	0.98000
5462584	Fc1ccc(cc1)S(=O)(=O)NCC(c1cccnc1)N1CCN(CC1)c1ccccc1F	4543823	0.98000
22057020	Clc1ccc(cc1)C1N(OC2(C1CCCC2)N1CCCC1)c1ccccc1	4543821	0.98909
4671434	CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1	4543820	0.98908
6751991	OC1(NCCc2c1cccc2)C[n+]1ccccc1	4543818	0.98902
2597439	O=C1NC2=C(C(C1)c1ccc(cc1Cl)Cl)C(=O)CC(C2)c1ccc(cc1)F	4543811	0.98000
4835611	COc1ccc(cc1)C1CC(=O)c2c(C1)oc(c2C)C(=O)OC	4543809	0.98893
16162055	O=C(c1ccc2c(c1)sc1n2cc(n1)c1ccccc1)NCCCN1CCCCCC1	4543807	0.99000
2395186	Cc1ccc2c(c1)oc(n2)c1ccc(c(c1)NC(=O)C(Cl)(Cl)Cl)C	4543807	0.98000
25923430	Oc1ccc(cc1)/C=C/c1ccc2c(n1)c(O)ccc2	4543806	0.99000
8870564	FC(Oc1cccc(c1)C12C=C(C(=O)N2c2c(N1)cccc2)O)F	4543803	0.98890
2061142	Clc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cc2ccccc2cc1O	4543803	0.97000
17418796	C=CCn1ccc(=Cc2cc(C)c3c([n+]2CC)cccc3)cc1	4543781	0.98865
5816755	ClC(C(=O)Nc1cc(ccc1Oc1cc(C)c(c(c1)C)Cl)C(F)(F)F)Cl	4543780	0.98865
24365789	S=C(Nc1ccc2c(c1)c(C)cc(n2)N1CCCC1)NCCCN1CCc2c(C1)cccc2	4543779	0.97000
5460924	CC(n1ncc2c1ncn(c2=O)Cc1ccccc1)(C)C	4543773	0.99000
8604284	COc1ccc(cc1)N1CC2=C(NC1=S)c1ccccc1CC12CCCCC1	4543763	0.98842
5462594	Clc1ccc(cc1)S(=O)(=O)NCC(c1cccnc1)N1CCN(CC1)c1ccccc1F	4543763	0.97000
1105622	O=C(Nc1cccc(c1)Cl)Nc1cccc(c1)C(F)(F)F	4543761	0.99000
31316092	O=C(Nc1scc(n1)c1ccccn1)Cc1cn2c(n1)scc2	4543758	0.98830
2393929	Cc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=O)C(Cl)(Cl)Cl)C	4543754	0.97000
16078372	Cc1ccc(cc1)Cn1cnc2c(c1=O)cnn2C(C)(C)C	4543750	0.99000
4638834	CSc1nc(SCc2ccc(cc2)[N+](=O)[O-])c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)CC(C)C	4543735	0.98800
43108992	OCCN1CCCC(C1)Cn1ccnc1c1ccc(c2c1cccn2)C	4543733	0.98799
16014095	Clc1ccc(cc1)c1nn(c2c1cc(s2)C(=O)NCCCN1CCCCCC1)C	4543730	0.99000
44489590	COc1ccc(cc1)c1c/c(=N/N2CCN(CC2)C)/c2c(o1)cccc2	4543728	0.98790
2597579	O=C1NC2=C(C(C1)c1cccc(c1)Cl)C(=O)CC(C2)c1ccccc1Cl	4543724	0.99000
44757904	COc1cc(ccc1OCC(=C)C)c1c2oc3c(c2nc2c1c(=O)[nH]n2C1CCCCC1)ccc(c3)O	4543720	0.98773
1163768	Nc1ccc2c(c1)nc([nH]2)c1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)ccc(c2)N	4543715	0.97000
15179862	O=c1n(CCc2c[nH]cn2)ccc2c1cnc1n2nc(n1)C(F)(F)F	4543711	0.98763
33367836	Cc1cc(F)c2c(c1)CCCN2CC1=Nc2ccccc2S(=O)(=O)N1	4543708	0.98762
32797961	O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)Nc1cc(NC2CCCCC2)nc(n1)C	4543707	0.98760
16127240	Clc1ccc(cc1)c1n(cc2c1c(=O)n(n2C)c1ccccc1)c1ccccc1O	4543706	0.98758
45553832	Cc1cccc(c1)/C=C/c1ccc2c(n1)c(O)ccc2	4543702	0.99000
44392797	Cc1cccc(c1)Cn1cnc2c(c1=O)cnn2C(C)(C)C	4543698	0.99000
2742562	CC[n+]1ccccc1/C=C/N(c1ccccc1)C(=O)C	4543680	0.98721
5844018	Cc1cc(Oc2ccc(cc2NC(=O)C(Cl)(Cl)Cl)C(F)(F)F)cc(c1Cl)C	4543677	0.98715
2597607	O=C1NC2=C(C(C1)c1ccc(cc1)C)C(=O)CC(C2)c1ccccc1Cl	4543669	0.98000
2408939	Brc1ccc(cc1)Nc1nc(NCc2ccco2)c2c(n1)cccc2	4543668	0.98000
26385730	CCN1/C(=C(\NC(=O)C)/C)/C(=O)c2c(S1(=O)=O)cccc2	4543659	0.98680
26385138	O=C(N/C(=C\1/C(=O)c2ccccc2S(=O)(=O)N1C)/C)Cc1ccccc1	4543658	0.98678
4640322	CSc1nc(SCc2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)CC(C)C	4543654	0.98670
24839542	COC1=NC2C(C1c1ccccc1)N(C)c1c(N2)cccc1	4543649	0.98665
28308607	CCCOc1ccc2c(c1)C(=NNC(=N)N)c1c2ccc(c1)OCCC	4543640	0.98649
26393390	Clc1ccc2c(c1)N(CN1CCCCC1c1cccnc1)C(=O)/C/2=C\c1cn(c2c1cccc2)C	4543636	0.98637
5846357	COc1ccc(cc1)C1C(=C(N)N2C(=C1C#N)c1cc(OC)c(cc1CC2)OC)C#N	4543623	0.98618
8870560	Fc1ccc(cc1)C12C=C(C(=O)N2c2c(N1)cccc2)O	4543622	0.98618
17418798	C=CCn1ccc(=Cc2ccc3c([n+]2CC)cc(cc3)C)cc1	4543615	0.98607
46611305	OC(=O)[C@@H](n1nnc(c1)Cn1c(=O)oc2c1cccc2)Cc1c[nH]cn1	4543613	0.98604
43105834	COc1ccc2c(c1Cn1ccnc1c1cnc(n1C)C)cccc2	4543609	0.98595
1130499	COc1ccc(cc1)Nc1cc(C)nc(n1)n1nc(cc1C)C	4543604	0.97000
3772579	CCN(C(=O)Oc1ccc2c(c1c1cc(F)cc(c1)F)ccn2Cc1cccc(c1)Cl)CC	4543597	0.98585
36459694	Cc1onc(n1)CCn1nnc(c1)CC(c1ccccc1)C	4543578	0.98551
5460934	Clc1ccc(cc1Cl)Cn1cnc2c(c1=O)cnn2C(C)(C)C	4543573	0.97000
20648898	CCCc1noc(c1)CNC(=O)c1ccc(nc1)NC1CCOC(C1)(C)C	4543558	0.98523
2581479	COC(=O)C1(N=C(OC(=N1)C)N1CCCCC1)C(F)(F)F	4543554	0.98519
27355394	CCCc1cc(=O)oc2c1ccc(c2)Oc1nc(nc2c1cccc2)c1cccnc1	4543552	0.98517
44160560	COc1ccc(cc1)C1C(=Nc2c(CN1C)cccc2)NC1CCCCC1	4543549	0.98513
24019172	O=C(Nc1noc(c1)C)CN1CCN(CC1)S(=O)(=O)c1snc(n1)c1ccccc1	4543548	0.98513
4586457	CCc1nc(NCCC(c2ccco2)Cc2ccccc2)c2c(n1)c1ccccc1o2	4543542	0.98509
27658893	Fc1cccc(c1)Nc1nc(NCc2ccco2)c2c(n1)cccc2	4543531	0.99000
4672771	CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccc(cc1)OC	4543510	0.98446
17011281	CCOC(=O)N1CCN(CC1)c1[nH]c2ccccc2[nH]c1Cl	4543506	0.98442
1280749	COc1ccc(c(c1)OC)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC	4543503	0.98435
2508220	COc1ccc(cc1OC)C(C(C(Cl)(Cl)Cl)O)c1nccc2c1cc(OC)c(c2)OC	4543489	0.98399
4899575	c1ccc2c(n1)Nc1c(O2)nc2c(n1)cccc2	4543484	0.98395
33331074	O=C(C(Oc1ccc(cc1C)Cl)C)Nc1scc(n1)c1ccccn1	4543475	0.98367
32150796	Clc1cccc(c1)C(CNC(=O)c1ccnc(c1)NC1CC1)O	4543471	0.98358
22734971	Fc1ccc2c(c1)sc(n2)N(C(=O)C1=COCCO1)Cc1cccnc1	4543470	0.97000
26242245	CC[n+]1c(/C=C/c2ccccc2C(F)(F)F)ccc2c1cccc2	4543469	0.98354
31953636	C=CCN(CC(c1ccccc1Cl)O)Cc1ccc(s1)Cl	4543463	0.98343
8239559	CN1c2ccccc2C=CC1C(Cl)(Cl)Cl	4543456	0.98337
3411513	Cc1cc(cc(c1C[n+]1c2cc(ccc2n2c1CCCCC2)C(F)(F)F)C)C(C)(C)C	4543453	0.98330
26809071	COc1ccc(cc1OC)/C=C\1/c2ccccc2c2c1cc1nc(C)cc(c1c2)C	4543439	0.98320
8870558	COc1cccc(c1)C12C=C(C(=O)N2c2c(N1)cccc2)O	4543438	0.98315
5486304	OC(Cn1c2ccc(cc2c(c1c1ccccc1)c1ccccc1)C)CNC1CCCC1	4543436	0.97000
22735115	O=C(N(c1sc2c(n1)c(F)ccc2)Cc1cccnc1)C1=COCCO1	4543428	0.97000
4375730	OC(Cn1c2ccc(cc2c(c1c1ccccc1)c1ccccc1)C)CNC1CCCCC1	4543425	0.97000
36601280	C1CCC(OC1)c1ccc(o1)c1nccn1Cc1ccc2c(c1)OCO2	4543423	0.98287
46457187	O=C(c1cc2ccccc2cc1O)N/N=C(/c1ccccn1)\c1ccccc1	4543420	0.98281
27075033	Clc1ccc(c(c1)n1cc2c(c1c1ccccc1)c(=O)n(n2C)c1ccccc1)O	4543408	0.98256
17418802	C=CC[n+]1c(C=c2ccn(cc2)CC)cc(c2c1cccc2)C	4543407	0.98254
2937141	COc1ccc2c(c1)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1c[nH]c2c1cccc2	4543393	0.98232
3054722	Cc1ccc(cc1)N1C(=C(C(C1=O)c1ccccc1)c1nc2c(s1)cccc2)N	4543391	0.98231
4461941	c1ccc(cc1)CNCCC(c1ccco1)Cc1ccccc1	4543389	0.98227
1253668	CN1c2ccccc2N(C1(C)c1ccccc1)C	4543387	0.98227
46439270	CCN(CC/C(=N/O)/C(c1ccccc1)(c1ccccc1)O)CC	4543380	0.98210
22057022	c1ccc(cc1)N1OC2(C(C1c1ccccc1)CCCC2)N1CCCC1	4543369	0.98193
5571497	Clc1ccc(cc1)c1c(sc2n(n1C(=O)C)cnn2)C(=O)C	4543366	0.98000
24868770	Nc1nccc(n1)N1CCC(CC1)Cn1nnc(c1)CN1CCn2c(C1)ccc2	4543364	0.98183
1026178	O=C(C1=CN2C(N1)C(=CC(=C2)C(F)(F)F)Cl)N1CCCN(CC1)C(=O)OC(C)(C)C	4543356	0.98176
29956568	Fc1cccc(c1)c1nnn(n1)C(C(=O)c1ccc2c(c1)CCC2)C	4543354	0.98173
3752921	N#Cc1c(SC)nc([n+]2c1S[C@@H]1[C@H]2[C@@H](I)CCC1)N	4543353	0.98171
1299691	Oc1c(cc(cc1C(C)(C)C)n1c(nc2c1cccc2)c1cccnc1)C(C)(C)C	4543351	0.98163
3493329	O=C(c1ccc2c(c1)sc1=NS(=O)(=O)CCn21)Nc1cc(ccc1Cl)C(F)(F)F	4543332	0.98120
1991555	Cc1ccc(cc1NC(=O)C(Cl)(Cl)Cl)c1nc2c(o1)cccc2	4543326	0.98000
36616161	OCCn1ncc2c1CN(C2)c1cc(NC2CC2)nc(n1)N	4543323	0.98109
1763813	O=Cc1c(C)n(c2c1cccc2)CC(=O)Nc1ccc(c(c1)Cl)Br	4543320	0.96000
1355930	CN(CCNc1c2CCCc2nc2c1cccc2)C	4543318	0.98000
2104490	Clc1ccc2c(c1)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1cccnc1	4543296	0.98056
35752578	CC([C@@H](C(=O)NOC1CCCCO1)NC1=NS(=O)(=O)c2c1cccc2)C	4543292	0.98048
25619060	COc1cccc(c1)CC(n1nnnc1C)C(=O)O	4543288	0.98040
2047338	IC1CC2CC=CC2CC1[n+]1ccccc1	4543278	0.98020
23809747	Cn1nc(c2c1nc([nH]2)c1cncn1Cc1ccccc1)c1cccnc1	4543270	0.98005
16162217	Fc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)C(=O)NCCCN1C(C)CCCC1C	4543269	0.98000
36409480	Brc1sc2c(c1)n(c(c2)C(=O)NCc1cccc(c1)C(F)(F)F)CC1CC1	4543266	0.97987
3772841	CCN(C(=O)Oc1ccc2c(c1c1cc(F)cc(c1)F)ccn2Cc1ccccc1I)CC	4543256	0.97976
5463738	COc1ccc(c(c1)NC(=O)CSc1snc(n1)c1ccccc1Cl)OC	4543246	0.98000
6778631	[O-][N+](=O)CC1C(=CN(c2c1cccc2)CC(=O)c1ccccc1)c1ccc2c(n1)cccc2	4543246	0.97957
5463736	COc1cc(OC)ccc1NC(=O)CSc1snc(n1)c1ccccc1Cl	4543245	0.98000
6773655	CCOc1ccc2c(c1)C(=NNC(=N)N)c1c2ccc(c1)OCC	4543244	0.97956
32414915	OCCCn1cnc(c1c1coc(n1)c1ccccc1)c1ccccc1	4543241	0.97952
2912270	OCCn1c(C)cc(=Cc2sc3c([n+]2CC)cccc3)cc1C	4543232	0.97933
2575369	C#CCOc1ccc(cc1OC)C1C(=C(N)Oc2c1ccc(c2)O)C#N	4543226	0.98000
2180189	CCc1cc(c(cc1OC)O)c1n[nH]c(c1Oc1ccc(cc1)Cl)C	4543218	0.98000
17418211	COc1cccc(c1)Nc1c([nH]c2c1ccc(c2)OC)[N+](=O)[O-]	4543217	0.97907
2166555	COc1cc(CCNC(=S)Nc2cccc(c2)Cl)ccc1OC	4543216	0.98000
6165775	[O-][N+](=O)c1ccc2c(c1)ccc1c2C=CC2(O1)N(c1ccccc1)c1c(C2(C)C)cccc1	4543209	0.97890
45940877	CCOC(=O)c1ccccc1/C=c/1\sc2=C(I)C(C(=C(n2c1=O)N)C#N)c1ccccc1I	4543202	0.97873
6178537	Cc1ccc(cc1)/N=C/1\NC(=S)N(C21CCC(CC2)C(C)(C)C)c1ccccc1Cl	4543201	0.97872
1486415	C#CCOc1ccc(cc1OC)C1C(=C(N)Oc2c1ccc1c2cccc1)C#N	4543196	0.98000
1479559	CCOc1cc(ccc1OCC#C)C1C(=C(N)Oc2c1ccc(c2)O)C#N	4543195	0.98000
46067196	Oc1ccc(cc1)[C@@H]([C@H](n1nnc(c1)c1ccc(cc1)C#CC(O)(C)C)C)O	4543184	0.97830
697204	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)Cl)F	4543183	0.98000
48324709	Cc1cc(C(=O)NC2=CCC(=O)N2)c(cc1)O	4543183	0.97829
644443	CCc1cc(c(cc1OC(C)C)O)c1n[nH]c(c1Oc1ccccc1)C	4543180	0.98000
26759443	O=C1OC2C=C1CC[C@H]1O[C@@]1(Cc1c2c(C)co1)C	4543175	0.97819
33462886	CCC1CN2CCC1CC2[C@H](c1ccnc2c1cc(OC)cc2)O	4543174	0.97819
5462590	Fc1ccccc1N1CCN(CC1)C(c1cccnc1)CNS(=O)(=O)c1ccccc1	4543173	0.98000
25721978	CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O	4543173	0.97819
492322	CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	4543172	0.97819
1194918	Clc1ccc(cc1)Oc1ccc(cc1Cl)N1C(=NC(=NC1(C)C)N)N	4543167	0.97815
8199660	C=CC1CN2CCC1CC2[C@@H](c1ccnc2c1cc(O)cc2)O	4543164	0.97804
1348330	COc1cc(OC)ccc1CN1CCN(CC1)Cc1cccc(c1)Br	4543162	0.98000
30251667	COc1ccccc1C(N1CCCC1)CNC(=O)c1csc(n1)c1ccc(o1)C	4543162	0.97798
45569930	CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)/N=c/1\n2CCCCCc2nc2c1cccc2	4543161	0.97797
32646843	Cc1ccc(cc1)c1nnc(o1)c1nc(NCCCN2CCc3c(C2)cccc3)c2c(n1)cccc2	4543155	0.97775
24985766	CCOc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Oc1nc2n(c1[N+](=O)[O-])cccc2)C	4543145	0.97750
5463726	COc1ccccc1NC(=O)CSc1snc(n1)c1ccccc1Cl	4543139	0.98000
1978196	CCOc1cc(O)c(cc1CC)c1n[nH]c(c1Oc1ccccc1)C	4543133	0.98000
46635287	CC(C(c1nccn1C)Nc1cc(C)nc(n1)Nc1cccc(c1)O)C	4543133	0.97721
32276909	OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNCCC1C=Nc2c1cccc2	4543127	0.97712
3772463	CCN(C(=O)Oc1ccc2c(c1c1ccc(cc1)C#N)ccn2Cc1cc(Cl)cc(c1)Cl)CC	4543114	0.97688
27209685	O=C(c1ccc2c(c1)n(C)c(=O)/c(=C/c1ccccc1Cl)/s2)N1CCC(CC1)N1CCCCC1	4543112	0.98000
44548069	O=C(c1ccc(nc1)NC1CC1)Nc1cccc(c1)OCC(F)(F)F	4543106	0.97674
36565144	CC#CCn1ccc(n1)c1cccc(c1)c1ccc(nn1)OC	4543103	0.97668
46060438	COc1cc2OCCCOc2cc1c1nnn(c1)C(Cc1ncccc1C)C	4543100	0.97660
4476663	O=C1N(Cc2ccco2)C(SCc2ccccc2)NC2=C1C1(CCCCC1)Cc1c2cccc1	4543095	0.97646
3751089	NNc1nc(nc(n1)N(c1ccccc1)c1ccccc1)Nc1cccc2c1cccc2	4543094	0.97644
1299705	COc1cc2c(cc1OC)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1cccnc1	4543091	0.97643
4550356	N#CC(=c1[nH]c2ccccc2nc1Cl)C#N	4543086	0.97639
24035272	c1ccc(cc1)n1cnc(n1)Sc1nc(nc2c1cccc2)c1cccnc1	4543085	0.97639
15737935	OC(Cn1c2ccccc2c2c1cccc2)CNCCC1C=Nc2c1cccc2	4543084	0.97638
32405791	COCCc1ncc(cn1)c1n(cnc1c1ccccc1)CC1=CCCCC1	4543078	0.97628
26819885	O[C@@]12C[C@H](Nc3c(N1)non3)[C@@H]1O[C@H]2OC1	4543071	0.97614
1489722	Cc1cc(Nc2ccc(c(c2)C)C)n2c(n1)ncn2	4543068	0.96000
46089292	COc1ccc2c(c1)OCC(C2)Cc1nc(N)c2c(n1)cc(c(c2)OC)OC	4543056	0.97569
6205479	ClC1(Cl)C2C1c1ccccc1c1c2cccc1	4543054	0.97566
48285322	O=C(C1CCOCC1)NOc1ccccc1C(F)(F)F	4543053	0.97565
2381646	COc1ccc(cc1)CN1CCN(CC1)Cc1cc(Br)ccc1OC	4543048	0.98000
17102400	COc1cc(ccc1OC)c1coc2c(c1=O)ccc1c2CN(CO1)C1CC(C)(C)NC(C1)(C)C	4543045	0.97553
26437835	COc1cc(ccc1OC)c1coc2c(c1=O)ccc1c2CN(CO1)C[C@@H]1CCCN2[C@@H]1CCCC2	4543044	0.97553
1301010	CC1=C(C#Cc2ccccc2)c2ccccc2OC1(NCc1ccccc1)c1ccccc1	4543043	0.97552
6773053	[O-][N+](=O)c1nonc1NCn1cnnn1	4543042	0.97544
29655722	CCC(c1ccccc1)CNC(=O)c1ccc(cc1)n1n(C)c(=O)n(c1=O)C	4543023	0.97512
2092320	N#CC1=C(N)OC(=C(C1c1ccccc1)n1cnc(n1)[N+](=O)[O-])c1ccccc1	4543020	0.97506
32787055	Cc1ccc(cc1)Nc1cc(C)nc2n1nc(n2)C	4543019	0.98000
44227400	COc1cc(cc(c1OC)OC)C1C2C(=Nc3c1cnn3C(C)(C)C)NC(=O)N2c1ccc(cc1)Cl	4542995	0.97465
26361620	c1ccc(cc1)c1csc2c1c(N/N=C/c1ccc3c(c1)cccn3)ncn2	4542994	0.97451
24837246	CCN(CCN(Cc1cc(Br)ccc1OC)C)CC	4542985	0.98000
2382121	COc1ccccc1CN1CCN(CC1)Cc1cc(Br)ccc1OC	4542984	0.98000
2343542	COc1ccc(cc1CN1CCN(CC1)Cc1ccccc1)Br	4542983	0.98000
5463732	CCOc1ccccc1NC(=O)CSc1snc(n1)c1ccccc1Cl	4542980	0.98000
1862644	CC(CNc1c2CCCc2nc2c1cccc2)C	4542978	0.96000
644379	CCc1cc(c(cc1OC)O)c1n[nH]c(c1Oc1ccccc1)C	4542966	0.98000
1020717	O=C(c1ccc(cc1)C(C)(C)C)NC(C(Cl)(Cl)Cl)Nc1cccc(c1)C(F)(F)F	4542966	0.97395
5807740	Clc1ccc2c(c1)nc1c(n2)Oc2c(N1)nccc2	4542965	0.97395
6175493	Cc1ccc(cc1)/N=C/1\NC(=S)N(C21CCC(CC2)C(C)(C)C)c1cccc(c1)Cl	4542954	0.97364
32710603	CSc1cccc(c1)NC(=O)Nc1cc(F)c2c(c1)ccc(n2)N1CCCCC1	4542953	0.97361
45648397	O=c1cc(Cn2ccnc2c2ccccn2)c2c(o1)cc1c(c2)CCC1	4542950	0.97342
31256027	Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)NCC(S(=O)(=O)c1cccs1)c1ccccc1	4542949	0.97339
25144717	O=C(Nc1ccc(cc1)C(C)C)Nc1ccc2c(c1)CN(Cc1cccc(c1)C(F)(F)F)C(=O)C(O2)C	4542941	0.97328
15256200	N#Cc1c(N)sc2c1CCN(C2)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F	4542938	0.97323
29608213	Fc1cc(CSc2nc3sccc3c(=O)n2c2ccccc2)c2c(c1)cccn2	4542931	0.97308
3773021	CCN(C(=O)Oc1ccc2c(c1c1ccc(cc1)F)ccn2Cc1cccc(c1)Cl)CC	4542928	0.97305
2569555	OC(Cn1c(C)c(c2c1cccc2)C)CNCCc1ccccc1	4542928	0.96000
17451629	O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1ccc2c(c1)c(C)cc(n2)Nc1cccc(c1)C(F)(F)F	4542927	0.97304
5460936	Fc1ccccc1Cn1cnc2c(c1=O)cnn2C(C)(C)C	4542925	0.98000
31256075	Fc1ccc(cc1)C(S(=O)(=O)c1cccs1)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C	4542921	0.97291
4375188	CN(c1ccc(cc1)/N=C/c1n(C)c2c([n+]1C)cccc2)C	4542914	0.96000
26384788	CCN1/C(=C(\NC(=O)C(C)C)/C)/C(=O)c2c(S1(=O)=O)cccc2	4542913	0.97278
1504478	OC(Cn1c(C)c(c2c1cccc2)C)CNC(c1ccccc1)C	4542910	0.96000
26179710	Clc1ccccc1c1nc(c2n1cccc2)/C=N/Nc1ccccc1	4542892	0.97246
2286253	CCN(CCNC1=NCCn2c1cc1c2ccc(c1)OC)CC	4542891	0.97246
45603552	Cc1cn2c(s1)nc(c2/C=c/1\s/c(=C\C(=O)C(C)(C)C)/[nH]c1=O)C	4542881	0.97232
4615909	Cc1nn(c2c1C(c1ccccc1)c1c(O2)ncn(c1=N)CCCN1CCOCC1)c1ccccc1	4542871	0.97212
26385114	CCCCC(=O)N/C(=C\1/C(=O)c2ccccc2S(=O)(=O)N1CC)/C	4542869	0.97207
14276572	Cc1cc(O)nc(n1)Nn1ccc2c(c1=O)cnc1n2nc(n1)C	4542864	0.97202
2919147	N#CC(=c1[nH]c2ccccc2nc1[n+]1ccc(cc1)CC)C#N	4542863	0.97199
35775191	c1ccc2c(c1)c1C=C3C[N+]4(CC3Cc1cc2)CCCC4	4542859	0.97187
35775109	CC[N+]1(CC)CC2=Cc3c(CC2C1)ccc1c3cccc1	4542858	0.97187
25015982	COc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Oc1nc2n(c1[N+](=O)[O-])cccc2)C	4542854	0.97177
48568867	Clc1ccc(cc1)C(Cn1cnnn1)CC(=O)N1CCOC(C1)c1ccccc1	4542849	0.97161
2467734	O=Cc1c2ccccc2n(c1C)CC(=O)Nc1cccc(c1)I	4542848	0.95000
2323224	CCc1ccc(cc1)CNCC(c1ccccc1)O	4542846	0.95000
27208479	O=C(c1ccc2c(c1)n(C)c(=O)/c(=C\c1ccccc1Cl)/s2)N1CCN(CC1)C1CCCCC1	4542845	0.98000
27210187	Cc1cccc(c1)Cn1c2cc(ccc2s/c(=C\c2ccccc2)/c1=O)C(=O)NC1CCN(CC1)Cc1ccccc1	4542844	0.98000
2221094	CCc1cccc2c1n(CCOc1ccccc1F)cc2C#N	4542844	0.95000
30231368	CCC(c1cc[n+](cc1)CC(=O)c1cc(n(c1C)c1cccc(c1)C(F)(F)F)C)CC	4542839	0.97137
4373885	N#CC(=c1ccc2=NC34N(c2c1)C1=C(CCCC1)CC4CCCC3)C#N	4542838	0.97136
27448797	CC1(C)OCCC(C1)NCCC(c1ccccc1)Cc1ccccc1	4542837	0.97136
32030031	COc1ccc(cc1C(Nc1ccc2c(n1)ccc(c2)[N+](=O)[O-])C)F	4542832	0.97124
1081051	OC(Cn1nnc2c1cccc2)Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl	4542830	0.95000
44553006	O=C(c1cc2CCCCc2cc1O)NCCCn1nc2n(c1=O)CCCC2	4542814	0.97091
13854353	O=C(Nc1ccccc1Oc1ccccc1)COC(=O)c1cc(oc1C)C	4542810	0.97084
30372780	c1ccc(cc1)c1nc([nH]c1c1cnc2c(c1)cccc2)c1ccc(cc1)C#Cc1ccccc1	4542792	0.97039
1489714	Cc1ccc(cc1)Nc1cc(C)nc2n1ncn2	4542791	0.98000
4448341	c1ccc(cc1)c1[nH]c(nc1c1cnc2c(c1)cccc2)c1ccc(cc1)C#Cc1ccccc1	4542791	0.97039
2598669	CCc1ccc(cc1)Nc1cc(C)nc2n1nc(n2)C	4542790	0.98000
32390143	Nc1ncc(cn1)c1n(cnc1c1ccccc1)Cc1noc(n1)C1CCCO1	4542789	0.97037
2334429	CCN1CCN(CC1)c1ccc(cc1)Nc1ccnc2c1cc1ccccc1c2	4542776	0.98000
24862232	OCc1nnn(c1)C1CCN(CC1)Cc1cccc2c1OC(C2)(C)C	4542774	0.97002
42913868	O=C(c1ccc(cc1)n1cccn1)NCC(c1ccccc1)(Cc1ccccc1)O	4542770	0.96978
44821032	O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1nnc(c1)CC1CCCCC1)Nc1ccccc1	4542767	0.96965
1078943	Cc1ccc2c(c1)c(c1ccccc1)c(n2CC(CNCc1ccccc1)O)c1ccccc1	4542757	0.95000
20717530	CN(Cc1ccc(s1)C1CCCCO1)CC1CCN(CC1)CCc1ccc(cc1)F	4542756	0.96944
35775206	C[N+]1(C)CC2=Cc3c(CC2(C1)C)ccc1c3cccc1	4542750	0.96931
30015387	CCOC(=O)c1c(C)oc2c1cc(cc2)Oc1n(C)cnc1[N+](=O)[O-]	4542747	0.96923
24492476	CCOc1cc2CC(Oc2cc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C	4542742	0.96913
2976277	COc1ccc2c(c1)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccc(c(c1)OC)O	4542741	0.96910
44566992	O=C(c1cc(n(c1C)CC(F)(F)F)C)Cn1nccc1c1ccncc1	4542735	0.96895
43112448	Oc1cccc(c1)c1nccn1CC1=CCCCC1	4542728	0.96877
46519805	C=CCc1c(C)nc([nH]/c/1=N/c1ccccc1)c1ccccc1	4542727	0.96877
32329313	CC(C1(C)NN=c2n1c1ccccc1[nH]2)(C)C	4542723	0.96875
1122357	O=C(Nc1cc(ccc1Cl)C(F)(F)F)Nc1cccc(c1)F	4542723	0.95000
8234255	c1ccc(cc1)c1nn(cc1n1nnc2c1cccc2)c1ccccc1	4542693	0.96797
48268186	Fc1cccc(c1)CN1CCC(CC1)NCC(c1ccccc1)(O)C	4542692	0.96793
26252453	N#CC1=C([O-])O[C@@]([C@@H]([C@H]1c1ccc(c(c1)Cl)Cl)[n+]1cccc2c1cccc2)(O)c1ccccc1	4542690	0.96788
36445760	NCC1Cc2c(O1)c(cc(c2)C)c1ccnc2c1cccc2C(F)(F)F	4542681	0.96773
19405831	CCn1c2ccc(cc2c2c1cccc2)NC(=O)C(Oc1cccnc1[N+](=O)[O-])C	4542680	0.96773
15253214	CCOC(=O)N1CCC(CC1)Nc1nc2n(c1[N+](=O)[O-])ccs2	4542679	0.96770
26244800	N#C/C(=c\1/ccc2=NC34N(c2c1)C1=C(CCCC1)CC4CCCC3)/C(=O)N	4542678	0.96770
6767897	BrCC1CSc2[n+]1c1ccccc1c(c2)C	4542671	0.96741
43193748	c1ccc2c(c1)nc(cc2)c1nccn1Cc1cn2c(n1)scc2	4542666	0.96735
48325251	NC(=O)CONC(=O)C1CCCCC1C(F)(F)F	4542665	0.96734
2130502	Oc1ccc(cc1)C1NC(=O)NC2=Nc3c(SC(=C12)c1ccccc1)cccc3	4542664	0.96733
43087836	C1CCC(OC1)CCn1ccnc1c1cccc(c1)n1cccn1	4542656	0.96715
2060105	Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cc2ccccc2cc1O	4542655	0.95000
26244511	COc1ccc(cc1)/C=C/1\c2cc(ccc2c2c1cccc2)C(=O)CCCCN1CCCCC1	4542653	0.96700
30261142	Fc1ccc(c(c1)C(N(c1ncc(c(n1)NC1CC1)[N+](=O)[O-])C)C)F	4542652	0.96700
46073972	Cc1cc(NC2CCN(CC2)CCc2ccccc2)nc(n1)N	4542648	0.96693
24007187	CCN1CCc2c(C1)sc(n2)NC(=O)c1sc(nc1c1ccccc1)c1ccco1	4542628	0.96656
31242043	OCCc1nnn(c1)CC1CCN(CC1)C1CCCC(C1)(C)C	4542623	0.96640
4849029	CN1CCC(CC1)Nc1nc2cccc3c2c(c1)c1ccccc1C3=O	4542622	0.96639
4759569	CCN1CCC(CC1)Nc1nc2cccc3c2c(c1)c1ccccc1C3=O	4542621	0.96639
32174298	O=C(c1cc2ccccc2cc1O)Nc1cccc(c1)Cn1ccnc1C	4542614	0.96623
27160019	O=C(N1Cc2c(C)nn(c2n2c(C1c1ccc(cc1)C(C)C)ccc2)c1ccccc1)NCc1ccco1	4542598	0.96597
6770138	O=C(c1ccccc1O)Nc1cc(ccc1Oc1ccccc1c1ccccc1)C(F)(F)F	4542589	0.96580
43196478	C1CCC(CO1)Cn1ccnc1c1cccc2c1non2	4542587	0.96575
11665822	CC1CCN(CC1)Cc1nc(Oc2cccc3c2OC(C3)(C)C)c2c(n1)scc2c1ccccc1	4542574	0.96561
3074672	COc1cccc(c1)N1C(=C(C(C1=O)c1ccccc1)c1nc2c(s1)cccc2)N	4542573	0.96558
37008952	Clc1cc(NCC2(CCOCC2)c2cccc(c2)C(F)(F)F)nc(n1)N	4542570	0.96555
16098704	Oc1ccc(c2c1nccc2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F	4542562	0.97000
2411903	Fc1ccccc1Nc1nc(NCc2ccco2)c2c(n1)cccc2	4542551	0.98000
15998240	COc1cc2c(cc1OC)ncc1c2n(nc1c1ccc(cc1)C)c1ccc(c(c1)C)C	4542549	0.96509
44219089	NC1=NC(N(C(=N1)N)OCc1ccc(cc1)SC(F)(F)F)(C)C	4542548	0.96506
26770136	[O-][N+](=O)c1cccc(c1)C1(C)Nc2ccccc2C(=O)N1/N=C/c1ccco1	4542531	0.96455
22734925	COc1ccc2c(c1)sc(n2)N(C(=O)C1=COCCO1)Cc1cccnc1	4542527	0.95000
43392483	Fc1ccc(cc1)Cn1nc(c2c1sc(c2)C(=O)NCC(c1cc(oc1C)C)(O)C)C	4542518	0.96429
16776895	O=c1oc2cc(ccc2c2c1CCC2)Oc1nc(nc2c1cccc2)c1cccnc1	4542517	0.96428
4814453	CCOc1ccc2c(c1)c(ccn2)C([C@@H]1CC2CCN1CC2CC)O	4542513	0.96423
22735169	COc1ccc2c(c1)nc(s2)N(C(=O)C1=COCCO1)Cc1cccnc1	4542512	0.95000
27023036	C=CCn1cc/c(=C/c2ccc3c([n+]2CC)ccc(c3)C)/c2c1cccc2	4542507	0.96412
46557383	C=CCc1c(C)nc([nH]/c/1=N/c1ccc(cc1)OC)c1ccccc1	4542502	0.96389
33367832	Fc1cc(F)c2c(c1)CCCN2CC1=Nc2ccccc2S(=O)(=O)N1	4542501	0.96388
43594970	c1cc(cc(c1)n1ccnc1c1ncc[nH]1)c1nc2c([nH]1)cccc2	4542497	0.96369
44227126	COc1cc(cc(c1OC)OC)C1C2C(=Nc3c1cnn3C(C)(C)C)NC(=O)N2c1ccccc1	4542471	0.96310
31238999	O=C(C1(CC1)C(F)(F)F)N1CCC(CC1)n1nnc(c1)C(O)(C)C	4542465	0.96288
3772631	CCN(C(=O)Oc1ccc2c(c1c1cc(F)cc(c1)F)ccn2Cc1ccc(cc1)Cl)CC	4542461	0.96273
3772607	CCN(C(=O)Oc1ccc2c(c1c1cc(F)cc(c1)F)ccn2Cc1cc(F)cc(c1)F)CC	4542460	0.96271
15314622	OC(Cn1c2ccc(cc2c(c1C)C)C)CNCc1ccccc1	4542447	0.95000
31296752	CCc1ccc(cc1)C(=O)C[n+]1c(C)n(c2c1cccc2)C(F)F	4542435	0.96210
30262160	Clc1ccc(cc1)C1OCCN(C1)C(C(=O)Nc1cccc2c1cccn2)C	4542413	0.96163
46532718	C=CCc1c(C)nc([nH]/c/1=N/c1ccc(cc1)C)c1ccccc1	4542411	0.96161
45796278	c1ccc(cc1)CSc1ns/c(=N\C(=N\c2ccccc2)\c2ccccc2)/n1c1ccccc1	4542408	0.96155
6887088	Clc1ccc(cc1)C(c1cc(Cl)c2c(c1O)nccc2)c1cc(Cl)c2c(c1O)nccc2	4542400	0.95000
543691	Clc1ccc(cc1)C(=O)C[n+]1c(C)n(c2c1cccc2)C(F)F	4542390	0.96097
31200578	c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)c1nc(NC2CC2)c2c(n1)cccc2	4542389	0.96091
22735283	Fc1cc(F)c2c(c1)sc(n2)N(C(=O)C1=COCCO1)Cc1cccnc1	4542388	0.95000
35776873	C1CC[N+]2(CC1)CC1=Cc3c(CC1C2)ccc1c3cccc1	4542384	0.96077
4375627	C[n+]1c(CCCCc2n(C)c3c([n+]2C)cccc3)n(c2c1cccc2)C	4542382	0.95000
25027698	Fc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Oc1nc2n(c1[N+](=O)[O-])cccc2)C	4542375	0.96065
2080636	OC(c1n(C)c2c([n+]1C)cccc2)c1ccccc1	4542372	0.95000
1253558	OC(Cn1c(C)cc([n+]1C)C)Cn1c2ccccc2c2c1cccc2	4542365	0.95000
31278473	CC[n+]1c(C)cc(n1CC(Cn1c2ccccc2c2c1cccc2)O)C	4542363	0.95000
29929526	COc1cc2c(cc1OC)Cc1c2n(nc1C(=O)Nc1ccncc1)c1ccccc1F	4542362	0.96047
620252	C[n+]1c(CCCCc2sc3c([n+]2C)cccc3)sc2c1cccc2	4542359	0.95000
8207825	OC(Cn1c2c(C)cc(cc2c(c1c1ccccc1)c1ccccc1)C)CNC1CCCCC1	4542351	0.96024
46634721	Fc1ccc(cc1)[C@@H]1CN([C@H]2[C@@H]1N1CCC2CC1)c1ccc2c(n1)cccc2	4542343	0.96014
16360686	O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nccn1Cc1ccccc1Cl	4542342	0.94000
15972145	Brc1ccc(c(c1)NC(=O)c1noc2c1CC(CC2)C(C)(C)C)O	4542340	0.94000
36568572	C1CCC(OC1)c1ccc(s1)c1nccn1CCc1c[nH]cn1	4542339	0.96006
17319324	Clc1ccc(cc1)Nc1ccnc2c1cc(Cl)cc2	4542337	0.98000
8637478	Cc1ccc(cc1)Nc1c(nc2n1ccc(c2)C)c1ccccn1	4542337	0.96000
8637408	CC(c1ccc(cc1)Nc1c(nc2n1cccc2)c1ccccn1)C	4542336	0.94000
5671446	CC(COc1ccc2c(c1)c(O)c(c(n2)C)CN(C1CCN(CC1)C)C)C	4542334	0.96000
5462572	Fc1ccc(cc1)N1CCN(CC1)C(c1cccnc1)CNS(=O)(=O)c1ccc(cc1)Cl	4542332	0.94000
18504879	Clc1cccc(c1)Nc1ccnc2c1cc(Cl)cc2	4542331	0.98000
1821675	Cc1nc(nc(c1)O)Nc1nc(C)c2c(n1)c(C)ccc2	4542322	0.94000
1821312	N=C(Nc1ccccc1O)Nc1nc(C)cc(n1)C	4542321	0.94000
45718092	COc1ccc(cc1)N1C(=O)/C(=C/Nc2ccc(cc2)O)/c2c(C1=O)cccc2	4542318	0.97000
45524993	CCOc1ccc(cc1)N1C(=O)/C(=C/Nc2ccc(cc2)O)/c2c(C1=O)cccc2	4542317	0.97000
1355924	C=CCNc1c2CCCc2nc2c1cccc2	4542317	0.97000
45524849	CCOc1ccc(cc1)N1C(=O)/C(=C/Nc2ccc(cc2)OC)/c2c(C1=O)cccc2	4542316	0.97000
45524801	CCOc1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1)OCC	4542315	0.97000
518146	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	4542313	0.94000
27208469	Clc1cccc(c1)/C=c\1/sc2ccc(cc2n(c1=O)C)C(=O)NC1CCN(CC1)Cc1ccccc1	4542312	0.97000
3071934	CN1CCC2C(C1)c1cc(C)ccc1N2C(=S)Nc1ccc(cc1Cl)Cl	4542312	0.95952
27017956	COc1ccc(cc1)N/C=C\1/C(=O)N(c2ccc(cc2)OC)C(=O)c2c1cccc2	4542310	0.97000
5462562	Fc1ccc(cc1)N1CCN(CC1)C(c1cccnc1)CNS(=O)(=O)c1ccc(cc1)F	4542310	0.94000
27017946	COc1ccc(cc1)N1C(=O)/C(=C/Nc2ccccc2)/c2c(C1=O)cccc2	4542309	0.97000
32383053	Cc1onc(c1)Cn1cnc(c1c1cccc(c1)n1cccn1)c1ccccc1	4542308	0.95939
18894272	CCONC(=O)C(C(C)C)NC1=NS(=O)(=O)c2c1cccc2	4542305	0.95929
24365879	S=C(Nc1ccc2c(c1)c(C)cc(n2)N1CCOCC1)NCCCN1CCc2c(C1)cccc2	4542299	0.94000
20311529	COc1ccc(cc1)/C=C/c1cc[n+](cc1)C	4542293	0.97000
5791357	S=C(Nc1ccc(cc1)Cl)N/N=C/c1c(Sc2ccc(cc2)Cl)nc2n1ccs2	4542293	0.95910
8636853	Cc1ccn2c(c1)nc(c2Nc1ccccc1)c1ccccn1	4542286	0.97000
26770204	O=C(c1ccc2c(c1)/C(=C\c1ccc3c(c1)OCO3)/c1c2cccc1)CCCCN1CCCCC1	4542285	0.95889
5463724	COc1ccc(cc1NC(=O)CSc1snc(n1)c1ccccc1Cl)Cl	4542282	0.97000
43106070	Cc1occ(n1)c1nccn1Cc1cccc(c1)n1cccn1	4542234	0.95735
44306215	Cc1ccc(o1)CNC(=O)c1cc(n2c1cccc2)c1ccn(n1)C1CCCC1	4542233	0.95734
42917411	Cc1ccc(cc1)C1OCCCC1Nc1cc(C)nc(n1)c1ccccn1	4542231	0.95731
43012321	CCc1cc2c(cc1C(C[n+]1ccccc1)O)C(C)(C)CCC2(C)C	4542230	0.95729
5486268	OC(Cn1c2c(C)cc(cc2c(c1c1ccccc1)c1ccccc1)C)CNC1CCCC1	4542227	0.95720
32290320	Cc1ccc(cc1)c1n/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/sn1Cc1ccccc1	4542216	0.95688
45952806	CCOn1nc(OCc2ccccc2)oc2c1n(cn2)c1ccccc1	4542214	0.95686
37120739	CCCC1=Nc2cc(ccc2Sc2c1cccc2)C(=O)NCc1ccco1	4542212	0.97000
5642997	CCCOc1ccc2c(c1)c(O)c(c(n2)C)CN(C1CCN(CC1)C)C	4542207	0.97000
5832468	CCOC(=O)C1CCN(CC1)c1ccccc1C1Nc2ccccc2c2n1c1ccccc1n2	4542205	0.95643
31468236	FC(Oc1ccccc1C(=O)C[n+]1nc(n2c1CCCCC2)CNc1ccc(cc1)Br)F	4542203	0.95640
16056218	CCOC(=O)c1cc(n(c1C)CC(=O)Nc1nc2c(s1)cccc2C)c1ccc(cc1)C	4542199	0.95633
8196693	COc1cc(C)c(c(c1C(C)C)C)C(=S=O)S(=O)(=O)c1ccccc1	4542197	0.95627
27160027	O=C(N1Cc2c(C)nn(c2n2c(C1c1ccc(cc1)C(C)C)ccc2)c1ccccc1)NC1CCCCC1	4542193	0.95622
2395294	O[C@@H](Cn1c(C)c(c2c1cccc2)C)CN1CCN(CC1)Cc1ccccc1	4542185	0.94000
2167712	COc1cc(CCNC(=S)Nc2ccc(cc2Cl)Cl)ccc1OC	4542184	0.97000
36695132	CN1CC(CNCC(c2cc(Cl)ccc2Cl)O)OCC1	4542182	0.95597
46082988	CC(n1nnc(c1)c1cnc(nc1)c1ccccn1)C1=CCCCC1	4542174	0.95585
43062635	Oc1ccc(cc1)[C@@H]([C@H](n1ccnc1c1coc(n1)c1ccccc1)C)O	4542172	0.95583
32374277	Cc1ccc(c(c1)n1cccn1)c1ccc(cc1)C(CN1CCOCC1)O	4542164	0.95564
5838308	S=C(Nc1ccc(cc1Cl)Cl)Nc1ccc(cc1)C1CC1(Cl)Cl	4542162	0.95555
4737339	CN1CCC(CC1)NCCC(c1ccc(cc1)Cl)Cc1ccccc1Cl	4542145	0.95501
24468564	O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1scc(n1)c1[nH]ccc1	4542143	0.95499
44717499	CC(c1nnn(c1)CCc1c[nH]cn1)Cc1ccc2c(c1)OCO2	4542142	0.95496
23835129	c1cnc2c(c1)cc(cc2)CNc1nc2nonc2nc1NC1CC1	4542130	0.95446
32044069	O=C(Cc1csc(n1)c1ccco1)Nc1ccc(c(c1)F)n1cncc1	4542129	0.95444
25827100	CC(=O)Oc1ccccc1/C=C/c1ccc2c([n+]1C)cccc2	4542128	0.95444
8196665	COc1cc(C)c(c(c1C(C)C)C)C(=S=O)S(=O)(=O)c1ccc2c(c1)cccc2	4542124	0.95424
2598731	Cc1cc(Nc2ccc(c(c2)Br)C)n2c(n1)nc(n2)C	4542118	0.97000
26247534	COc1ccc(cc1[N+](=O)[O-])Cn1cncc1/C=N/NC(=S)N	4542109	0.95365
32399735	Cc1cnccc1Cn1cnc(c1CCn1cccn1)c1ccccc1	4542101	0.95355
6801907	CCOc1cc(ccc1OCC)Cc1onc2c1C(=O)CC(C2)c1ccccc1	4542095	0.95348
6162002	Cc1ccc(cc1)/N=C/1\NC(=S)N(C21CCC(CC2)C(C)(C)C)c1ccc(cc1)O	4542092	0.95334
1486503	C=CCOc1ccc(cc1OC)C1C(=C(N)Oc2c1ccc1c2cccc1)C#N	4542091	0.97000
6889062	O=C(Nc1cccc2c1cccc2)CSc1nc2scc(c2c(=O)n1c1ccccc1)c1ccc(o1)C	4542091	0.95333
31291670	Cc1cc(Nc2ccc(cc2)Oc2ccccc2)nc(n1)n1nc(cc1C)C	4542073	0.94000
16862415	Cc1cc(Nc2ccc(cc2)C)nc(n1)n1nc(cc1C)C	4542060	0.94000
2961002	c1ccc(cc1)C1C2=C(CCCC2)Nc2n1nnn2	4542059	0.95244
36509197	O=C(Cn1ccc2c1cccc2C)Nc1scc(n1)c1ccccn1	4542050	0.95231
48217061	COc1ccc(cc1)C(CNC(c1cccs1)C1CC1)O	4542042	0.95223
5797473	Clc1ccc(cc1)CNc1nc(C)nc(c1Oc1ccc(cc1Cl)Cl)C	4542038	0.95203
36446318	CCn1ncc(c1)Cn1nnc(c1)CC(c1ccccc1)C	4542025	0.95173
43059449	Fc1ccc(cc1)C1OCCN(C1)C(=O)c1ccc2c(c1O)nccc2	4542024	0.95172
2944020	Clc1ccc2c(c1)nccc2NN=C1c2ccccc2c2c1cccc2	4542022	0.95165
24322016	CC1CCC(C(C1)OCCC[N+](C)(C)C)C(C)C	4542012	0.97000
31972083	Fc1cccc(c1)CC(n1nnnc1C)C(=O)N1CCCC(C1)C(F)(F)F	4541992	0.95070
43084634	COc1cc(ccc1O)c1nccn1c1ccccc1OC1CCN(CC1)C	4541977	0.95048
30321071	CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCN(C3)Cc1ccccc1)C	4541976	0.95044
32375741	Oc1ccc(cc1c1ccno1)n1ccnc1c1ccccn1	4541973	0.95039
5463728	COc1cccc(c1)NC(=O)CSc1snc(n1)c1ccccc1Cl	4541971	0.97000
2856388	ClCc1cc(=O)n2c(n1)scc2c1ccccc1	4541970	0.95020
17418277	CCn1ccc(=Cc2ccc3c([n+]2C)cc(cc3)C)cc1	4541966	0.95015
46463149	O=c1n(CCC2C=Nc3c2cccc3)ccc2c1cnc1n2ncn1	4541964	0.95008
5807271	CSc1cc(nn1C(=O)Cc1ccc(c(c1)OC)OC)c1ccc(cc1)F	4541959	0.94991
27019263	C=CC[n+]1ccc(c2c1cccc2)/C=C/c1ccccc1O	4541952	0.94970
5791815	CNC(=S)N/N=C/c1c(Sc2ccc(cc2)Cl)nc2n1ccs2	4541943	0.94951
3597515	O=c1cc(CN2CCCCC2c2nc3c(s2)cccc3)nc2n1ccs2	4541929	0.94910
27160781	CCc1nn(c2c1CN(C(=O)NCCc1ccccc1)C(c1n2ccc1)c1cccc(c1)C)c1ccccc1	4541908	0.94855
8870574	Cc1ccc(cc1)C12C=C(C(=O)N2c2c(N1)cccc2)O	4541904	0.94848
48286354	OC(Cn1ncc(c1)n1cccc1)COc1cccc2c1cc[nH]2	4541894	0.94825
32710493	CSc1cccc(c1)NC(=O)Nc1cc(F)c2c(c1)ccc(n2)N1CCCC1	4541881	0.94799
31201596	n1ccc(cc1)Nc1nc(NCc2ccco2)c2c(n1)cccc2	4541879	0.97000
44161787	COc1ccc(cc1)C1NCc2c(N=C1NC(CC(C)(C)C)(C)C)cccc2	4541868	0.94766
1539642	CNc1nc(ncc1F)Nc1ccc(c(c1)Cl)N1CCOCC1	4541863	0.94748
25855288	C[n+]1c(/C=c/2\[nH]c3c(s2)cccc3)sc2c1cccc2	4541861	0.94747
43372461	CNC(=O)c1ccc(cc1)CN(Cc1ccco1)CC1=Nc2ccccc2S(=O)(=O)N1	4541855	0.94724
36555708	CN(Cc1ccccc1)Cc1onc(c1)C[C@@H]1C[C@@H](C1(C)C)NC1CCN(CC1)C	4541852	0.94711
1300932	CCN1c2cc(ccc2N(C1(C)c1ccccc1)CC)[N+](=O)[O-]	4541841	0.94681
14276570	Cc1cc(C)nc(n1)Nn1ccc2c(c1=O)cnc1n2nc(n1)C	4541839	0.94679
15314632	OC(Cn1c2ccc(cc2c(c1C)C)C)CNC(c1ccccc1)C	4541819	0.94000
26405740	CN1CC[C@@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)NC1CCCCC1	4541818	0.94630
46153000	Cc1c(cccc1C)NC(=O)c1cc(cn1CC1CC1)c1cnc(nc1)c1cccnc1	4541808	0.94611
30411863	CCOc1cc(ccc1O)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccccc1	4541802	0.93000
36446848	COCCn1cncc1Cn1ccnc1c1ccc2c(c1)non2	4541795	0.94554
8637448	Cc1ccc(cc1)Nc1c(nc2n1cc(C)cc2)c1ccccn1	4541795	0.94000
5804072	O=C(C(Cl)Cl)Nc1cccc(c1)CCC(=O)c1c(C)c(C)c(c(c1C)C)C	4541793	0.94551
6179739	CCCCCCCn1cnc2c1cccc2	4541793	0.93000
4449026	CCOc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)OC	4541789	0.93000
4392981	CCCCCCCCCn1cnc2c1cccc2	4541788	0.93000
2583313	Oc1ccc(cc1Cl)C1NCc2c(n3c1ccc3)cccc2	4541785	0.93000
1206552	COc1cc(ccc1OC)C1N(C)c2c(N1C)cccc2	4541783	0.94535
1267344	N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC)ccc1c2cccc1	4541779	0.96000
1222346	CCCCCCCCn1cnc2c1cccc2	4541778	0.93000
2330559	Clc1cccc(c1)Cn1cc[n+](c1C)C	4541776	0.94511
43562090	COCC1(CCCC1)Cn1ccnc1c1nccn1C(C)C	4541772	0.94493
5792467	Cc1nc(NCc2ccc(cc2)C)c(c(n1)C)Oc1ccc(cc1Cl)Cl	4541770	0.94485
2755041	Nc1ccc(cc1)c1nc2c(n1C)cccc2	4541769	0.97000
45940899	Clc1ccc(cc1)/N=C\1/NC(=S)N(C21CCCCC2)c1ccc(c(c1)Br)C	4541757	0.94468
31932321	COc1cc2CC(Oc2cc1CNCc1ccnc(c1)n1cccn1)C	4541755	0.94464
3552328	CCN(CCCNc1cc(C)c2c(n1)cc(cc2)OC)CC	4541746	0.97000
5796501	Clc1ccc(c(c1)Cl)Oc1c(C)nc(nc1O)c1ccc(cc1)C(F)(F)F	4541743	0.94436
30407487	Clc1ccc(cc1)c1n[nH]c(c1)c1cc(C)ccc1O	4541742	0.93000
4396958	ICC1(C)CSc2[n+]1c1ccccc1n2Cc1ccccc1	4541740	0.94428
45515103	CN(C(=O)/C(=C/c1ccccc1)/n1nnnc1C)c1ccc2c(c1)cccc2	4541734	0.94404
44529467	COc1cc2CC(Oc2cc1CNC1CCCCC1C(F)(F)F)C	4541718	0.94353
4828543	CCOC(=O)c1coc(c1)CC(=O)c1c(C)cc(cc1O)O	4541715	0.94343
11807895	O=C(N(C1=CCCCC1)Cc1ccco1)CSc1nncn1c1ccccc1F	4541712	0.94336
42911129	Clc1cc(NC2CC2c2cccc(c2F)F)nc(n1)C	4541711	0.94331
48331510	CC(COc1ccc(cc1Cl)NC(=O)c1cn(nc1Br)C(C)(C)C)C	4541708	0.94321
16677703	N#CC(C(C[n+]1ccc(cc1)N)[O-])c1ccccc1	4541705	0.94319
24973887	O=C(Nc1cc(nn1c1nc(C)cc(n1)C)C)CN1CCN(CC1)Cc1cccc(c1)C(F)(F)F	4541703	0.94311
44578131	Cc1ccc(cc1)C(CNC1CCN(CC1)C(=O)OC(C)(C)C)O	4541702	0.94305
45544902	O=C(Cc1cn2c(n1)scc2)NN=C/C=C\1/N(C)c2c(C1(C)C)cccc2	4541684	0.94259
27287920	CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccc(cc1)I)/C(=O)c1c2cccc1	4541680	0.94239
4010361	O=C(Nc1cc(ccc1Cl)C(F)(F)F)Nc1cccc(c1)C	4541663	0.96000
6772761	C=CCSC1=NC2(CC(N1)(C)C)Oc1cc(O)c(cc1C(C2)c1ccccc1)Cl	4541660	0.94194
25755064	COCc1nnn(c1)[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc(c1)C(F)(F)F	4541655	0.94173
207093900	CCC[N+]12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2	4541649	0.94164
33580814	CC[N@+]12CC[C@H](CC1)C(=C(c1ccccc1)c1ccccc1)C2	4541648	0.94164
33579099	CCCC[N@+]12CC[C@H](CC1)C(=C(c1ccccc1)c1ccccc1)C2	4541647	0.94164
33575537	C[N@+]12CC[C@H](CC1)C(=C(c1ccccc1)c1ccccc1)C2	4541646	0.94164
33573838	CCC[N@+]12CC[C@H](CC1)C(=C(c1ccccc1)c1ccccc1)C2	4541645	0.94164
4469155	C[N+]12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2	4541644	0.94164
8201985	CN1CCN(CC1)C1=Cc2ccccc2Sc2c1cc1CCCc1c2	4541636	0.94157
17103890	COc1noc(c1)CCC(=O)Nc1ccc2c(c1)c(C)c(o2)C(=O)c1ccc(cc1)Cl	4541634	0.94145
11784428	O=C1CC(c2c1c(ccc2F)Oc1nc(nc2c1cccc2)c1cccnc1)C	4541631	0.94132
44205033	COc1ccc2c(c1)cc(c(n2)I)C1N2CC3(CN1CC(C2)(C3)C)C	4541609	0.94077
674346	OC(Cn1nnc2c1cccc2)Cn1c2ccc(cc2c2c1ccc(c2)I)I	4541603	0.93000
33656035	C(CNc1c2CCCCc2nc2c1cccc2)CCNc1c2CCCCc2nc2c1cccc2	4541602	0.96000
5480102	OC(Cn1c2ccc(cc2c(c1c1ccccc1)c1ccccc1)C)CN1CCCCCC1	4541600	0.94044
23837333	OCC1(CCCc2ccccc2)CCN(CC1)Cc1cccc(c1)n1cccn1	4541590	0.94002
44161729	CC(c1ccc(cc1)C1Nc2nonc2N=C1NC(C)(C)C)C	4541581	0.93968
43116754	CCn1ncc(c1)Cn1ccnc1c1ccc2c(c1)cco2	4541580	0.93967
2360118	C(Nc1c2CCCCc2nc2c1cccc2)CNc1c2CCCCc2nc2c1cccc2	4541576	0.96000
24399270	O=C(N1CCN(CC1)c1cccc(c1C)C)CCC(=O)N1CCCn2c1cc(n2)c1cccn1C	4541566	0.93924
2895790	O=P(OC(C(Cl)(Cl)Cl)c1ccccc1)(Oc1ccccc1)Oc1ccccc1	4541548	0.93878
7443049	CCCCCCC[n+]1ccc(cc1)C(=O)c1ccccc1	4541532	0.93842
45577163	Oc1cc([N+](=O)[O-])c(cc1/N=C/C=C\1/N(C)c2c(C1(C)C)cccc2)Cl	4541530	0.93840
4370518	CC(=O)C1=C(C[n+]2ccccc2)C(OC1=O)(C)C	4541529	0.93838
16976851	CCn1ccc(n1)C(=O)N(c1sc2c(n1)c(OC)ccc2Cl)Cc1cccnc1	4541514	0.93000
5809175	COC(=O)c1sccc1Oc1ccc(cc1NC(=O)C(Cl)Cl)C(F)(F)F	4541513	0.93798
8270654	COc1cc(ccc1OC)c1ccnc2c1c(N)ccc2OC	4541507	0.93791
1501491	Oc1ccc(c2c1nccc2)CN1CCN(CC1)c1ccccc1	4541502	0.97000
1301020	CC1=C(C#Cc2ccccc2)c2ccccc2OC1(N1CCCCC1)c1ccccc1	4541491	0.93757
27159755	CSc1ccc(cc1)C1N(Cc2c(n3c1ccc3)n(nc2C)c1ccccc1)C(=O)NCc1ccco1	4541490	0.93756
22734939	CCOc1ccc2c(c1)sc(n2)N(C(=O)C1=COCCO1)Cc1cccnc1	4541489	0.93000
26813132	Clc1cccc(c1)N1C(=S)N/C(=N\c2cccc(c2)C(F)(F)F)/C21CCCCC2	4541488	0.93740
27160011	O=C(N1Cc2c(C)nn(c2n2c(C1c1ccc(cc1)C(C)C)ccc2)c1ccccc1)NC1CCCC1	4541487	0.93725
8202155	Clc1ccc2c(c1)C1C(CC[N+]1(C)C)c1c(S2)cccc1	4541479	0.93703
27160015	CC(c1ccc(cc1)C1N(Cc2c(n3c1ccc3)n(nc2C)c1ccccc1)C(=O)NCCc1ccccc1)C	4541475	0.93694
43489105	Cc1nc(Nc2ccc(c(c2)Cl)F)nc(c1)N	4541474	0.97000
36943055	NCC(c1ccccc1)(Cc1ccccc1)O	4541472	0.93690
5769597	COCCn1c(C)cc2c1ccc(c2)N	4541468	0.97000
30152223	Oc1cccc2c1nccc2.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2	4541467	0.97000
7363875	ClCCn1c2ccccc2c2c1cccc2	4541466	0.97000
1184912	C#CCn1c2ccccc2c2c1cccc2	4541465	0.97000
1061991	C=CCn1c2ccccc2c2c1cccc2	4541464	0.97000
4387710	Cc1nc(nc(c1)O)Nc1nc(C)c2c(n1)cccc2	4541459	0.93000
665792	O=C(C(c1ccccc1)c1ccccc1)NC(C(Cl)(Cl)Cl)Nc1ccccc1	4541455	0.93660
45670840	O=c1n(ccc2c1cco2)CC1Cc2c(O1)cccc2	4541444	0.93635
46095086	Oc1cccc(c1)Nc1nc(NCCSc2nncn2C)cc(n1)C	4541443	0.93633
30373182	O=C([C@@H](NC(=O)N1CC(=Nc2c1cccc2)O)Cc1ccccc1)Nc1ccc(c(c1)Cl)F	4541441	0.93631
37121101	CCCC1=Nc2cc(ccc2Sc2c1cc(C)cc2)C(=O)NCc1ccco1	4541439	0.96000
15998414	COc1cc2c(cc1OC)ncc1c2n(nc1c1ccc(cc1)F)c1ccc(c(c1)C)C	4541429	0.93608
26244385	COC(=O)N1[C@]([C@]1(C)c1ccccc1)(C)c1ccccc1	4541428	0.93608
43408046	COc1ccccc1C1CC(=NN1C(=O)c1ccc(o1)Br)c1nc2c([nH]1)cccc2	4541427	0.93601
26377653	COc1cc2/C(=C/C(=S)Nc3cccc(c3C)Cl)/NCCc2cc1OC	4541424	0.93600
13123087	CCc1ccc(cc1)C(=O)C1n2ccccc2=C(C1c1ccccc1)[N+](=O)[O-]	4541419	0.93585
2442325	O=C(Nc1ccc(c(c1)[N+](=O)[O-])Cl)Nc1ccc(c(c1)Cl)Cl	4541414	0.96000
2125882	Clc1ccc(c(c1)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl)C	4541411	0.96000
2119247	Clc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=O)C(Cl)(Cl)Cl)C	4541410	0.96000
27446035	CC1(C)OCCC(C1)NCCC(c1ccccc1)(Cc1ccccc1)C	4541407	0.93558
24857036	COCCCC1CCCN(C1)C1CCN(CC1)c1ccc(cc1)c1ccn[nH]1	4541404	0.93544
2347131	N#CC1=C(N)Oc2c(C1c1cccc(c1OC)OC)ccc1c2cccc1	4541387	0.96000
24860474	Cc1cnccc1N1CCN(CC1)Cc1ccc(cc1)c1nc(C)c(c(=O)[nH]1)F	4541387	0.93507
6786453	IC1C2C3N2C(C1C3)(C(F)(F)F)C(F)(F)F	4541385	0.93496
31248124	OCCc1nnn(c1)CC1CCN(CC1)C(CCC(C)C)C	4541382	0.93483
26762648	COc1ccc(cc1)N1C(=S)N/C(=N\c2ccc(cc2)C)/C21CCC(CC2)C(C)(C)C	4541380	0.93476
29680086	Clc1cc(nc(n1)N)Nc1ccc2c(c1)nc1n2CCCCC1	4541378	0.93473
5290113	COc1cc(CCNC(=S)Nc2cc(Cl)cc(c2)Cl)ccc1OC	4541377	0.96000
2431467	S=C(N1CCC(C1)c1ccccc1)Nc1ccc2c(c1)nc(c(n2)c1ccccn1)c1ccccn1	4541376	0.93466
31196852	CN(c1ccc(cc1)Nc1cc(C)c2c(n1)cccc2)C	4541375	0.93000
1177032	ClC(C1Nc2ccccc2C(O1)(c1ccccc1)c1ccccc1)(Cl)Cl	4541343	0.93376
48229967	Fc1ccc(cc1)[C@@H]1[C@@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	4541335	0.93326
4370358	c1ccc(cc1)C1C=C(c2ccccc2)N2C(C1)(Nc1c2cccc1)c1ccccc1	4541332	0.93319
2045770	COc1cc2cc(c(nc2cc1OC)N)c1nc2c([nH]1)cccc2	4541329	0.93316
5791373	NC(=S)N/N=C/c1c(Sc2ccc(cc2)Cl)nc2n1ccs2	4541325	0.93307
16094088	COc1cc2c(cc1OC)CCN(C2C)C(=O)c1cc2c(s1)c1ccccc1S(=O)(=O)C2	4541320	0.93272
30720270	Fc1cc(CSc2nncn2C2CC2)c2c(c1)cccn2	4541310	0.93235
2167320	COc1cc(CCNC(=S)Nc2ccc(c(c2)Cl)Cl)ccc1OC	4541309	0.96000
5818698	Clc1ccc(c(c1)Cl)Oc1c(NCc2ccccc2)nc(nc1C)C	4541308	0.93216
4522171	CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCc1ccc(cc1)Br)C	4541306	0.93209
1162500	CCCCOc1ccc(cc1)Nc1nc(C)cc(n1)O	4541305	0.93000
48249937	CCN1CCN(CC1)C(CNc1ccc2c(n1)ccc(c2)[N+](=O)[O-])C	4541299	0.93191
44821034	CCCCc1nnn(c1)C[C@H]1C[C@@H]2CCN1C[C@@H]2C(=O)Nc1ccccc1	4541296	0.93181
46497394	Clc1ccc(cc1)N1C(=O)N=C(/C(=C\2/NNC(C2)c2ccc(cc2)C(C)C)/C1=O)O	4541290	0.93165
32414969	CCn1ccc(n1)c1n(cnc1c1ccccc1)Cc1cccnc1n1ncnc1	4541289	0.93163
5496763	OC(Cn1c2ccccc2c2c1cccc2)CNc1c(C)cccc1C	4541286	0.93000
42919195	CN(CC(c1cccc(c1)C(F)(F)F)(O)C)CCCN1CCN(CC1)C	4541282	0.93152
17453919	O=C(N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)NC=N2)OC(C)(C)C	4541278	0.93137
5808216	Fc1cc(F)c(c(c1)c1ccn(n1)C(C)(C)C)O	4541275	0.93118
43095760	Fc1ccc(c(c1c1nccn1CCC1(O)CCCC1)F)F	4541263	0.93083
1955451	O=C(Nc1ccccc1Cl)Nc1cc(ccc1Cl)C(F)(F)F	4541258	0.96000
6152512	CN(c1ccc(cc1)c1c2ccccc2[n+](c2c1cccc2)C)C	4541251	0.94000
13322003	COc1cc(OC)c2c(c1)nc(cc2C)NCCCN(C)C	4541243	0.93039
27022972	CCn1cc/c(=C/c2ccc3c([n+]2C)cccc3)/c2c1cc(C)cc2	4541243	0.93000
31274327	Cc1nc(Nc2ccc(c(c2)C)C)nc(c1)Cl	4541240	0.93000
37120649	CCC1=Nc2cc(ccc2Sc2c1cccc2)C(=O)NCc1ccco1	4541233	0.96000
2596703	Fc1ccc(cc1)Nc1c(nc2n1ccc(c2)C)c1ccccn1	4541229	0.96000
8197351	N=c1c2ccccc2nc2n1CCCCCCCCCCC2	4541229	0.93017
2334435	Clc1cc(Cc2cc(Cl)ccc2O)c(c(c1)Cc1cc(Cl)ccc1O)O	4541225	0.93000
2359277	COc1cc(OC)c(cc1C1N(C)c2c(N1C)cccc2)OC	4541222	0.92994
6779369	CCOC(=O)CN1C=C(c2ccc3c(n2)cccc3)C(c2c1cccc2)C[N+](=O)[O-]	4541221	0.92993
1973084	C[n+]1c(sc2c1cccc2)c1ccccc1	4541217	0.93000
1408565	OC(Cn1c2ccccc2[n+](c1C)C)COCc1ccccc1	4541214	0.93000
8637406	c1ccc(cc1)Nc1c(nc2n1cccc2)c1ccccn1	4541213	0.96000
42981654	COC(=O)c1nc(Nc2ccc(cc2)N(C)C)nc(c1)C	4541206	0.92003
45682796	O=c1nc2c3ccccc3NC3(n2nc1C)CCC(CC3)C(C)(C)C	4541203	0.92954
26449077	CCOC(=O)c1c(C)oc2c1/C(=C/Nc1cccnc1)/C(=O)c1c2cccc1	4541201	0.92951
3997689	ClCc1cc(=O)n2c(n1)scc2c1ccc(cc1)Cl	4541197	0.92944
5514711	CCC(c1ccccc1OCC(CNC1CCCC1)O)C	4541195	0.92000
48234283	CN1CCCC(C1c1ccccc1)CNc1ccc2n(n1)nnn2	4541190	0.92928
1875721	CCOC(=O)c1cnc2c(c1Nc1cc(C)ccc1O)cccc2C(F)(F)F	4541189	0.92000
1357270	COc1nc(NC(=N)N)nc2c1cccc2C	4541186	0.92000
30767454	O=C(N1CCc2c1cccc2)CSc1ncc(n1Cc1ccccc1)c1cccc(c1)[N+](=O)[O-]	4541181	0.92923
520983	ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl	4541181	0.92000
44537766	Oc1ccc(cc1)C1CCc2c(C1)c(C)c1c(n2)cccc1	4541174	0.92908
45639178	O=S1(=O)CCc2c(C1)c(c1ccccc1)c1c(n2)cccc1	4541169	0.92901
4456312	COc1cc(ccc1OC)C1N(Cc2ccccc2)c2c(N1Cc1ccccc1)cccc2	4541164	0.92895
42917833	NC(=O)Nc1cccc(c1)CNc1nc2n(c1[N+](=O)[O-])cccc2	4541162	0.92882
18862447	O=c1cc(CN2CCCCC2c2nc3c(s2)cccc3)nc2n1c(C)cs2	4541159	0.92873
35773064	Clc1cc(Cl)c(cc1C1OCCN(C1)S(=O)(=O)C)F	4541154	0.92858
45553592	COc1cc(/C=C(/c2ncc(o2)c2ccccc2)\Cl)cc(c1O)Br	4541144	0.92839
27364803	O=C(N(c1sc2c(n1)c(C)c(cc2)C)Cc1ccccc1)CSc1nnc2n1cccc2	4541139	0.92823
3214665	O=C(c1cc(n(c1C)CC1COc2c(O1)cccc2)C)CSc1cc(C)c2c(n1)cccc2	4541137	0.92820
27038592	CC(Oc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)c(C)cc(n2)N1CCOCC1)C	4541133	0.92000
30411695	CCOc1cc(ccc1O)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)Cl	4541126	0.92000
2409678	CCOc1cc(ccc1O)c1[nH]c(c(n1)c1ccc(cc1)Cl)c1ccccc1	4541124	0.92000
1065416	Clc1ccc(c(c1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccco1)Cl	4541121	0.92765
26385790	COc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c([nH]2)C	4541114	0.92736
1361144	O=C1CC(ON1c1ccccc1)(C)N1CCOCC1	4541100	0.92693
27208475	Clc1cccc(c1)/C=c\1/sc2ccc(cc2n(c1=O)C)C(=O)N1CCN(CC1)C1CCCCC1	4541099	0.96000
45732366	CCn1c(=O)c2ccccc2c2n1c(nc2O)c1cccc(c1)[N+](=O)[O-]	4541098	0.92686
43388201	N#Cc1cc(NC(c2c(C)noc2C)C)nc2c1cc(cc2)[N+](=O)[O-]	4541095	0.92673
31248335	CC(Cc1nnn(c1)CC1CCCN(C1)C(=O)c1ccc2c(c1)cccn2)C	4541084	0.92651
31221347	O=C1Nc2c(C1Cc1ccc(o1)c1ccccc1Cl)cccc2C	4541083	0.92648
36971226	COc1cccc(c1)NC1CCN(CC1)CC(c1cccc(c1)F)O	4541080	0.92633
43200132	o1nc2c(n1)cc(cc2)c1nccn1Cc1ccc(cc1)n1cncn1	4541067	0.92605
44306171	Cc1ccc(o1)CNC(=O)c1cc(n2c1cccc2)c1ccn(n1)CC1CC1	4541062	0.92580
4786725	c1ccc(cc1)C1CC23OCCN3C3(C1CCCC3)Oc1c2cccc1	4541061	0.92580
4507511	Clc1c(F)nc(c2c1Oc1ccccc1O2)Nc1ccccc1	4541060	0.92580
26378319	S=C(Nc1cccc(c1C)Cl)/C=C/1\NCCc2c1cc1OCCCOc1c2	4541045	0.92537
1105062	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)F	4541042	0.96000
33368296	CC[C@@H]([C@@H](C(=O)NOC1CCCCO1)NC1=NS(=O)(=O)c2c1cccc2)C	4541040	0.92524
45650534	CN(CCC(C(C)(C)C)Nc1cc(C)nc2n1nc(n2)C(F)(F)F)C	4541039	0.92518
44306195	O=C(c1cc(n2c1cccc2)c1ccn(n1)C1CCCC1)NCc1cccnc1	4541029	0.92492
44227130	COc1cc(cc2c1OCO2)C1C2C(=Nc3c1cnn3C(C)(C)C)NC(=O)N2c1ccccc1	4541018	0.92467
2018495	CCN(CCCC(Nc1nc(C)nc2c1cccc2)C)CC	4541011	0.92000
43150089	O=C(c1cccc2n1ncc2)NCc1nncn1C1CCCCC1	4541007	0.92451
5484903	O=c1cc(C)c2c(o1)cc(cc2)Oc1nc(nc2c1cccc2)c1cccnc1	4541001	0.92437
36693452	Fc1cccc(c1)C(CN1CCCCC1Cn1cccn1)O	4540990	0.92412
27058260	COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(cc1)F)C(=O)c1noc(c1)CC(C)C	4540985	0.92399
45934997	COC(=O)/C(=C\c1cc(cc2c1c1ccc(cc1C2)C(C)(C)C)C(C)(C)C)/C(C)(C)C	4540982	0.92394
1826259	NC(=NC(=N)N1CCc2c1cccc2)N	4540962	0.92332
975830	CCN(CCCC(Nc1cc(C)nc2c1ccc(c2)Cl)C)CC	4540959	0.92000
45935839	Cc1ccc2c(c1)/S(=N/S(=O)(=O)c1ccc(cc1)C)/NC(=N2)c1ccccc1	4540958	0.92324
708769	CCN(C1=NC(N=C(O1)C)(C(=O)OC)C(F)(F)F)CC	4540954	0.92314
44227124	COc1cc(ccc1OC)C1C2C(=Nc3c1cnn3C(C)(C)C)NC(=O)N2c1ccccc1	4540953	0.92312
44554284	Clc1cc(Nc2cccc(c2)COC2CCCCC2)nc(n1)N	4540951	0.92309
31929767	Clc1cccc(c1)C(CNc1cc(Cl)nc(n1)N)O	4540942	0.92282
7680904	O=C(Nc1ccc(cc1)Cl)CSC1=NC(CC(N1)c1ccccc1)C(F)(F)F	4540939	0.92273
6745298	[O-][N+](=O)c1ccc(cc1)n1cccc1c1nc(c([nH]1)c1ccccc1)c1ccccc1	4540926	0.92243
14276578	Cc1nn2c(n1)ncc1c2ccn(c1=O)CCc1c[nH]cn1	4540923	0.92231
29807291	CC(c1ccc(cc1)Oc1cc(Br)cc2c1non2)(C)C	4540909	0.92196
43567524	c1ccc(cc1)Cc1onc(n1)Cn1ccnc1c1ccnc2c1cccc2	4540905	0.92184
1310153	Clc1ccc(cc1)c1[nH]nc(c1)c1cc(C)ccc1O	4540892	0.92000
48348562	Cc1cccc(n1)NC(=O)[C@@H]1CCCN1CC1=Nc2ccccc2S(=O)(=O)N1	4540887	0.92137
6744700	N#CC1=C(N)OC(=C(C1c1ccc(cc1)Br)n1cncn1)c1ccccc1	4540879	0.92105
48311481	Fc1ccc(cc1)C1(CNC(=O)c2cc(ccc2O)NC(=O)c2cnoc2C)CC1	4540867	0.92069
43203914	CN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)Cc1ccco1	4540861	0.92053
33564036	COc1c2OCOc2cc2c1C(CC(=O)c1cc(oc1C)C)[N+](CC2)(C)C	4540856	0.92049
26474826	CCCCCC[n+]1ccccc1/C=C\c1cccs1	4540839	0.91987
44561160	O=C(Cn1cc(c2c1cccc2)C)Nc1scc(n1)c1cccn1C	4540836	0.91962