smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N(C(=O)C[n+]1ccc(-c2cc[n+](CC(=O)N(c3ccccc3)C(C)C)cc2)cc1)c1ccccc1	ZINC000002597197	552134704	/nfs/dbraw/zinc/13/47/04/552134704.db2.gz	TVJVRTWWIIUENG-UHFFFAOYSA-N	2	0	508.666	4.812	50	30		KJEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(F)cc3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(F)cc3)[NH+]=C(N)N2)cc1C#N	ZINC000150426021	571490201	/nfs/dbraw/zinc/49/02/01/571490201.db2.gz	CCYXYSBRHVXGKC-LQJZCPKCSA-N	2	0	776.859	4.588	50	30		KJEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(F)cc3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(F)cc3)[NH+]=C(N)N2)cc1C#N	ZINC000150426026	571490231	/nfs/dbraw/zinc/49/02/31/571490231.db2.gz	CCYXYSBRHVXGKC-CZFRINIUSA-N	2	0	776.859	4.588	50	30		KJEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(F)cc3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(F)cc3)[NH+]=C(N)N2)cc1C#N	ZINC000150426029	571490245	/nfs/dbraw/zinc/49/02/45/571490245.db2.gz	CCYXYSBRHVXGKC-CZNDPXEESA-N	2	0	776.859	4.588	50	30		KJEARP
Cc1cccc([C@@H]2N=C(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@@H](c6cccc(C)c6)[NH+]=C(N)N5)cc4C#N)c(C#N)c3)NC(N)=[NH+]2)c1	ZINC000150426313	571490582	/nfs/dbraw/zinc/49/05/82/571490582.db2.gz	YQTGSNMWLSMBGU-PXLJZGITSA-N	2	0	768.933	4.926	50	30		KJEARP
Cc1cccc([C@@H]2N=C(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@H](c6cccc(C)c6)[NH+]=C(N)N5)cc4C#N)c(C#N)c3)NC(N)=[NH+]2)c1	ZINC000150426317	571490592	/nfs/dbraw/zinc/49/05/92/571490592.db2.gz	YQTGSNMWLSMBGU-HJWAMQHWSA-N	2	0	768.933	4.926	50	30		KJEARP
Cc1cccc([C@H]2N=C(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@H](c6cccc(C)c6)[NH+]=C(N)N5)cc4C#N)c(C#N)c3)NC(N)=[NH+]2)c1	ZINC000150426323	571490522	/nfs/dbraw/zinc/49/05/22/571490522.db2.gz	YQTGSNMWLSMBGU-VSJLXWSYSA-N	2	0	768.933	4.926	50	30		KJEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccccc3F)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3F)[NH+]=C(N)N2)cc1C#N	ZINC000150426897	571491141	/nfs/dbraw/zinc/49/11/41/571491141.db2.gz	BDGPGEYVJVVFHQ-LQJZCPKCSA-N	2	0	776.859	4.588	50	30		KJEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccccc3F)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3F)[NH+]=C(N)N2)cc1C#N	ZINC000150426903	571491191	/nfs/dbraw/zinc/49/11/91/571491191.db2.gz	BDGPGEYVJVVFHQ-CZFRINIUSA-N	2	0	776.859	4.588	50	30		KJEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccccc3F)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3F)[NH+]=C(N)N2)cc1C#N	ZINC000150426911	571491183	/nfs/dbraw/zinc/49/11/83/571491183.db2.gz	BDGPGEYVJVVFHQ-CZNDPXEESA-N	2	0	776.859	4.588	50	30		KJEARP
Cc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@@H](c5ccccc5C)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426920	571491168	/nfs/dbraw/zinc/49/11/68/571491168.db2.gz	GOFBFXGFBUUKDB-PXLJZGITSA-N	2	0	768.933	4.926	50	30		KJEARP
Cc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@H](c5ccccc5C)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426928	571491154	/nfs/dbraw/zinc/49/11/54/571491154.db2.gz	GOFBFXGFBUUKDB-HJWAMQHWSA-N	2	0	768.933	4.926	50	30		KJEARP
Cc1ccccc1[C@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@H](c5ccccc5C)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426932	571491220	/nfs/dbraw/zinc/49/12/20/571491220.db2.gz	GOFBFXGFBUUKDB-VSJLXWSYSA-N	2	0	768.933	4.926	50	30		KJEARP