smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1)C1CC1	ZINC000736801481	944893409	/nfs/dbraw/zinc/89/34/09/944893409.db2.gz	WKQVFZVCZDUUDX-UHFFFAOYSA-N	0	3	316.369	0.587	20	50		DCGDHN
C[N@@H+](CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1)C1CC1	ZINC000736801481	944893425	/nfs/dbraw/zinc/89/34/25/944893425.db2.gz	WKQVFZVCZDUUDX-UHFFFAOYSA-N	0	3	316.369	0.587	20	50		DCGDHN
C[NH+]1CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000826022992	607722377	/nfs/dbraw/zinc/72/23/77/607722377.db2.gz	UYPBGSQZYJASLV-UHFFFAOYSA-N	0	3	301.354	0.652	20	50		DCGDHN
O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNc1ccncc1	ZINC000826412974	609172825	/nfs/dbraw/zinc/17/28/25/609172825.db2.gz	LRTUFHILJPJQOB-UHFFFAOYSA-N	0	3	310.321	0.239	20	50		DCGDHN
CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N(C)C	ZINC000824185324	607341302	/nfs/dbraw/zinc/34/13/02/607341302.db2.gz	VXXGEZWNOHPHKW-LBPRGKRZSA-N	0	3	303.370	0.896	20	50		DCGDHN
CC(C)[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N(C)C	ZINC000824185323	607352114	/nfs/dbraw/zinc/35/21/14/607352114.db2.gz	VXXGEZWNOHPHKW-GFCCVEGCSA-N	0	3	303.370	0.896	20	50		DCGDHN
O=C(NNc1cc[nH+]cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000826449318	609264401	/nfs/dbraw/zinc/26/44/01/609264401.db2.gz	MHDFIJTWFLPDGK-UHFFFAOYSA-N	0	3	314.284	0.971	20	50		DCGDHN