smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2cc(CN3CC=CCC3)c([N+](=O)[O-])cc2[nH]c1=O	ZINC000027758495	581101780	/nfs/dbraw/zinc/10/17/80/581101780.db2.gz	WQDNWRKVUVAGDZ-UHFFFAOYSA-N	1	0	302.290	0.887	1	5		DCBFRO
CC(C)(CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084596603	717135786	/nfs/dbraw/zinc/13/57/86/717135786.db2.gz	XZLGIZJACGYZNG-UHFFFAOYSA-O	1	0	301.802	0.509	1	5		DCBFRO
COCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1	ZINC000071295255	717133182	/nfs/dbraw/zinc/13/31/82/717133182.db2.gz	COSTZFLZTXCUAL-UHFFFAOYSA-N	1	0	305.395	0.195	1	5		DCBFRO
CC[NH+](CC)CCNc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-]	ZINC000005886555	181292916	/nfs/dbraw/zinc/29/29/16/181292916.db2.gz	NYEUAKOHUDTNHD-UHFFFAOYSA-N	1	0	322.325	0.164	1	5		DCBFRO
Cn1c(=O)nc2n(-c3cc[n+](C)cc3)c3ccccc3nc-2c1=O	ZINC000013755552	181890276	/nfs/dbraw/zinc/89/02/76/181890276.db2.gz	GULRJNZBMXTKFC-UHFFFAOYSA-N	1	0	320.332	0.409	1	5		DCBFRO
C[N+]1(CCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)CCOCC1	ZINC000100729726	717143780	/nfs/dbraw/zinc/14/37/80/717143780.db2.gz	IBSHRNDMGHASAQ-STQMWFEESA-N	1	0	313.805	0.981	3	5		DCBFRO
CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084596858	192443698	/nfs/dbraw/zinc/44/36/98/192443698.db2.gz	TWXWLVQMLQMQRI-QMMMGPOBSA-O	1	0	315.829	0.899	1	5		DCBFRO
C[N+]1(CCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CCOCC1	ZINC000100729730	717143756	/nfs/dbraw/zinc/14/37/56/717143756.db2.gz	IBSHRNDMGHASAQ-CHWSQXEVSA-N	1	0	313.805	0.981	3	5		DCBFRO
C[N+]1(CCN2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)CCOCC1	ZINC000004104163	280177744	/nfs/dbraw/zinc/17/77/44/280177744.db2.gz	IBSHRNDMGHASAQ-QWHCGFSZSA-N	1	0	313.805	0.981	3	5		DCBFRO
CC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084587660	717135696	/nfs/dbraw/zinc/13/56/96/717135696.db2.gz	CZOBQZSQCIQAQN-ZETCQYMHSA-O	1	0	301.802	0.509	1	5		DCBFRO
CC[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084587886	717135710	/nfs/dbraw/zinc/13/57/10/717135710.db2.gz	CZOBQZSQCIQAQN-SSDOTTSWSA-O	1	0	301.802	0.509	1	5		DCBFRO
CC(C)[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084596980	717136217	/nfs/dbraw/zinc/13/62/17/717136217.db2.gz	VUIQQQXCPLQUKM-QMMMGPOBSA-O	1	0	315.829	0.755	1	5		DCBFRO
O=c1c2ccccc2n2nnc3ccc(NCC[NH2+]CCO)c1c32	ZINC000005732911	181278702	/nfs/dbraw/zinc/27/87/02/181278702.db2.gz	ZPTZQTRXGWKCLC-UHFFFAOYSA-N	1	0	323.356	0.828	1	5		DCBFRO
CC(C)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1	ZINC000013743358	581099157	/nfs/dbraw/zinc/09/91/57/581099157.db2.gz	AEDLNEYZMCRALO-UHFFFAOYSA-N	1	0	304.306	0.891	1	5		DCBFRO
CCC[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084596800	717136043	/nfs/dbraw/zinc/13/60/43/717136043.db2.gz	TWXWLVQMLQMQRI-MRVPVSSYSA-O	1	0	315.829	0.899	1	5		DCBFRO
C[N+]1(CCN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)CCOCC1	ZINC000018154888	717112829	/nfs/dbraw/zinc/11/28/29/717112829.db2.gz	IBSHRNDMGHASAQ-OLZOCXBDSA-N	1	0	313.805	0.981	3	5		DCBFRO
CC(C)[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084619773	717135734	/nfs/dbraw/zinc/13/57/34/717135734.db2.gz	VUIQQQXCPLQUKM-MRVPVSSYSA-O	1	0	315.829	0.755	1	5		DCBFRO