smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](CC)Cn1c2nc3ccccc3nc2c2c1nc(C)oc2=N	ZINC000004195148	204127869	/nfs/dbraw/zinc/12/78/69/204127869.db2.gz	NKQWDOUKDKCFPN-CQSZACIVSA-N	0	3	363.465	4.730	3	5		FJBFHN
COC(=O)C1=C(C)Nc2ccccc2SC1c1ccccc1[N+](=O)[O-]	ZINC000101329216	222269759	/nfs/dbraw/zinc/26/97/59/222269759.db2.gz	NBFHVVITMPLNJD-HVESIFNPSA-N	0	3	356.403	4.950	1	5		FJBFHN
CCN1CCc2c3ccccc3sc2[C@@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000013781861	211060382	/nfs/dbraw/zinc/06/03/82/211060382.db2.gz	KUJMJVJTQWVBSI-GOSISDBHSA-N	0	3	352.459	4.819	1	5		FJBFHN
CN(C)CCn1c2ccccc2c2sc3cc(Cl)ccc3c(=O)c21	ZINC000043020091	205099696	/nfs/dbraw/zinc/09/96/96/205099696.db2.gz	AHUYEJBHLVXZFJ-UHFFFAOYSA-N	0	3	356.878	4.584	1	5		FJBFHN
CCN1CCc2c3ccccc3sc2[C@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000013781862	211059501	/nfs/dbraw/zinc/05/95/01/211059501.db2.gz	KUJMJVJTQWVBSI-SFHVURJKSA-N	0	3	352.459	4.819	1	5		FJBFHN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@@H]2CCCN2C1	ZINC000014824827	220134169	/nfs/dbraw/zinc/13/41/69/220134169.db2.gz	RFPUTOSCASFEEO-AWEZNQCLSA-N	0	3	363.457	4.539	1	5		FJBFHN
CCCC[C@H](CC)Cn1c2nc3ccccc3nc2c2c1nc(C)oc2=N	ZINC000004195149	207006627	/nfs/dbraw/zinc/00/66/27/207006627.db2.gz	NKQWDOUKDKCFPN-AWEZNQCLSA-N	0	3	363.465	4.730	3	5		FJBFHN
c1ccc(CCN2CCN(c3nc4ccccc4c4ccccc43)CC2)cc1	ZINC000103261582	132237413	/nfs/dbraw/zinc/23/74/13/132237413.db2.gz	QTQGAAKFLKJMAD-UHFFFAOYSA-N	0	3	367.496	4.753	1	5		FJBFHN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@H]2CCCN2C1	ZINC000014824829	220134302	/nfs/dbraw/zinc/13/43/02/220134302.db2.gz	RFPUTOSCASFEEO-CQSZACIVSA-N	0	3	363.457	4.539	1	5	biogenic,in-vitro	FJBFHN
O=c1[nH]c2cc(CN3CC=C(c4ccccc4)CC3)ccc2c2ccccc21	ZINC000028527089	581101182	/nfs/dbraw/zinc/10/11/82/581101182.db2.gz	RXXRSJMPZOLNLZ-UHFFFAOYSA-N	0	3	366.464	4.971	1	5		FJBFHN