smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccccc2n(C[C@@H](O)CN2CCCC2)c2ccccc12	ZINC000040860790	183144063	/nfs/dbraw/zinc/14/40/63/183144063.db2.gz	HXGWKODKXUIEJW-HNNXBMFYSA-N	0	3	322.408	2.611	1	5		DFBFHN
O=c1c2ccc(Cl)cc2oc2ccc(CNCCO)cc12	ZINC000040875817	183145577	/nfs/dbraw/zinc/14/55/77/183145577.db2.gz	SFYKTKBAVAFDOD-UHFFFAOYSA-N	0	3	303.745	2.682	1	5		DFBFHN
CC(CO)(CO)NCc1ccc2c3c4c(cccc4ccc31)C2	ZINC000005761715	181281344	/nfs/dbraw/zinc/28/13/44/181281344.db2.gz	KVWFUWWEHUZGKJ-UHFFFAOYSA-N	0	3	307.393	2.730	1	5		DFBFHN
CC(CO)(CO)NCc1c2c3c(cccc3c3ccccc31)CC2	ZINC000003791639	181045939	/nfs/dbraw/zinc/04/59/39/181045939.db2.gz	LOUZLGIOPQXIPS-UHFFFAOYSA-N	0	3	321.420	2.925	1	5		DFBFHN
O=c1c2ccccc2n(C[C@H](O)CN2CCCC2)c2ccccc12	ZINC000040860788	183143725	/nfs/dbraw/zinc/14/37/25/183143725.db2.gz	HXGWKODKXUIEJW-OAHLLOKOSA-N	0	3	322.408	2.611	1	5		DFBFHN
Cc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12	ZINC000005808493	181285628	/nfs/dbraw/zinc/28/56/28/181285628.db2.gz	VBSZRVVFTRYDCU-UHFFFAOYSA-N	0	3	307.397	2.988	1	5		DFBFHN
CCCCNc1ccc(C(=O)OCCN(C)C)cc1[N+](=O)[O-]	ZINC000073164570	191286843	/nfs/dbraw/zinc/28/68/43/191286843.db2.gz	XAXMKMICPYHVNA-UHFFFAOYSA-N	0	3	309.366	2.525	1	5		DFBFHN
O=c1[nH]c2ncc(C3=NCCN3)cc2c2c3ccccc3sc21	ZINC000040979868	183154470	/nfs/dbraw/zinc/15/44/70/183154470.db2.gz	YHTZGPYKJVBIHM-UHFFFAOYSA-N	0	3	320.377	2.641	1	5		DFBFHN
CCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1N(C)C	ZINC000028234108	182514838	/nfs/dbraw/zinc/51/48/38/182514838.db2.gz	MLCHLSURSJWBKC-LSDHHAIUSA-N	0	3	305.378	2.821	1	5		DFBFHN