smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCOc1ccc(C2=C(c3cccc([N+](=O)[O-])c3)CCOc3ccccc32)cc1	ZINC000028458931	563054933	/nfs/dbraw/zinc/05/49/33/563054933.db2.gz	NBQKFCWOVMESDX-UHFFFAOYSA-N	0	3	430.504	5.277	1	5		IKBFHN
CN1CCCC[C@H]1Cn1cc(C(=O)c2ccc([N+](=O)[O-])c3ccccc23)c2ccccc21	ZINC000013672846	563000155	/nfs/dbraw/zinc/00/01/55/563000155.db2.gz	HKTOILNOPHRIQF-SFHVURJKSA-N	0	3	427.504	5.418	1	5		IKBFHN
Fc1ccc(-[n+]2nc([N-]c3ccccc3)sc2-c2c3ccccc3cc3ccccc32)cc1	ZINC000015936846	563019149	/nfs/dbraw/zinc/01/91/49/563019149.db2.gz	GIMJSCIGDCHQHE-UHFFFAOYSA-N	0	3	448.546	7.276	3	5		IKBFHN
O=C(NCCN1CCCC1)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12	ZINC000073129507	563168626	/nfs/dbraw/zinc/16/86/26/563168626.db2.gz	PUMRIELWNNXSIV-UHFFFAOYSA-N	0	3	436.353	5.062	1	5		IKBFHN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCN1CCCCC1	ZINC000095582765	563188094	/nfs/dbraw/zinc/18/80/94/563188094.db2.gz	IUNWCZLBDXDGDO-UHFFFAOYSA-N	0	3	438.311	5.019	1	5		IKBFHN
O=[N+]([O-])c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000013494218	562991000	/nfs/dbraw/zinc/99/10/00/562991000.db2.gz	SOXZXITXFAWHRC-UHFFFAOYSA-N	0	3	430.548	6.003	1	5		IKBFHN
CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccc([N+](=O)[O-])c3ccccc23)c2ccccc21	ZINC000013672844	563000149	/nfs/dbraw/zinc/00/01/49/563000149.db2.gz	HKTOILNOPHRIQF-GOSISDBHSA-N	0	3	427.504	5.418	1	5		IKBFHN
CN1CCN(c2ccc(Nc3ccnc4ccc(-c5cccc([N+](=O)[O-])c5)cc43)cc2)CC1	ZINC000058538431	563144134	/nfs/dbraw/zinc/14/41/34/563144134.db2.gz	XRUMFCRCPBCILD-UHFFFAOYSA-N	0	3	439.519	5.305	1	5		IKBFHN
CN(C)CCNC(=O)c1cccc2c3ccccc3c(-c3ccc(Br)cc3)nc12	ZINC000027865679	563047523	/nfs/dbraw/zinc/04/75/23/563047523.db2.gz	CGCREQQXGSXWNX-UHFFFAOYSA-N	0	3	448.364	5.109	1	5		IKBFHN
CN(C)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c32)cc1	ZINC000028524794	563056586	/nfs/dbraw/zinc/05/65/86/563056586.db2.gz	FQMDYRGPORXIJD-UHFFFAOYSA-N	0	3	432.545	5.409	1	5		IKBFHN
CN(C)CCOc1ccc([C@H](c2ccc(O)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028709346	563062389	/nfs/dbraw/zinc/06/23/89/563062389.db2.gz	GZXAOMWZGMWGGO-HKBQPEDESA-N	0	3	447.578	6.819	1	5		IKBFHN
O=C(Nc1cccc(OC2CCN(Cc3ccccc3)CC2)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000045322981	563130559	/nfs/dbraw/zinc/13/05/59/563130559.db2.gz	GVEBUUQVLYPMBO-UHFFFAOYSA-N	0	3	446.507	5.282	1	5		IKBFHN
CN(C)CCOc1ccc([C@@H](c2ccc(O)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028709344	563062354	/nfs/dbraw/zinc/06/23/54/563062354.db2.gz	GZXAOMWZGMWGGO-WJOKGBTCSA-N	0	3	447.578	6.819	1	5		IKBFHN
OCC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1	ZINC000027644282	563045089	/nfs/dbraw/zinc/04/50/89/563045089.db2.gz	FASPZWOHBSPNRU-SGWCAAJKSA-N	0	3	440.934	5.420	1	5		IKBFHN
Cc1cccc2c3nc4c(C)cccc4c(-c4ccc(C(=O)NCCN(C)C)cc4)c3[nH]c21	ZINC000071316376	563161950	/nfs/dbraw/zinc/16/19/50/563161950.db2.gz	FAQPUFKBONNWDR-UHFFFAOYSA-N	0	3	436.559	5.445	1	5		IKBFHN