smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C	ZINC001313863566	1071382587	/nfs/dbraw/zinc/38/25/87/1071382587.db2.gz	WJWOKOKRTXFAFD-VQTJNVASSA-N	1	3	499.660	3.662	20	5		JHBDHO
C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1	ZINC001314925740	1071368761	/nfs/dbraw/zinc/36/87/61/1071368761.db2.gz	ACDUMQFYALQMFY-OAQYLSRUSA-N	1	3	469.634	3.894	20	5		JHBDHO
C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1	ZINC001314925740	1071368776	/nfs/dbraw/zinc/36/87/76/1071368776.db2.gz	ACDUMQFYALQMFY-OAQYLSRUSA-N	1	3	469.634	3.894	20	5		JHBDHO
CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C	ZINC001313863567	1071382627	/nfs/dbraw/zinc/38/26/27/1071382627.db2.gz	WJWOKOKRTXFAFD-WOJBJXKFSA-N	1	3	499.660	3.662	20	5		JHBDHO
CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C	ZINC001313858235	1071358483	/nfs/dbraw/zinc/35/84/83/1071358483.db2.gz	AAOCDJUOPIDBNW-ZCNNSNEGSA-N	1	3	455.607	3.504	20	5		JHBDHO
CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C	ZINC001313863565	1071382385	/nfs/dbraw/zinc/38/23/85/1071382385.db2.gz	WJWOKOKRTXFAFD-UXHICEINSA-N	1	3	499.660	3.662	20	5		JHBDHO
C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1	ZINC001314925738	1071368912	/nfs/dbraw/zinc/36/89/12/1071368912.db2.gz	ACDUMQFYALQMFY-NRFANRHFSA-N	1	3	469.634	3.894	20	5		JHBDHO
C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1	ZINC001314925738	1071368923	/nfs/dbraw/zinc/36/89/23/1071368923.db2.gz	ACDUMQFYALQMFY-NRFANRHFSA-N	1	3	469.634	3.894	20	5		JHBDHO
CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C	ZINC001313858233	1071359065	/nfs/dbraw/zinc/35/90/65/1071359065.db2.gz	AAOCDJUOPIDBNW-AQNXPRMDSA-N	1	3	455.607	3.504	20	5		JHBDHO
CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C	ZINC001313863564	1071382704	/nfs/dbraw/zinc/38/27/04/1071382704.db2.gz	WJWOKOKRTXFAFD-PMACEKPBSA-N	1	3	499.660	3.662	20	5		JHBDHO
CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C	ZINC001313858232	1071358014	/nfs/dbraw/zinc/35/80/14/1071358014.db2.gz	AAOCDJUOPIDBNW-AABGKKOBSA-N	1	3	455.607	3.504	20	5		JHBDHO
CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C	ZINC001313858234	1071358334	/nfs/dbraw/zinc/35/83/34/1071358334.db2.gz	AAOCDJUOPIDBNW-UFYCRDLUSA-N	1	3	455.607	3.504	20	5		JHBDHO