smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C)c1[NH+]=C1NC(=[NH2+])c2ccccc21	ZINC000040802660	179029508	/nfs/dbraw/zinc/02/95/08/179029508.db2.gz	XJDSCCXMLKJRJL-UHFFFAOYSA-N	2	2	249.317	3.101	10	30		BGEELP
CCCCCCC[NH2+]C[C@@H](C)[NH+]1CCCCC1	ZINC000103091164	188150815	/nfs/dbraw/zinc/15/08/15/188150815.db2.gz	FNCHGEQAAUNDND-OAHLLOKOSA-N	2	2	240.435	3.421	10	30		BGEELP
CCCCCCC[NH2+]C[C@H](C)[NH+]1CCCCC1	ZINC000103091168	187291643	/nfs/dbraw/zinc/29/16/43/187291643.db2.gz	FNCHGEQAAUNDND-HNNXBMFYSA-N	2	2	240.435	3.421	10	30		BGEELP
CCCCCCC[N@@H+](C)CC[NH2+]C(C)(C)C	ZINC000103625003	187291316	/nfs/dbraw/zinc/29/13/16/187291316.db2.gz	XWZGQGMJZYAVBH-UHFFFAOYSA-N	2	2	228.424	3.277	10	30		BGEELP
CCCCCCC[N@H+](C)CC[NH2+]C(C)(C)C	ZINC000103625003	187291314	/nfs/dbraw/zinc/29/13/14/187291314.db2.gz	XWZGQGMJZYAVBH-UHFFFAOYSA-N	2	2	228.424	3.277	10	30		BGEELP
CCCCCCC[N@@H+](CC[NH3+])Cc1ccccc1	ZINC000104783353	520051711	/nfs/dbraw/zinc/05/17/11/520051711.db2.gz	JNKHUKAQOSACEZ-UHFFFAOYSA-N	2	2	248.414	3.418	10	30		BGEELP
CCCCCCC[N@H+](CC[NH3+])Cc1ccccc1	ZINC000104783353	520051700	/nfs/dbraw/zinc/05/17/00/520051700.db2.gz	JNKHUKAQOSACEZ-UHFFFAOYSA-N	2	2	248.414	3.418	10	30		BGEELP
C=C(C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180666086	353404551	/nfs/dbraw/zinc/40/45/51/353404551.db2.gz	UULPIENTWIQELK-ZDUSSCGKSA-N	2	2	241.338	3.099	10	30		BGEELP
C=C(C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180666103	353404810	/nfs/dbraw/zinc/40/48/10/353404810.db2.gz	UULPIENTWIQELK-CYBMUJFWSA-N	2	2	241.338	3.099	10	30		BGEELP
CCC/[NH+]=C1\CC[N@@H+]2CCc3ccccc3[C@H]2C1	ZINC000584621238	358288858	/nfs/dbraw/zinc/28/88/58/358288858.db2.gz	XDUOHKZFYMUHFR-WECAROLCSA-N	2	2	242.366	3.231	10	30		BGEELP
CCC/[NH+]=C1\CC[N@@H+]2CCc3ccccc3[C@@H]2C1	ZINC000584621239	358288787	/nfs/dbraw/zinc/28/87/87/358288787.db2.gz	XDUOHKZFYMUHFR-WUVIJCSQSA-N	2	2	242.366	3.231	10	30		BGEELP