smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1[O-]	ZINC000760703585	652621590	/nfs/dbraw/zinc/62/15/90/652621590.db2.gz	PBVMUPGOJRYSPP-UHFFFAOYSA-N	1	3	387.318	2.488	20	10		GECDHO
Cc1cc(Br)cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1[O-]	ZINC000841069978	653705731	/nfs/dbraw/zinc/70/57/31/653705731.db2.gz	HJRGMXDPOKRBGM-ZDUSSCGKSA-N	1	3	396.251	2.389	20	10		GECDHO
COc1cc(Br)cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1O	ZINC000843125249	653780280	/nfs/dbraw/zinc/78/02/80/653780280.db2.gz	PDUYACYZNRICEJ-PBHICJAKSA-N	1	3	385.302	2.492	20	10		GECDHO
COc1cc(Br)cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1O	ZINC000904391128	654308833	/nfs/dbraw/zinc/30/88/33/654308833.db2.gz	DOYDZFZAECTCRM-AWEZNQCLSA-N	1	3	385.302	2.493	20	10		GECDHO
Cc1cc(Br)cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1[O-]	ZINC000841069976	653705665	/nfs/dbraw/zinc/70/56/65/653705665.db2.gz	HJRGMXDPOKRBGM-CYBMUJFWSA-N	1	3	396.251	2.389	20	10		GECDHO
COc1cc(Br)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1[O-]	ZINC000841087367	653706146	/nfs/dbraw/zinc/70/61/46/653706146.db2.gz	LVAIFVLFKJYAJW-UHFFFAOYSA-N	1	3	398.345	2.469	20	10		GECDHO
COc1cc(Br)cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1O	ZINC000904391135	654308681	/nfs/dbraw/zinc/30/86/81/654308681.db2.gz	DOYDZFZAECTCRM-CQSZACIVSA-N	1	3	385.302	2.493	20	10		GECDHO
COc1cc(Br)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1[O-]	ZINC000729684833	651574471	/nfs/dbraw/zinc/57/44/71/651574471.db2.gz	XMUAKIHGHHZUDH-UHFFFAOYSA-N	1	3	386.334	2.281	20	10		GECDHO
COc1cc(Br)cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1[O-]	ZINC000729684833	651574476	/nfs/dbraw/zinc/57/44/76/651574476.db2.gz	XMUAKIHGHHZUDH-UHFFFAOYSA-N	1	3	386.334	2.281	20	10		GECDHO