smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN(Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043062164	518776547	/nfs/dbraw/zinc/77/65/47/518776547.db2.gz	JBOSAXVFTHRCCQ-OAQYLSRUSA-N	0	3	463.326	3.895	10	30		JHEEHN
C=CCN(CC=C)C[C@@H](/C(C)=N/NC(N)=[NH2+])[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000048548092	569846515	/nfs/dbraw/zinc/84/65/15/569846515.db2.gz	IGTAYLRCURYNOH-BKEQFZPVSA-N	0	3	473.577	3.780	10	30		JHEEHN
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000012051413	519342288	/nfs/dbraw/zinc/34/22/88/519342288.db2.gz	PSFQESZEWSDEOD-MUUNZHRXSA-N	0	3	475.564	3.529	10	30		JHEEHN
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102518149	535284967	/nfs/dbraw/zinc/28/49/67/535284967.db2.gz	HXQGQUPAJCJDOD-FEYWKWKCSA-N	0	3	452.551	3.857	10	30		JHEEHN
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000012051410	519339751	/nfs/dbraw/zinc/33/97/51/519339751.db2.gz	PSFQESZEWSDEOD-NDEPHWFRSA-N	0	3	475.564	3.529	10	30		JHEEHN
C=CCN(Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043062167	518776616	/nfs/dbraw/zinc/77/66/16/518776616.db2.gz	JBOSAXVFTHRCCQ-NRFANRHFSA-N	0	3	463.326	3.895	10	30		JHEEHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102518142	130171197	/nfs/dbraw/zinc/17/11/97/130171197.db2.gz	HXQGQUPAJCJDOD-UGUGFTGJSA-N	0	3	452.551	3.857	10	30		JHEEHN
C=CCN(CC=C)C[C@H](/C(C)=N/NC(N)=[NH2+])[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000048548090	569846488	/nfs/dbraw/zinc/84/64/88/569846488.db2.gz	IGTAYLRCURYNOH-PQLURMSFSA-N	0	3	473.577	3.780	10	30		JHEEHN