smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC(C)(C[NH+](C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1	ZINC000031792889	202209368	/nfs/dbraw/zinc/20/93/68/202209368.db2.gz	KIQHUYUVSMWAFE-CLFYSBASSA-N	2	2	343.298	3.705	40	30		EHEBLP
CC(C)(C)[NH+]=C(CC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000017123115	563837728	/nfs/dbraw/zinc/83/77/28/563837728.db2.gz	SIKWSKGHHXKEGK-UHFFFAOYSA-N	2	2	332.448	3.889	40	30		EHEBLP
C[NH+](C)CC(C)(C[NH+](C)C)C(=O)/C=C/c1c(Cl)cccc1Cl	ZINC000001607766	563396128	/nfs/dbraw/zinc/39/61/28/563396128.db2.gz	IOVMXIVZGRNYPZ-MDZDMXLPSA-N	2	2	343.298	3.705	40	30		EHEBLP
C[NH+](C)CC(C)(C[NH+](C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000001607770	563396067	/nfs/dbraw/zinc/39/60/67/563396067.db2.gz	KIQHUYUVSMWAFE-VQHVLOKHSA-N	2	2	343.298	3.705	40	30		EHEBLP
NC(=[NH2+])NC(=[NH2+])Nc1cc2c3ccccc3ccc2c2ccccc12	ZINC000001571694	563393237	/nfs/dbraw/zinc/39/32/37/563393237.db2.gz	BVZBXCWXMAAIPR-UHFFFAOYSA-N	2	2	327.391	3.575	40	30		EHEBLP
C[NH+](C)CC(C)(C[NH+](C)C)C(=O)/C=C\c1c(Cl)cccc1Cl	ZINC000017174675	563839562	/nfs/dbraw/zinc/83/95/62/563839562.db2.gz	IOVMXIVZGRNYPZ-KTKRTIGZSA-N	2	2	343.298	3.705	40	30		EHEBLP