smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(Nc1ccc(S(N)(=O)=O)cc1)Nc1nc(N)cc(=O)[n-]1	ZINC000005995610	181304502	/nfs/dbraw/zinc/30/45/02/181304502.db2.gz	RCPSZDMAYGVNBZ-UHFFFAOYSA-N	-1	3	323.338	-0.942	40	30		DBEBHM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)[N-]c1nc(N)n[nH]1	ZINC000008653513	382484573	/nfs/dbraw/zinc/48/45/73/382484573.db2.gz	GWESTDOSUVAOFA-UHFFFAOYSA-N	-1	3	316.237	-0.256	40	30		DBEBHM
Cc1c(C#N)c(=O)n(C[C@@H](C)O)c([O-])c1CN1CCN(C)CC1	ZINC000019690869	182136808	/nfs/dbraw/zinc/13/68/08/182136808.db2.gz	ISCKLTMNRHYSLJ-LLVKDONJSA-N	-1	3	320.393	-0.138	40	30		DBEBHM
COC(=O)C(=O)C(C(=O)C=C(C)C)=c1[n-]c2nnc(N)n2c1=O	ZINC000104247186	412509729	/nfs/dbraw/zinc/50/97/29/412509729.db2.gz	DFWXBZCNQLNNAR-SSDOTTSWSA-N	-1	3	319.277	-0.520	40	30		DBEBHM
COC(=O)C(=O)C(C(=O)C=C(C)C)=c1[n-]c2nnc(N)n2c1=O	ZINC000104247181	412510105	/nfs/dbraw/zinc/51/01/05/412510105.db2.gz	DFWXBZCNQLNNAR-ZETCQYMHSA-N	-1	3	319.277	-0.520	40	30		DBEBHM
COc1c([O-])ccc(C=NNc2nnc(C)n2N)c1[N+](=O)[O-]	ZINC000408720007	412428995	/nfs/dbraw/zinc/42/89/95/412428995.db2.gz	IQNLYQWXORKVPR-WLRTZDKTSA-N	-1	3	307.270	0.369	40	30		DBEBHM
COc1ccc(S(=O)(=O)NN=Cc2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000001585241	374242114	/nfs/dbraw/zinc/24/21/14/374242114.db2.gz	FPBPDPBMNFXAFD-NTUHNPAUSA-N	-1	3	324.318	-0.204	40	30		DBEBHM
C=CCN1C(=O)C(=CNN2CCN(C)CC2)C(=O)[N-]C1=S	ZINC000002383376	977394290	/nfs/dbraw/zinc/39/42/90/977394290.db2.gz	BEDZYUPNIFFLQD-KTKRTIGZSA-N	-1	3	309.395	-0.108	40	30		DBEBHM
COc1ccc(S(=O)(=O)NN=Cc2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000017140976	182077095	/nfs/dbraw/zinc/07/70/95/182077095.db2.gz	FPBPDPBMNFXAFD-QPEQYQDCSA-N	-1	3	324.318	-0.616	40	30		DBEBHM
Cc1c(C#N)c(=O)n(C[C@H](C)O)c([O-])c1CN1CCN(C)CC1	ZINC000019690871	182136338	/nfs/dbraw/zinc/13/63/38/182136338.db2.gz	ISCKLTMNRHYSLJ-NSHDSACASA-N	-1	3	320.393	-0.138	40	30		DBEBHM
Cc1c(C#N)c(=O)n(CCO)c([O-])c1CN1CCN(C)CC1	ZINC000019683169	182136944	/nfs/dbraw/zinc/13/69/44/182136944.db2.gz	HGFLUFIOQAPIDO-UHFFFAOYSA-N	-1	3	306.366	-0.526	40	30		DBEBHM