smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc(N[NH2+]C(C)=CC(=O)Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000012562094	520798425	/nfs/dbraw/zinc/79/84/25/520798425.db2.gz	LLDJOUSQCZZDRT-PXLXIMEGSA-N	1	2	447.517	3.442	10	30		IGEELO
O=C(/N=C1\[NH+]=C2C=CC=CN2Cc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000012524533	527661637	/nfs/dbraw/zinc/66/16/37/527661637.db2.gz	LIZGPZYSTJMLLZ-RWEWTDSWSA-N	1	2	443.463	3.316	10	30		IGEELO
CNc1nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)nc(C)[nH+]1	ZINC000167915141	557848163	/nfs/dbraw/zinc/84/81/63/557848163.db2.gz	LQHDJQIMETZMPH-ZBFHGGJFSA-N	1	2	447.465	3.399	10	30	in-vitro	IGEELO
CNc1nc(C)[nH+]c(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1	ZINC000167915141	557848166	/nfs/dbraw/zinc/84/81/66/557848166.db2.gz	LQHDJQIMETZMPH-ZBFHGGJFSA-N	1	2	447.465	3.399	10	30	in-vitro	IGEELO
C=CCN(CC=C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000020215654	556999510	/nfs/dbraw/zinc/99/95/10/556999510.db2.gz	CUHZQCQULXWCBR-CJLVFECKSA-N	1	2	443.529	3.470	10	30		IGEELO
COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(S(=O)(=O)c1cccc(Cl)c1)C2	ZINC000096309653	522828696	/nfs/dbraw/zinc/82/86/96/522828696.db2.gz	ZNXDVAGGLFSASR-NRFANRHFSA-N	1	2	448.976	3.446	10	30		IGEELO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)ccc2O1	ZINC000103864486	525514933	/nfs/dbraw/zinc/51/49/33/525514933.db2.gz	DIAXDLJRKHQXKY-USMXPZIVSA-N	1	2	444.491	3.114	10	30		IGEELO
O=C(/N=C1\[NH+]=C2C=CC=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012729248	527661857	/nfs/dbraw/zinc/66/18/57/527661857.db2.gz	BPGLFOBCTJGGAP-RWEWTDSWSA-N	1	2	446.532	3.356	10	30		IGEELO