smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1C[C@H](C(=O)Nc2cccc(Cl)c2)OC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000306135741	569286669	/nfs/dbraw/zinc/28/66/69/569286669.db2.gz	OZMXJXPLCPYNBG-JOCHJYFZSA-N	2	1	438.959	3.516	40	30		IHEBMP
C[N@H+]1C[C@H](C(=O)Nc2cccc(Cl)c2)OC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000306135741	569286670	/nfs/dbraw/zinc/28/66/70/569286670.db2.gz	OZMXJXPLCPYNBG-JOCHJYFZSA-N	2	1	438.959	3.516	40	30		IHEBMP
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000008790389	556846704	/nfs/dbraw/zinc/84/67/04/556846704.db2.gz	JVWNUKZYBNZUFV-XXCXBFEJSA-N	2	1	438.612	3.768	40	30		IHEBMP
C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000012883192	525347435	/nfs/dbraw/zinc/34/74/35/525347435.db2.gz	JVWNUKZYBNZUFV-NSWATTKLSA-N	2	1	438.612	3.768	40	30		IHEBMP
O/N=C(/c1ccccc1)c1cc[n+](CCC[n+]2ccc(/C(=N\O)c3ccccc3)cc2)cc1	ZINC000016450733	556609550	/nfs/dbraw/zinc/60/95/50/556609550.db2.gz	OGMRVWLJHBLPGS-UHFFFAOYSA-P	2	1	438.531	3.805	40	30		IHEBMP
C[N@@H+]1C[C@@H](C(=O)Nc2cccc(Cl)c2)OC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000306135742	569286691	/nfs/dbraw/zinc/28/66/91/569286691.db2.gz	OZMXJXPLCPYNBG-QFIPXVFZSA-N	2	1	438.959	3.516	40	30		IHEBMP
C[N@H+]1C[C@@H](C(=O)Nc2cccc(Cl)c2)OC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000306135742	569286693	/nfs/dbraw/zinc/28/66/93/569286693.db2.gz	OZMXJXPLCPYNBG-QFIPXVFZSA-N	2	1	438.959	3.516	40	30		IHEBMP