smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(cccc2OCC[NH+]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1	ZINC000013643848	562998685	/nfs/dbraw/zinc/99/86/85/562998685.db2.gz	UNVYWLOYBPSPIR-UHFFFAOYSA-N	1	1	440.931	4.301	1	5		IIBFMO
C[C@@H]1CCC[N@H+]1CCc1cc2cc(CNc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2o1	ZINC000013674357	563000395	/nfs/dbraw/zinc/00/03/95/563000395.db2.gz	XUJDKFIEXNZSEL-CQSZACIVSA-N	1	1	425.445	4.283	1	5		IIBFMO
COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000040897001	563110555	/nfs/dbraw/zinc/11/05/55/563110555.db2.gz	RDEFCMFVCFFIFR-UHFFFAOYSA-N	1	1	429.864	4.429	1	5		IIBFMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000095576767	563186078	/nfs/dbraw/zinc/18/60/78/563186078.db2.gz	UEWFLTHFUANTRV-AWEZNQCLSA-N	1	1	432.527	4.259	1	5		IIBFMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000095576768	563186031	/nfs/dbraw/zinc/18/60/31/563186031.db2.gz	UEWFLTHFUANTRV-CQSZACIVSA-N	1	1	432.527	4.259	1	5		IIBFMO
C[NH+](C)CCOc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc32)c(F)c1	ZINC000073163821	563169589	/nfs/dbraw/zinc/16/95/89/563169589.db2.gz	OZZCHQRAYPMEEI-UHFFFAOYSA-N	1	1	443.486	4.391	1	5		IIBFMO
c1cc2c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc3ccc4ncccc4c3n2c1	ZINC000013762492	563005466	/nfs/dbraw/zinc/00/54/66/563005466.db2.gz	YVTHPCKJOKJJHA-UHFFFAOYSA-N	1	1	437.503	4.087	1	5		IIBFMO