smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2ccccc2c1C[N+](C)(C)C/C=C/c1ccccc1	ZINC000003118141	717095538	/nfs/dbraw/zinc/09/55/38/717095538.db2.gz	BRIZLTKAQJWMFR-FMIVXFBMSA-N	1	0	316.468	5.438	10	5		DKBERO
CC(C)(C)C1CCC(c2ccccc2)([N+]2(C)CCCCC2)CC1	ZINC000003619862	181042366	/nfs/dbraw/zinc/04/23/66/181042366.db2.gz	BNMQPVFTCQKMRO-UHFFFAOYSA-N	1	0	314.537	5.749	10	5		DKBERO
c1ccc([N+](c2ccccc2)(c2ccccc2)c2cccnc2)cc1	ZINC000005332033	717099259	/nfs/dbraw/zinc/09/92/59/717099259.db2.gz	VRZBYRVYMQTLPB-UHFFFAOYSA-N	1	0	323.419	6.384	10	5		DKBERO
C[N+](C)(C/C=C\c1ccccc1)Cc1cccc2ccccc21	ZINC000006130066	717104660	/nfs/dbraw/zinc/10/46/60/717104660.db2.gz	CUEGWWBJKWSEKE-XFXZXTDPSA-N	1	0	302.441	5.130	10	5		DKBERO
FC(F)(F)c1cc[n+](-c2ccccc2)c2ccc3ccccc3c21	ZINC000006242292	181321925	/nfs/dbraw/zinc/32/19/25/181321925.db2.gz	QYAWBCQOSANBBT-UHFFFAOYSA-N	1	0	324.325	5.289	10	5		DKBERO
CC[N+](CC)(CC)CCOc1ccc(/C=C\c2ccccc2)cc1	ZINC000007999083	717105962	/nfs/dbraw/zinc/10/59/62/717105962.db2.gz	YIMFXBPXUPTIEJ-SEYXRHQNSA-N	1	0	324.488	5.112	10	5		DKBERO
c1ccc([N+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	ZINC000034140518	717124102	/nfs/dbraw/zinc/12/41/02/717124102.db2.gz	CZMILNXHOAKSBR-UHFFFAOYSA-N	1	0	322.431	6.989	10	5		DKBERO
CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1	ZINC000036992190	340729409	/nfs/dbraw/zinc/72/94/09/340729409.db2.gz	JQPTYWTUZIBRDP-GWCFXTLKSA-N	1	0	324.833	5.112	10	5		DKBERO
CC[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1	ZINC000036992192	340729378	/nfs/dbraw/zinc/72/93/78/340729378.db2.gz	JQPTYWTUZIBRDP-MFKMUULPSA-N	1	0	324.833	5.112	10	5		DKBERO
CC1=C(C)[N+](C)(Cc2ccccc2)c2ccc3ccccc3c21	ZINC000049588587	183744627	/nfs/dbraw/zinc/74/46/27/183744627.db2.gz	IDRQVNHQOOHUTC-UHFFFAOYSA-N	1	0	300.425	5.742	10	5		DKBERO
C[N+](C)(CCSc1cc(Cl)ccc1Cl)C1CCCC1	ZINC000057939952	717131111	/nfs/dbraw/zinc/13/11/11/717131111.db2.gz	VNGQDWYUNMHVHJ-UHFFFAOYSA-N	1	0	319.321	5.105	10	5		DKBERO
Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-]	ZINC000089213523	332064880	/nfs/dbraw/zinc/06/48/80/332064880.db2.gz	AVXMDMCRHBJTAO-GHMZBOCLSA-N	1	0	324.833	5.030	10	5		DKBERO
Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-]	ZINC000089213524	332064709	/nfs/dbraw/zinc/06/47/09/332064709.db2.gz	AVXMDMCRHBJTAO-WDEREUQCSA-N	1	0	324.833	5.030	10	5		DKBERO
Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-]	ZINC000089216404	332064825	/nfs/dbraw/zinc/06/48/25/332064825.db2.gz	AVXMDMCRHBJTAO-MNOVXSKESA-N	1	0	324.833	5.030	10	5		DKBERO
Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-]	ZINC000089216407	332064785	/nfs/dbraw/zinc/06/47/85/332064785.db2.gz	AVXMDMCRHBJTAO-QWRGUYRKSA-N	1	0	324.833	5.030	10	5		DKBERO
C[N+](C)(Cc1ccc(Oc2ccccc2)c(F)c1)C1CCCC1	ZINC000135057917	717150984	/nfs/dbraw/zinc/15/09/84/717150984.db2.gz	TVHBKDPEDNISKC-UHFFFAOYSA-N	1	0	314.424	5.137	10	5		DKBERO
CCCCC[N+](CCCCC)(CCCCC)Cc1ccccc1	ZINC000140717350	717151769	/nfs/dbraw/zinc/15/17/69/717151769.db2.gz	VNHUAJSDMAVHFQ-UHFFFAOYSA-N	1	0	318.569	6.574	10	5		DKBERO
CCCC[N+](C)(CCCCCC(C)C)CCCCCC(C)C	ZINC000141735764	717152242	/nfs/dbraw/zinc/15/22/42/717152242.db2.gz	ZDMRNYKDBCRKOD-UHFFFAOYSA-N	1	0	312.606	6.666	10	5		DKBERO
CC[C@H]([NH2+][C@H](C)c1csc(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000191329088	340552911	/nfs/dbraw/zinc/55/29/11/340552911.db2.gz	CSAFNKWYECNZKN-YGRLFVJLSA-N	1	0	324.833	5.112	10	5		DKBERO