smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1nn[n-]n1)OCCl	709792455	1441658419	/nfs/dbraw/zinc/65/84/19/1441658419.db2.gz	LJJVPNITUCEQKE-UHFFFAOYSA-N	-1	0	177.551	-0.056	10	50		ABGERM
C[C@H](Cl)n1[n-]nnc1=O	140245382	1443917853	/nfs/dbraw/zinc/91/78/53/1443917853.db2.gz	KRLXWTBDVBUAPF-UWTATZPHSA-N	-1	0	148.553	-0.276	10	50		ABGERM
CN(Cc1nn[n-]n1)C(=O)CCl	706748826	1446218655	/nfs/dbraw/zinc/21/86/55/1446218655.db2.gz	GDIGUSIQUYVMKS-UHFFFAOYSA-N	-1	0	189.606	-0.603	10	50		ABGERM
C[C@@H](Cl)n1[n-]nnc1=O	140245517	1446452195	/nfs/dbraw/zinc/45/21/95/1446452195.db2.gz	KRLXWTBDVBUAPF-REOHCLBHSA-N	-1	0	148.553	-0.276	10	50		ABGERM
O=C(NCCCl)Nc1nn[n-]n1	33639090	1423360020	/nfs/dbraw/zinc/36/00/20/1423360020.db2.gz	ZSZMIWBEVPLYTC-UHFFFAOYSA-N	-1	0	190.594	-0.440	10	50		ABGERM
CNC(SC)=C(C#N)c1nnn[n-]1	307266649	1423465194	/nfs/dbraw/zinc/46/51/94/1423465194.db2.gz	GVNGPXWESMUCRF-GQCTYLIASA-N	-1	0	196.239	-0.026	10	50		ABGERM
S=C=NCc1nn[n-]n1	44931064	1423659246	/nfs/dbraw/zinc/65/92/46/1423659246.db2.gz	AQPVCHUBLSNASI-UHFFFAOYSA-N	-1	0	141.159	-0.198	10	50		ABGERM
CC(N)=C(C#N)c1nnn[n-]1	75538684	1423689097	/nfs/dbraw/zinc/68/90/97/1423689097.db2.gz	VRNSMPFGINCBOV-ONEGZZNKSA-N	-1	0	150.145	-0.587	10	50		ABGERM
C[C@@H](Cl)C(=O)NCc1nn[n-]n1	44931105	1423753765	/nfs/dbraw/zinc/75/37/65/1423753765.db2.gz	GEWXETOZONOFLI-GSVOUGTGSA-N	-1	0	189.606	-0.557	10	50		ABGERM
C[C@H](Cl)C(=O)NCc1nn[n-]n1	44931104	1423791081	/nfs/dbraw/zinc/79/10/81/1423791081.db2.gz	GEWXETOZONOFLI-VKHMYHEASA-N	-1	0	189.606	-0.557	10	50		ABGERM
C[C@@H](NC(=O)CCl)c1nn[n-]n1	44931081	1423804922	/nfs/dbraw/zinc/80/49/22/1423804922.db2.gz	VQAJOYZIKDJFIS-GSVOUGTGSA-N	-1	0	189.606	-0.384	10	50		ABGERM
C[C@H](NC(=O)CCl)c1nn[n-]n1	44931080	1424031180	/nfs/dbraw/zinc/03/11/80/1424031180.db2.gz	VQAJOYZIKDJFIS-VKHMYHEASA-N	-1	0	189.606	-0.384	10	50		ABGERM
CC(C)[C@@H](N=C=O)C(=O)c1nnn[n-]1	238792114	1424118507	/nfs/dbraw/zinc/11/85/07/1424118507.db2.gz	YDHINSIMLKHJSB-RXMQYKEDSA-N	-1	0	195.182	-0.257	10	50		ABGERM
O=C(CCCl)NCc1nn[n-]n1	44931103	1424231629	/nfs/dbraw/zinc/23/16/29/1424231629.db2.gz	JWICGJWKYAYZAD-UHFFFAOYSA-N	-1	0	189.606	-0.555	10	50		ABGERM
O=c1[n-]nnn1CCCCl	104687565	1424468903	/nfs/dbraw/zinc/46/89/03/1424468903.db2.gz	GQXVVVVXNYQOLH-UHFFFAOYSA-N	-1	0	162.580	-0.405	10	50		ABGERM
O=C(CCl)NCCc1nn[n-]n1	39435625	1424509981	/nfs/dbraw/zinc/50/99/81/1424509981.db2.gz	CYNKALVYDROYJU-UHFFFAOYSA-N	-1	0	189.606	-0.903	10	50		ABGERM
O=c1[n-]nnn1CCl	104687299	1424603975	/nfs/dbraw/zinc/60/39/75/1424603975.db2.gz	KUZMKUNYFPGANT-UHFFFAOYSA-N	-1	0	134.526	-0.837	10	50		ABGERM
S=C=NCCc1nn[n-]n1	306404159	1424664709	/nfs/dbraw/zinc/66/47/09/1424664709.db2.gz	VGXLVZOASQXOQK-UHFFFAOYSA-N	-1	0	155.186	-0.155	10	50		ABGERM
CNC(SC)=C(C#N)c1nnn[n-]1	306967673	1424674559	/nfs/dbraw/zinc/67/45/59/1424674559.db2.gz	GVNGPXWESMUCRF-XQRVVYSFSA-N	-1	0	196.239	-0.026	10	50		ABGERM
CC(C)[C@H](N=C=O)C(=O)c1nnn[n-]1	238191169	1424756956	/nfs/dbraw/zinc/75/69/56/1424756956.db2.gz	YDHINSIMLKHJSB-YFKPBYRVSA-N	-1	0	195.182	-0.257	10	50		ABGERM
O=C(CCCl)Nc1nn[n-]n1	5975469	1424987847	/nfs/dbraw/zinc/98/78/47/1424987847.db2.gz	ZBORQFMARBBGOX-UHFFFAOYSA-N	-1	0	175.579	-0.233	10	50		ABGERM
O=C(NCc1nn[n-]n1)OCCl	692834350	1429869565	/nfs/dbraw/zinc/86/95/65/1429869565.db2.gz	PUIRZCDPHKVMMZ-UHFFFAOYSA-N	-1	0	191.578	-0.378	10	50		ABGERM