smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCCO	ZINC000102802042	351785226	/nfs/dbraw/zinc/78/52/26/351785226.db2.gz	BGVOZNWSPULNTC-CSKARUKUSA-N	0	2	275.264	-0.265	50	10		CBCALN
Cc1ncc(CO)c(C=C2C(=O)NC(=O)NC2=O)c1O	ZINC000003122199	169857975	/nfs/dbraw/zinc/85/79/75/169857975.db2.gz	RNCDLEWKBITJNY-UHFFFAOYSA-N	0	2	277.236	-0.663	50	10		CBCALN
NC(=O)c1nc[nH]c1N=NSC[C@@H]([NH3+])C(=O)[O-]	ZINC000005605513	170118898	/nfs/dbraw/zinc/11/88/98/170118898.db2.gz	OZJYOELRWINQGB-HNQHWHHVSA-N	0	2	258.263	-0.348	50	10		CBCALN
O=c1[nH]c(=S)[nH]c(O)c1C=C1C(=O)NC(=S)NC1=O	ZINC000004336896	169959094	/nfs/dbraw/zinc/95/90/94/169959094.db2.gz	SOQLMJSKXNRTOX-UHFFFAOYSA-N	0	2	298.305	-0.107	50	10		CBCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNn1cnnc1	ZINC000110283820	419481380	/nfs/dbraw/zinc/48/13/80/419481380.db2.gz	XVQUAXFSIPUOPS-UXBLZVDNSA-N	0	2	298.262	-0.012	50	10		CBCALN
CNC(=O)c1nc[nH]c1/N=N/SC[C@H]([NH3+])C(=O)[O-]	ZINC000003766711	351314715	/nfs/dbraw/zinc/31/47/15/351314715.db2.gz	GVBKNFBGDSCZLE-CJIUCSANSA-N	0	2	272.290	-0.087	50	10		CBCALN
CN(C)N=Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O	ZINC000100012150	372778263	/nfs/dbraw/zinc/77/82/63/372778263.db2.gz	XSMQMOYXSNWSHW-OUKQBFOZSA-N	0	2	251.250	-0.479	50	10		CBCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCCO	ZINC000002832183	351311640	/nfs/dbraw/zinc/31/16/40/351311640.db2.gz	BGVOZNWSPULNTC-NTMALXAHSA-N	0	2	275.264	-0.265	50	10		CBCALN
NC(=O)c1nc[nH]c1N=NSC[C@H]([NH3+])C(=O)[O-]	ZINC000005605512	170119023	/nfs/dbraw/zinc/11/90/23/170119023.db2.gz	OZJYOELRWINQGB-GQCOOFHSSA-N	0	2	258.263	-0.348	50	10		CBCALN
O=C1NC(=O)C(=CNCCCn2ccnc2)C(=O)N1	ZINC000006447027	170202148	/nfs/dbraw/zinc/20/21/48/170202148.db2.gz	HOZKMTQXGBGNSX-UHFFFAOYSA-N	0	2	263.257	-0.887	50	10		CBCALN
CNC(=O)c1nc[nH]c1/N=N/SC[C@@H]([NH3+])C(=O)[O-]	ZINC000016949352	351344943	/nfs/dbraw/zinc/34/49/43/351344943.db2.gz	GVBKNFBGDSCZLE-GVPQNZMTSA-N	0	2	272.290	-0.087	50	10		CBCALN