smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC#CCN1CC[N@H+](CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000091847606	193116685	/nfs/dbraw/zinc/11/66/85/193116685.db2.gz	MNRCPVYTDSZABH-QWHCGFSZSA-N	0	2	314.407	-0.342	50	30		DBEALN
CCC#CCN1CC[N@@H+](CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000091847606	193116687	/nfs/dbraw/zinc/11/66/87/193116687.db2.gz	MNRCPVYTDSZABH-QWHCGFSZSA-N	0	2	314.407	-0.342	50	30		DBEALN
NS(=O)(=O)c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000002423849	374279064	/nfs/dbraw/zinc/27/90/64/374279064.db2.gz	WHAXHCODJXBILH-UHFFFAOYSA-N	0	2	311.279	-0.692	50	30		DBEALN
CC(=O)C(=N[N-]c1[nH+]c[nH]c1C(=O)N1CCOCC1)C(C)=O	ZINC000005799103	181284909	/nfs/dbraw/zinc/28/49/09/181284909.db2.gz	KLCIXEZTGFSNQG-UHFFFAOYSA-N	0	2	307.310	-0.172	50	30		DBEALN
COC1(OC)C(=N/O)/C(=N\O)C(OC)(OC)C(=N/O)/C1=N\O	ZINC000100506795	392397273	/nfs/dbraw/zinc/39/72/73/392397273.db2.gz	RLGRWXFXHSKZOR-JRXATRHQSA-N	0	2	320.258	-0.701	50	30		DBEALN
CCOC(=O)c1cccc(NN=C2C(=O)NC(=O)NC2=O)c1	ZINC000012346008	376625754	/nfs/dbraw/zinc/62/57/54/376625754.db2.gz	PQJZHEPDIRTEDM-UHFFFAOYSA-N	0	2	304.262	-0.003	50	30		DBEALN
COC(=O)CC1SC(=Nc2nc[nH]c2C(N)=O)N(C)C1=O	ZINC000004817905	181156014	/nfs/dbraw/zinc/15/60/14/181156014.db2.gz	YHMLSEKVRCJJDS-XVUGWODFSA-N	0	2	311.323	-0.367	50	30		DBEALN
COCCn1nc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1=O	ZINC000026270235	264279732	/nfs/dbraw/zinc/27/97/32/264279732.db2.gz	ITTZXNPCACYXNB-UHFFFAOYSA-N	0	2	313.277	-0.392	50	30		DBEALN
CC(=O)N(C)c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000004179726	181082258	/nfs/dbraw/zinc/08/22/58/181082258.db2.gz	YDSXFDPEABXCEC-UHFFFAOYSA-N	0	2	303.278	-0.197	50	30		DBEALN
CCC#CCN1CC[N@H+](CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077378761	378307991	/nfs/dbraw/zinc/30/79/91/378307991.db2.gz	UZWFBFMJAGRLMV-NWDGAFQWSA-N	0	2	300.380	-0.732	50	30		DBEALN
CCC#CCN1CC[N@@H+](CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077378761	378307997	/nfs/dbraw/zinc/30/79/97/378307997.db2.gz	UZWFBFMJAGRLMV-NWDGAFQWSA-N	0	2	300.380	-0.732	50	30		DBEALN
COC(=O)CC1SC(=Nc2nc[nH]c2C(N)=O)N(C)C1=O	ZINC000004817904	181156183	/nfs/dbraw/zinc/15/61/83/181156183.db2.gz	YHMLSEKVRCJJDS-ITMWLGFASA-N	0	2	311.323	-0.367	50	30		DBEALN
CCOC(=O)c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000005334037	181231131	/nfs/dbraw/zinc/23/11/31/181231131.db2.gz	GTEWQMZLQVWHBT-UHFFFAOYSA-N	0	2	304.262	-0.003	50	30		DBEALN
C=CC[C@@]1(CO)CCCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C1	ZINC000091952177	193130598	/nfs/dbraw/zinc/13/05/98/193130598.db2.gz	NPKNSRZEDJBBLC-OAHLLOKOSA-N	0	2	307.350	-0.217	50	30		DBEALN
COC1(OC)C(=N/O)/C(=N/O)C(OC)(OC)C(=N/O)/C1=N/O	ZINC000100342039	374886580	/nfs/dbraw/zinc/88/65/80/374886580.db2.gz	RLGRWXFXHSKZOR-NJLPBCHISA-N	0	2	320.258	-0.701	50	30		DBEALN
C=CC[C@]1(CO)CCCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C1	ZINC000091952175	193131063	/nfs/dbraw/zinc/13/10/63/193131063.db2.gz	NPKNSRZEDJBBLC-HNNXBMFYSA-N	0	2	307.350	-0.217	50	30		DBEALN
O=C1NC(=O)C(=NN=c2[nH]onc2-c2ccccc2)C(=O)N1	ZINC000005004682	181188825	/nfs/dbraw/zinc/18/88/25/181188825.db2.gz	PXVOPMHSZVPHCF-UHFFFAOYSA-N	0	2	300.234	-0.130	50	30		DBEALN
CCOC(=O)c1ccccc1NN=C1C(=O)NC(=O)NC1=O	ZINC000018191798	392780614	/nfs/dbraw/zinc/78/06/14/392780614.db2.gz	LGLNNUMPGRNKDC-UHFFFAOYSA-N	0	2	304.262	-0.003	50	30		DBEALN