smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=S)NN=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000004933698	372772833	/nfs/dbraw/zinc/77/28/33/372772833.db2.gz	FBWFEAASMKCBCW-SGAXSIHGSA-N	0	1	286.273	-1.476	40	30		CAEBMN
O=C1N(O)c2ncccc2O[C@]12OC[C@@H](O)[C@@H](O)[C@@H]2O	ZINC000016431590	296352928	/nfs/dbraw/zinc/35/29/28/296352928.db2.gz	ILXUGCJCDWUGLC-GIDNPQMSSA-N	0	1	284.224	-1.995	40	30		CAEBMN
NC(=S)NN=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000004921681	170041022	/nfs/dbraw/zinc/04/10/22/170041022.db2.gz	ZJIXYSXDSURNRQ-OQYWKCLKSA-N	0	1	272.246	-1.736	40	30		CAEBMN
CS(=O)(=O)OCCNCCOS(C)(=O)=O	ZINC000095794000	185027883	/nfs/dbraw/zinc/02/78/83/185027883.db2.gz	XGJRKCHXLMZIIU-UHFFFAOYSA-N	0	1	261.321	-1.472	40	30		CAEBMN
NC(=S)NN=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000017013829	372794541	/nfs/dbraw/zinc/79/45/41/372794541.db2.gz	ZJIXYSXDSURNRQ-XLUWADSXSA-N	0	1	272.246	-1.324	40	30		CAEBMN
Cc1no[nH]c1=NN=C1C(=O)NC(=S)NC1=O	ZINC000006025145	409322416	/nfs/dbraw/zinc/32/24/16/409322416.db2.gz	INHHNXWITKGFHQ-UHFFFAOYSA-N	0	1	254.231	-1.323	40	30		CAEBMN
NC(=S)NNC1=C(O)[C@@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000005412995	295005850	/nfs/dbraw/zinc/00/58/50/295005850.db2.gz	WWBGVZDQWXDZLA-VJTZZWJDSA-N	0	1	251.264	-3.595	40	30		CAEBMN
CNC(=S)NN=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000017013953	283494227	/nfs/dbraw/zinc/49/42/27/283494227.db2.gz	FBWFEAASMKCBCW-WTDSWWLTSA-N	0	1	286.273	-1.063	40	30		CAEBMN
CN(C)CCNC(=O)c1cncc(C(=O)N=C(N)N)c1	ZINC000242574928	409544370	/nfs/dbraw/zinc/54/43/70/409544370.db2.gz	NJWJVFJEUMBSJL-UHFFFAOYSA-N	0	1	278.316	-1.213	40	30		CAEBMN
NC(=S)NNC1[C@H](O)C(=O)C(O)[C@@H](O)[C@H]1O	ZINC000004353254	295200169	/nfs/dbraw/zinc/20/01/69/295200169.db2.gz	WWBGVZDQWXDZLA-HOWGCPQDSA-N	0	1	251.264	-4.006	40	30		CAEBMN