smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@](=O)C(C)(C)/C=N/[O-]	33842595	573798260	/nfs/dbraw/zinc/79/82/60/573798260.db2.gz	MREKWRXNZRZCQH-DNQSNQRASA-N	-1	3	149.215	0.604	1	30		ACEFHM
CC=Nc1ccnc(=O)[n-]1	84711568	166069996	/nfs/dbraw/zinc/06/99/96/166069996.db2.gz	QSJNRTCJVPCSHR-FARCUNLSSA-N	-1	3	137.142	0.492	1	30		ACEFHM
C=C1c2c(nc[n-]c2=O)OC1(C)C	103252078	166151100	/nfs/dbraw/zinc/15/11/00/166151100.db2.gz	XLRAEFLRSLUQND-UHFFFAOYSA-N	-1	3	178.191	0.954	1	30		ACEFHM
Cn1cc(C=O)cc1CCC(=O)N[O-]	42966755	169038141	/nfs/dbraw/zinc/03/81/41/169038141.db2.gz	ZYSKNBDBUVLOJJ-UHFFFAOYSA-N	-1	3	196.206	0.276	1	30		ACEFHM
[O-]/N=C/c1ncccc1C1OCCO1	5811468	169314275	/nfs/dbraw/zinc/31/42/75/169314275.db2.gz	ABUPZXMWHMPKOA-IZZDOVSWSA-N	-1	3	194.190	0.935	1	30		ACEFHM
O=C(CNOCc1ccccc1)N[O-]	28647462	169320003	/nfs/dbraw/zinc/32/00/03/169320003.db2.gz	PMVJGZGFFBJYLQ-UHFFFAOYSA-N	-1	3	196.206	0.213	1	30	in-vivo	ACEFHM
O=C(N[O-])[C@@H]1C[C@@H]2C=C[C@H]1C2	13152677	169330326	/nfs/dbraw/zinc/33/03/26/169330326.db2.gz	IJKQNYVVENYLEA-DSYKOEDSSA-N	-1	3	153.181	0.704	1	30		ACEFHM
O=C(N[O-])[C@@H]1C[C@H]2C=C[C@@H]1C2	4001730	169330536	/nfs/dbraw/zinc/33/05/36/169330536.db2.gz	IJKQNYVVENYLEA-RRKCRQDMSA-N	-1	3	153.181	0.704	1	30		ACEFHM
O=C(N[O-])[C@H]1C[C@@H]2C=C[C@H]1C2	6576746	169331012	/nfs/dbraw/zinc/33/10/12/169331012.db2.gz	IJKQNYVVENYLEA-VQVTYTSYSA-N	-1	3	153.181	0.704	1	30		ACEFHM
O=C(N[O-])[C@H]1C[C@H]2C=C[C@@H]1C2	4001729	169331377	/nfs/dbraw/zinc/33/13/77/169331377.db2.gz	IJKQNYVVENYLEA-XVMARJQXSA-N	-1	3	153.181	0.704	1	30		ACEFHM
O=C([O-])CC[n+]1cccc(/C=N/[O-])c1	45302784	169339456	/nfs/dbraw/zinc/33/94/56/169339456.db2.gz	ITZPACRJRZVNPM-UXBLZVDNSA-O	-1	3	195.198	0.257	1	30		ACEFHM
O=C1C=CC(=O)c2c1nc[n-]c2=O	29222522	169366775	/nfs/dbraw/zinc/36/67/75/169366775.db2.gz	TXILEUYNMYGOLO-UHFFFAOYSA-N	-1	3	176.131	0.117	1	30		ACEFHM
O=C1C[C@@H]2[C@@H](C=CC23CC3)N1[O-]	5496938	169381472	/nfs/dbraw/zinc/38/14/72/169381472.db2.gz	VJRHPGBNZIBWPQ-RNFRBKRXSA-N	-1	3	165.192	0.943	1	30		ACEFHM