smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1	ZINC000009373203	562955900	/nfs/dbraw/zinc/95/59/00/562955900.db2.gz	VRIOZICBQSUNJY-UHFFFAOYSA-N	-1	3	479.511	2.743	3	5		JFBFHM
COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[n-]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1	ZINC000029244710	563099426	/nfs/dbraw/zinc/09/94/26/563099426.db2.gz	AJUGMILYKYHZCC-UHFFFAOYSA-N	-1	3	488.451	2.547	1	5		JFBFHM
COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[n-]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1	ZINC000029247934	563099489	/nfs/dbraw/zinc/09/94/89/563099489.db2.gz	DGHNCDMWIFZJRY-UHFFFAOYSA-N	-1	3	488.451	2.547	1	5		JFBFHM
CO[C@H]1[C@H](O)[C@H]2[C@@H](O[C@@H]1CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O	ZINC000028764265	563078541	/nfs/dbraw/zinc/07/85/41/563078541.db2.gz	BYYXDBXURNZZRR-SFSUPHRBSA-N	-1	3	483.480	2.606	1	5		JFBFHM
Cc1cc(C)cc(S(=O)(=O)c2c3cc([N+](=O)[O-])ccc3[n-]c2C(=O)N[C@H](C)CC(N)=O)c1	ZINC000040394625	563138820	/nfs/dbraw/zinc/13/88/20/563138820.db2.gz	WTEMMOWSBJSVCE-CYBMUJFWSA-N	-1	3	458.496	2.519	1	5		JFBFHM
Cc1cc(C)cc(S(=O)(=O)c2c3cc([N+](=O)[O-])ccc3[n-]c2C(=O)N[C@@H](C)CC(N)=O)c1	ZINC000040394624	563138782	/nfs/dbraw/zinc/13/87/82/563138782.db2.gz	WTEMMOWSBJSVCE-ZDUSSCGKSA-N	-1	3	458.496	2.519	1	5		JFBFHM
Cc1noc(C2CCN(c3ncnc([N-]c4ccc(S(C)(=O)=O)cc4)c3[N+](=O)[O-])CC2)n1	ZINC000040845311	563149194	/nfs/dbraw/zinc/14/91/94/563149194.db2.gz	JEUPGLYFAZECGZ-UHFFFAOYSA-N	-1	3	459.488	2.607	1	5		JFBFHM
COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[n-]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1	ZINC000029245999	563099422	/nfs/dbraw/zinc/09/94/22/563099422.db2.gz	WQTWZWJOKSFBJG-UHFFFAOYSA-N	-1	3	488.451	2.547	1	5		JFBFHM