smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])NNC(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000832748620	605191263	/nfs/dbraw/zinc/19/12/63/605191263.db2.gz	NVMWVAJKVWCFKK-ZCFIWIBFSA-N	-1	1	239.235	0.269	20	50		BCGDMM
Cc1cc(C[C@H](C)NC(=O)NNC(=O)[O-])n[nH]1	ZINC000830035923	605699410	/nfs/dbraw/zinc/69/94/10/605699410.db2.gz	HCRSFWSPRBBERN-YFKPBYRVSA-N	-1	1	241.251	0.131	20	50		BCGDMM
O=C([O-])NN=Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000832744281	603496219	/nfs/dbraw/zinc/49/62/19/603496219.db2.gz	ITQSFGUNLMYTBM-UHFFFAOYSA-N	-1	1	225.160	0.902	20	50		BCGDMM
Cc1cc(C[C@@H](C)NC(=O)NNC(=O)[O-])n[nH]1	ZINC000830035921	605699525	/nfs/dbraw/zinc/69/95/25/605699525.db2.gz	HCRSFWSPRBBERN-RXMQYKEDSA-N	-1	1	241.251	0.131	20	50		BCGDMM
O=C([O-])NNC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000834252084	605773884	/nfs/dbraw/zinc/77/38/84/605773884.db2.gz	YJUOWJAWLVMIRE-UHFFFAOYSA-N	-1	1	241.159	0.213	20	50		BCGDMM
O=C([O-])NNC(=O)c1ccc(F)cc1O	ZINC000834251459	605830616	/nfs/dbraw/zinc/83/06/16/605830616.db2.gz	PKQWZUTWJATEKR-UHFFFAOYSA-N	-1	1	214.152	0.444	20	50		BCGDMM
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[O-]	ZINC000825873539	603627422	/nfs/dbraw/zinc/62/74/22/603627422.db2.gz	URLFUGPHBXMESM-RNFRBKRXSA-N	-1	1	215.253	0.158	20	50		BCGDMM
O=C([O-])NNC(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000832748619	605191305	/nfs/dbraw/zinc/19/13/05/605191305.db2.gz	NVMWVAJKVWCFKK-LURJTMIESA-N	-1	1	239.235	0.269	20	50		BCGDMM
CN(C)Cc1ccsc1C(=O)NNC(=O)[O-]	ZINC000828046557	603528505	/nfs/dbraw/zinc/52/85/05/603528505.db2.gz	OPZUDQURUPFXOP-UHFFFAOYSA-N	-1	1	243.288	0.722	20	50		BCGDMM
Cc1noc(C2CC2)c1C(=O)NNC(=O)[O-]	ZINC000833931371	605597870	/nfs/dbraw/zinc/59/78/70/605597870.db2.gz	AKTUKKFOHGPKJR-UHFFFAOYSA-N	-1	1	225.204	0.773	20	50		BCGDMM
O=C([O-])NNC(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000832745423	603936356	/nfs/dbraw/zinc/93/63/56/603936356.db2.gz	WKNKHJRWHHFRLY-RXMQYKEDSA-N	-1	1	224.220	0.128	20	50		BCGDMM
O=C([O-])NNC(=O)[C@H]1CCCc2[nH]ncc21	ZINC000832745426	603936403	/nfs/dbraw/zinc/93/64/03/603936403.db2.gz	WKNKHJRWHHFRLY-YFKPBYRVSA-N	-1	1	224.220	0.128	20	50		BCGDMM
O=C([O-])NNC(=O)c1scnc1C1CC1	ZINC000834251743	605573781	/nfs/dbraw/zinc/57/37/81/605573781.db2.gz	RKGKVVMIUSUKRY-UHFFFAOYSA-N	-1	1	227.245	0.933	20	50		BCGDMM
C[C@@H]1CC[C@H](C)N1CC(=O)NNC(=O)[O-]	ZINC000825873538	603627354	/nfs/dbraw/zinc/62/73/54/603627354.db2.gz	URLFUGPHBXMESM-KNVOCYPGSA-N	-1	1	215.253	0.158	20	50		BCGDMM
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)[O-]	ZINC000825873536	603627667	/nfs/dbraw/zinc/62/76/67/603627667.db2.gz	URLFUGPHBXMESM-BQBZGAKWSA-N	-1	1	215.253	0.158	20	50		BCGDMM
CCNc1nc(C(=O)NNC(=O)[O-])cs1	ZINC000827274430	605525083	/nfs/dbraw/zinc/52/50/83/605525083.db2.gz	GMZSIDFWYQERES-UHFFFAOYSA-N	-1	1	230.249	0.487	20	50		BCGDMM