smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N=C(N)O	26481651	168291238	/nfs/dbraw/zinc/29/12/38/168291238.db2.gz	BLPITTLHXKDNPJ-UHFFFAOYSA-N	0	2	138.148	-1.181	50	30		AAEALN
CS(=O)(=O)[N-]C(=O)C[NH3+]	34211581	168292069	/nfs/dbraw/zinc/29/20/69/168292069.db2.gz	JHHMBLLZSIOSSU-UHFFFAOYSA-N	0	2	152.175	-1.139	50	30		AAEALN
N/C(=N\O)c1nonc1N	95845644	169132985	/nfs/dbraw/zinc/13/29/85/169132985.db2.gz	DNFUTAVRGAVUKE-UHFFFAOYSA-N	0	2	143.106	-1.254	50	30	in-vitro	AAEALN
N/N=C(\N)c1nonc1/C(N)=N/O	6657992	169135070	/nfs/dbraw/zinc/13/50/70/169135070.db2.gz	ACHCMRLDVTXWSR-UHFFFAOYSA-N	0	2	185.147	-2.257	50	30		AAEALN
NC(N)=NC(=O)c1cnccn1	6119119	169167435	/nfs/dbraw/zinc/16/74/35/169167435.db2.gz	WNBSDCKJFDZMHT-UHFFFAOYSA-N	0	2	165.156	-1.110	50	30		AAEALN
NC(=[NH2+])N[C@H](CS)C(=O)[O-]	34315770	169167458	/nfs/dbraw/zinc/16/74/58/169167458.db2.gz	XWRZKLKALVJDDS-UWTATZPHSA-N	0	2	163.202	-1.357	50	30		AAEALN
NC(N)=C1C(=O)COC1=O	49478747	169167595	/nfs/dbraw/zinc/16/75/95/169167595.db2.gz	AUQGGYZRTLGLKQ-UHFFFAOYSA-N	0	2	142.114	-1.759	50	30		AAEALN
NC(N)=NC=O	5178397	169167775	/nfs/dbraw/zinc/16/77/75/169167775.db2.gz	XEBPBJPZBUSUEO-UHFFFAOYSA-N	0	2	87.082	-1.584	50	30		AAEALN
NC(N)=N[N+](=O)[O-]	59939928	169167994	/nfs/dbraw/zinc/16/79/94/169167994.db2.gz	IDCPFAYURAQKDZ-UHFFFAOYSA-N	0	2	104.069	-1.549	50	30	in-vitro	AAEALN
O=c1[nH]c(=O)n(CCS)c(=O)[nH]1	32158350	325598380	/nfs/dbraw/zinc/59/83/80/325598380.db2.gz	LSUQRWQGUVIUMU-UHFFFAOYSA-N	0	2	189.196	-1.845	50	30		AAEALN
OCC(CO)=NO	15115331	351377698	/nfs/dbraw/zinc/37/76/98/351377698.db2.gz	SESFQRDUAZRWAW-UHFFFAOYSA-N	0	2	105.093	-1.199	50	30	in-vitro	AAEALN