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[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000001532601	383902120	/nfs/dbraw/zinc/90/21/20/383902120.db2.gz	NGHMDNPXVRFFGS-QWWZWVQMSA-N	-2	0	200.083	-1.984	40	30	in-vitro	BAEBRL
O=C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000003869426	388588456	/nfs/dbraw/zinc/58/84/56/388588456.db2.gz	PPQRONHOSHZGFQ-MROZADKFSA-N	-2	0	230.109	-2.623	40	30	in-vitro	BAEBRL
N#CC(=N[N-]c1nc(C#N)c(C#N)[n-]1)C(N)=O	ZINC000016956785	181025406	/nfs/dbraw/zinc/02/54/06/181025406.db2.gz	FUBVVQSHRDZDBW-GIDUJCDVSA-N	-2	0	228.175	-1.070	40	30		BAEBRL
O=C([O-])C(C=C1N=C([O-])CC(=O)N1)=NO	ZINC000017376414	409666950	/nfs/dbraw/zinc/66/69/50/409666950.db2.gz	IMBLJXFCGAIPFY-XCVCLJGOSA-N	-2	0	213.149	-1.067	40	30		BAEBRL
[O-]N=C1c2n[nH]nc2C(=N[O-])c2n[nH]nc21	ZINC000100023235	384611052	/nfs/dbraw/zinc/61/10/52/384611052.db2.gz	KRTJKVHMWYZRSR-CBIKUMSCSA-N	-2	0	220.152	-1.311	40	30		BAEBRL
C#CC[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)[O-]	ZINC000127634755	411498992	/nfs/dbraw/zinc/49/89/92/411498992.db2.gz	WIHFMPVINVRCJZ-RITPCOANSA-N	-2	0	228.204	-1.619	40	30		BAEBRL
C#CC[C@@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)[O-]	ZINC000127634920	411499069	/nfs/dbraw/zinc/49/90/69/411499069.db2.gz	WIHFMPVINVRCJZ-PHDIDXHHSA-N	-2	0	228.204	-1.619	40	30		BAEBRL
C#CC[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)[O-]	ZINC000127635164	411499271	/nfs/dbraw/zinc/49/92/71/411499271.db2.gz	WIHFMPVINVRCJZ-NTSWFWBYSA-N	-2	0	228.204	-1.619	40	30		BAEBRL
N#Cc1cn([C@H](CO)C(=O)[O-])c(=O)[n-]c1=O	ZINC000380511176	384653083	/nfs/dbraw/zinc/65/30/83/384653083.db2.gz	NLOASVDTNICKIO-RXMQYKEDSA-N	-2	0	225.160	-1.561	40	30		BAEBRL
N#Cc1cn([C@@H](CO)C(=O)[O-])c(=O)[n-]c1=O	ZINC000380511177	259550475	/nfs/dbraw/zinc/55/04/75/259550475.db2.gz	NLOASVDTNICKIO-YFKPBYRVSA-N	-2	0	225.160	-1.561	40	30		BAEBRL