smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](Cc1ccc(O)c(O)c1)[P@@](=O)([O-])O	ZINC000006511354	346651385	/nfs/dbraw/zinc/65/13/85/346651385.db2.gz	IKXXVDZMRIWEMJ-QMMMGPOBSA-N	0	2	233.160	0.103	40	10		BCCBLN
[NH3+][C@H](Cc1ccc(O)c(O)c1)[P@](=O)([O-])O	ZINC000006511354	346651386	/nfs/dbraw/zinc/65/13/86/346651386.db2.gz	IKXXVDZMRIWEMJ-QMMMGPOBSA-N	0	2	233.160	0.103	40	10		BCCBLN
[NH3+][C@H](C(=O)[O-])c1cc([N+](=O)[O-])ccc1O	ZINC000072196192	384454765	/nfs/dbraw/zinc/45/47/65/384454765.db2.gz	YRLZJCIXJOQMHJ-ZETCQYMHSA-N	0	2	212.161	0.385	40	10		BCCBLN
O=C1NC(=S)SC1=Cc1cn[nH]n1	ZINC000008627627	491087211	/nfs/dbraw/zinc/08/72/11/491087211.db2.gz	SBSHSBXHBJYVHR-DAFODLJHSA-N	0	2	212.259	0.294	40	10		BCCBLN
COc1cc([C@@H]([NH3+])C(=O)[O-])c(O)c([N+](=O)[O-])c1	ZINC000199809434	175014669	/nfs/dbraw/zinc/01/46/69/175014669.db2.gz	OTUANRBAUNWADZ-SSDOTTSWSA-N	0	2	242.187	0.393	40	10		BCCBLN
[NH3+][C@@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1O	ZINC000044196813	363185282	/nfs/dbraw/zinc/18/52/82/363185282.db2.gz	IJKSMKKCCLPWNS-ZETCQYMHSA-N	0	2	226.188	0.775	40	10		BCCBLN
[NH3+][C@@H](Cc1ccc(O)c(O)c1)[P@@](=O)([O-])O	ZINC000001643259	346461344	/nfs/dbraw/zinc/46/13/44/346461344.db2.gz	IKXXVDZMRIWEMJ-MRVPVSSYSA-N	0	2	233.160	0.103	40	10		BCCBLN
[NH3+][C@@H](Cc1ccc(O)c(O)c1)[P@](=O)([O-])O	ZINC000001643259	346461346	/nfs/dbraw/zinc/46/13/46/346461346.db2.gz	IKXXVDZMRIWEMJ-MRVPVSSYSA-N	0	2	233.160	0.103	40	10		BCCBLN
[NH3+][C@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1O	ZINC000044196810	363184390	/nfs/dbraw/zinc/18/43/90/363184390.db2.gz	IJKSMKKCCLPWNS-SSDOTTSWSA-N	0	2	226.188	0.775	40	10		BCCBLN
O=C1NC(=S)SC1=Cc1cn[nH]n1	ZINC000004879420	342753918	/nfs/dbraw/zinc/75/39/18/342753918.db2.gz	SBSHSBXHBJYVHR-RJRFIUFISA-N	0	2	212.259	0.294	40	10		BCCBLN
COC(=O)c1[nH]cnc1N=NN(C)CCO	ZINC000018141956	384500595	/nfs/dbraw/zinc/50/05/95/384500595.db2.gz	NJOLHMNSGBBZOV-VAWYXSNFSA-N	0	2	227.224	0.119	40	10		BCCBLN
COc1cc([N+](=O)[O-])cc([C@@H]([NH3+])C(=O)[O-])c1O	ZINC000199809393	175017506	/nfs/dbraw/zinc/01/75/06/175017506.db2.gz	DMDPMRTURZYZRA-SSDOTTSWSA-N	0	2	242.187	0.393	40	10		BCCBLN
COc1cc([N+](=O)[O-])cc([C@H]([NH3+])C(=O)[O-])c1O	ZINC000072196577	175017617	/nfs/dbraw/zinc/01/76/17/175017617.db2.gz	DMDPMRTURZYZRA-ZETCQYMHSA-N	0	2	242.187	0.393	40	10		BCCBLN
COC(=O)c1[nH]cnc1N=NN(C)CCO	ZINC000104073809	384797164	/nfs/dbraw/zinc/79/71/64/384797164.db2.gz	NJOLHMNSGBBZOV-QXMHVHEDSA-N	0	2	227.224	0.119	40	10		BCCBLN
COc1cc([C@H]([NH3+])C(=O)[O-])c(O)c([N+](=O)[O-])c1	ZINC000072196578	175016560	/nfs/dbraw/zinc/01/65/60/175016560.db2.gz	OTUANRBAUNWADZ-ZETCQYMHSA-N	0	2	242.187	0.393	40	10		BCCBLN
CCS(=O)(=O)C1=CCC(=O)NC1=O	ZINC000217756707	387551450	/nfs/dbraw/zinc/55/14/50/387551450.db2.gz	AQLHTCGCWLPKSF-UHFFFAOYSA-N	0	2	203.219	0.286	40	10		BCCBLN
CCS(=O)(=O)c1ccc(O)[nH]c1=O	ZINC000217756707	387551452	/nfs/dbraw/zinc/55/14/52/387551452.db2.gz	AQLHTCGCWLPKSF-UHFFFAOYSA-N	0	2	203.219	0.286	40	10		BCCBLN
[NH3+][C@@H](C(=O)[O-])c1cc([N+](=O)[O-])ccc1O	ZINC000199809479	388655005	/nfs/dbraw/zinc/65/50/05/388655005.db2.gz	YRLZJCIXJOQMHJ-SSDOTTSWSA-N	0	2	212.161	0.385	40	10		BCCBLN
CC(=O)NCc1cc([N+](=O)[O-])ccc1O	ZINC000036622565	343321408	/nfs/dbraw/zinc/32/14/08/343321408.db2.gz	SKIMPHYSGGMGFO-UHFFFAOYSA-N	0	2	210.189	0.937	40	10		BCCBLN