smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)n([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@H]2O)cc1F	ZINC000138146323	373363425	/nfs/dbraw/zinc/36/34/25/373363425.db2.gz	PWMONNQGKGCANX-UAKXSSHOSA-N	-2	3	324.157	-1.550	40	0		DAABHL
NC(=[NH2+])NCCC[C@H](N[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000001529940	340407354	/nfs/dbraw/zinc/40/73/54/340407354.db2.gz	LMKYZBGVKHTLTN-NKWVEPMBSA-N	-2	3	304.303	-1.390	40	0	in-vitro	DAABHL
O=C([O-])[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000006090987	181311913	/nfs/dbraw/zinc/31/19/13/181311913.db2.gz	LKZGKOYOKVWGFN-UQGZVRACSA-N	-2	3	306.202	-3.260	40	0	in-vitro	DAABHL
C[C@H](CCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000031601388	372790032	/nfs/dbraw/zinc/79/00/32/372790032.db2.gz	YHHGTMLHFCJTHJ-MRVPVSSYSA-N	-4	3	320.298	-1.293	40	0		DAABHL
NC(=O)c1nc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)n[n-]1	ZINC000008659462	372771331	/nfs/dbraw/zinc/77/13/31/372771331.db2.gz	ZJUFTDLZQXIECM-SQOUGZDYSA-N	-3	3	324.186	-2.825	40	0		DAABHL
N[C@@H](CC[NH2+][C@@H](CCN1CC[C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000001530134	373352117	/nfs/dbraw/zinc/35/21/17/373352117.db2.gz	KRGPXXHMOXVMMM-CIUDSAMLSA-N	-2	3	303.315	-1.620	40	0	biogenic,in-vitro	DAABHL
C[C@@H](CCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000001587884	372761938	/nfs/dbraw/zinc/76/19/38/372761938.db2.gz	YHHGTMLHFCJTHJ-QMMMGPOBSA-N	-4	3	320.298	-1.293	40	0		DAABHL
NC(=O)c1nc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)n[n-]1	ZINC000008659460	372771598	/nfs/dbraw/zinc/77/15/98/372771598.db2.gz	ZJUFTDLZQXIECM-MGCNEYSASA-N	-3	3	324.186	-2.825	40	0		DAABHL
O=C([O-])CC[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)[O-]	ZINC000079036671	185147999	/nfs/dbraw/zinc/14/79/99/185147999.db2.gz	PUFNBARRTADWAC-AJGMQJJTSA-N	-2	3	309.271	-3.462	40	0		DAABHL
NC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000005329162	181230288	/nfs/dbraw/zinc/23/02/88/181230288.db2.gz	DELMGLRAJKNHKV-UHFFFAOYSA-N	-2	3	310.291	-1.037	40	0		DAABHL
NC(=[NH2+])NCCC[C@H](N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000001529939	303219835	/nfs/dbraw/zinc/21/98/35/303219835.db2.gz	LMKYZBGVKHTLTN-BQBZGAKWSA-N	-2	3	304.303	-1.390	40	0		DAABHL
NC(=O)c1nc([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)n[n-]1	ZINC000008659463	372771348	/nfs/dbraw/zinc/77/13/48/372771348.db2.gz	ZJUFTDLZQXIECM-SKNVOMKLSA-N	-3	3	324.186	-2.825	40	0		DAABHL
NC(=O)c1nc([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)n[n-]1	ZINC000008659461	372771757	/nfs/dbraw/zinc/77/17/57/372771757.db2.gz	ZJUFTDLZQXIECM-NEEWWZBLSA-N	-3	3	324.186	-2.825	40	0		DAABHL
O=C([O-])CN(CCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000004683946	304066227	/nfs/dbraw/zinc/06/62/27/304066227.db2.gz	ZIMXAFGAUMQPMG-UHFFFAOYSA-N	-3	3	320.298	-1.291	40	0		DAABHL
O=c1[n-]c(=O)n([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@H]2O)cc1F	ZINC000138146236	373363578	/nfs/dbraw/zinc/36/35/78/373363578.db2.gz	PWMONNQGKGCANX-MNCSTQPFSA-N	-2	3	324.157	-1.550	40	0		DAABHL