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-])C[NH+]1CCOCCOCC[NH+](CC(=O)[O-])CCOCCOCC1	ZINC000003896111	570886025	/nfs/dbraw/zinc/88/60/25/570886025.db2.gz	NCKZZTXKSYMGTD-UHFFFAOYSA-N	0	2	378.422	-1.160	50	0		GAAALN
O=C1[C@H]2[C@H](C(=O)N1c1nn[nH]n1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3nn[nH]n3)C(=O)[C@H]21	ZINC000004006841	570354116	/nfs/dbraw/zinc/35/41/16/570354116.db2.gz	LVALNQVJUBZYLU-PPOMMRCSSA-N	0	2	382.300	-2.560	50	0		GAAALN
NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC000004546695	204052004	/nfs/dbraw/zinc/05/20/04/204052004.db2.gz	QAYUGHWUEAJNPD-GFCCVEGCSA-N	0	2	392.416	-1.635	50	0		GAAALN
O=c1[nH]c(=S)[nH]c(O)c1C(c1ccncc1)c1c(O)[nH]c(=S)[nH]c1=O	ZINC000009311144	530175890	/nfs/dbraw/zinc/17/58/90/530175890.db2.gz	FQJMJBUXMWKBRK-UHFFFAOYSA-N	0	2	377.407	-1.541	50	0		GAAALN
CN(C[C@@H](O)COC(CN1CCOCC1)C[NH+]1CCOCC1)S(=O)(=O)[O-]	ZINC000022205863	1074285122	/nfs/dbraw/zinc/28/51/22/1074285122.db2.gz	QMLNZBDTBAHOJN-CQSZACIVSA-N	0	2	397.494	-1.869	50	0		GAAALN
CN(C[C@H](O)COC(CN1CCOCC1)C[NH+]1CCOCC1)S(=O)(=O)[O-]	ZINC000022205865	1074285134	/nfs/dbraw/zinc/28/51/34/1074285134.db2.gz	QMLNZBDTBAHOJN-AWEZNQCLSA-N	0	2	397.494	-1.869	50	0		GAAALN
Cn1ncc(N2CCO[C@H](CCNC(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)cc1=O	ZINC000072150202	136167008	/nfs/dbraw/zinc/16/70/08/136167008.db2.gz	WVJZNLZHOUGBFJ-LLVKDONJSA-N	0	2	376.373	-1.818	50	0		GAAALN
Cn1ncc(N2CCO[C@@H](CCNC(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)cc1=O	ZINC000072150203	136167097	/nfs/dbraw/zinc/16/70/97/136167097.db2.gz	WVJZNLZHOUGBFJ-NSHDSACASA-N	0	2	376.373	-1.818	50	0		GAAALN
COCC(=O)N1CCN(Cc2cc(=O)n3nc[nH]c3n2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000102362445	570288581	/nfs/dbraw/zinc/28/85/81/570288581.db2.gz	LTCGDVBHVOHDQX-NWDGAFQWSA-N	0	2	396.429	-2.126	50	0		GAAALN
COCCN1CCN(Cc2cc(=O)n3nc[nH]c3n2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000102529989	570289608	/nfs/dbraw/zinc/28/96/08/570289608.db2.gz	IBUYRQMZNQSHLS-OLZOCXBDSA-N	0	2	382.446	-1.653	50	0		GAAALN
O=C1[C@H]2[C@@H](C(=O)N1c1nn[nH]n1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nn[nH]n3)C(=O)[C@@H]21	ZINC000261361408	570788178	/nfs/dbraw/zinc/78/81/78/570788178.db2.gz	LVALNQVJUBZYLU-CBUHOJLWSA-N	0	2	382.300	-2.560	50	0		GAAALN
O=C1[C@H]2[C@@H](C(=O)N1c1nn[nH]n1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nn[nH]n3)C(=O)[C@H]21	ZINC000261361409	206183857	/nfs/dbraw/zinc/18/38/57/206183857.db2.gz	LVALNQVJUBZYLU-LXTFHKNLSA-N	0	2	382.300	-2.560	50	0		GAAALN