smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C(=O)N(C)CC(=O)N[O-]	393325567	582492764	/nfs/dbraw/zinc/49/27/64/582492764.db2.gz	NZRMZPVFHDGZBB-UHFFFAOYSA-N	-1	3	174.200	-0.394	20	5		ABBDHM
Nc1ccc([N+](=O)[O-])c(=O)[n-]1	87841851	169293757	/nfs/dbraw/zinc/29/37/57/169293757.db2.gz	NQZOQHXPOHBTTP-UHFFFAOYSA-N	-1	3	155.113	-0.135	20	5		ABBDHM
C[N+](C)(C)C[C@H](O)CP(=O)([O-])[O-]	12506548	343031831	/nfs/dbraw/zinc/03/18/31/343031831.db2.gz	CFKIUJQHVVMWGR-LURJTMIESA-O	-1	3	198.179	-0.769	20	5	biogenic	ABBDHM
O=[N+]([O-])c1ccnn1Cc1nn[n-]n1	610892916	347032260	/nfs/dbraw/zinc/03/22/60/347032260.db2.gz	IYLXQWNEILHKME-UHFFFAOYSA-N	-1	3	195.142	-0.647	20	5		ABBDHM
O=[N+]([O-])c1ccnn1Cc1nnn[n-]1	610892916	347032255	/nfs/dbraw/zinc/03/22/55/347032255.db2.gz	IYLXQWNEILHKME-UHFFFAOYSA-N	-1	3	195.142	-0.647	20	5		ABBDHM
C[N+](C)(C)C[C@@H](O)CP(=O)([O-])[O-]	106758292	351716845	/nfs/dbraw/zinc/71/68/45/351716845.db2.gz	CFKIUJQHVVMWGR-ZCFIWIBFSA-O	-1	3	198.179	-0.769	20	5	biogenic	ABBDHM
NC(=O)c1cncc([N+](=O)[O-])c1[O-]	575442313	352206107	/nfs/dbraw/zinc/20/61/07/352206107.db2.gz	VIASJGHRLBRHKL-UHFFFAOYSA-N	-1	3	183.123	-0.618	20	5		ABBDHM
NC(=O)c1c[n-]cc([N+](=O)[O-])c1=O	575442313	352206111	/nfs/dbraw/zinc/20/61/11/352206111.db2.gz	VIASJGHRLBRHKL-UHFFFAOYSA-N	-1	3	183.123	-0.618	20	5		ABBDHM
C[C@@H]1C[C@H]1C(=O)NCCC(=O)N[O-]	388621899	538434947	/nfs/dbraw/zinc/43/49/47/538434947.db2.gz	FRIAOYASMXZZFF-PHDIDXHHSA-N	-1	3	186.211	-0.346	20	5		ABBDHM
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[O-]	388621900	538435223	/nfs/dbraw/zinc/43/52/23/538435223.db2.gz	FRIAOYASMXZZFF-RITPCOANSA-N	-1	3	186.211	-0.346	20	5		ABBDHM
C[C@H]1C[C@H]1C(=O)NCCC(=O)N[O-]	388621897	538435393	/nfs/dbraw/zinc/43/53/93/538435393.db2.gz	FRIAOYASMXZZFF-NTSWFWBYSA-N	-1	3	186.211	-0.346	20	5		ABBDHM
C[C@H]1C[C@@H]1C(=O)NCCC(=O)N[O-]	388621901	538435435	/nfs/dbraw/zinc/43/54/35/538435435.db2.gz	FRIAOYASMXZZFF-WDSKDSINSA-N	-1	3	186.211	-0.346	20	5		ABBDHM
C[C@H](CN(C)CC[N+](=O)[O-])C(=O)[O-]	1589033683	955539017	/nfs/dbraw/zinc/53/90/17/955539017.db2.gz	AOIYNHGJHXUXLV-ZCFIWIBFSA-N	-1	3	190.199	-0.084	20	5		ABBDHM
C[C@@H](CN(C)CC[N+](=O)[O-])C(=O)[O-]	1589033681	955539042	/nfs/dbraw/zinc/53/90/42/955539042.db2.gz	AOIYNHGJHXUXLV-LURJTMIESA-N	-1	3	190.199	-0.084	20	5		ABBDHM
Cn1nccc1COCC(=O)N[O-]	393580203	573273170	/nfs/dbraw/zinc/27/31/70/573273170.db2.gz	DWDDYUHYYNZPRF-UHFFFAOYSA-N	-1	3	185.183	-0.558	20	5		ABBDHM
O=C([O-])[C@@H]1CCN(CC[N+](=O)[O-])C1	1601825907	1170777693	/nfs/dbraw/zinc/77/76/93/1170777693.db2.gz	VTXVPTLLZRGYFR-ZCFIWIBFSA-N	-1	3	188.183	-0.330	20	5		ABBDHM
O=C([O-])[C@H]1CCN(CC[N+](=O)[O-])C1	1601825906	1170778244	/nfs/dbraw/zinc/77/82/44/1170778244.db2.gz	VTXVPTLLZRGYFR-LURJTMIESA-N	-1	3	188.183	-0.330	20	5		ABBDHM
C/C(=C\CNCC[N+](=O)[O-])C(=O)[O-]	1588982714	984884257	/nfs/dbraw/zinc/88/42/57/984884257.db2.gz	XZZBGJNIWWIWKA-QHHAFSJGSA-N	-1	3	188.183	-0.116	20	5		ABBDHM
C/C(=C/CNCC[N+](=O)[O-])C(=O)[O-]	1588982713	984884742	/nfs/dbraw/zinc/88/47/42/984884742.db2.gz	XZZBGJNIWWIWKA-KXFIGUGUSA-N	-1	3	188.183	-0.116	20	5		ABBDHM