smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c([N+](=O)[O-])cnc1C(=[NH2+])NN	104541746	169034222	/nfs/dbraw/zinc/03/42/22/169034222.db2.gz	DVDDPFRMIWSHHY-UHFFFAOYSA-N	1	2	184.159	-0.883	10	5		ABBELO
CNc1nc(NN)[nH+]cc1[N+](=O)[O-]	234551441	344722746	/nfs/dbraw/zinc/72/27/46/344722746.db2.gz	UVTOPEDYJBEEET-UHFFFAOYSA-N	1	2	184.159	-0.288	10	5		ABBELO
CNNc1nc(N)c([N+](=O)[O-])c[nH+]1	575547182	410099315	/nfs/dbraw/zinc/09/93/15/410099315.db2.gz	YBEQKYYCFBNMAS-UHFFFAOYSA-N	1	2	184.159	-0.487	10	5		ABBELO
[NH3+]CCc1noc([C@H]2C[C@H]2[N+](=O)[O-])n1	308825426	574023742	/nfs/dbraw/zinc/02/37/42/574023742.db2.gz	HVJWIHQIIRGOKG-CRCLSJGQSA-N	1	2	198.182	-0.297	10	5		ABBELO
[NH3+]CCc1noc([C@@H]2C[C@@H]2[N+](=O)[O-])n1	308825434	574024027	/nfs/dbraw/zinc/02/40/27/574024027.db2.gz	HVJWIHQIIRGOKG-UHNVWZDZSA-N	1	2	198.182	-0.297	10	5		ABBELO
C[NH2+]Cc1noc([C@H]2C[C@H]2[N+](=O)[O-])n1	308868845	573522454	/nfs/dbraw/zinc/52/24/54/573522454.db2.gz	IAADXROBSUBIGM-CRCLSJGQSA-N	1	2	198.182	-0.078	10	5		ABBELO
C[NH2+]Cc1noc([C@@H]2C[C@@H]2[N+](=O)[O-])n1	308868849	573524214	/nfs/dbraw/zinc/52/42/14/573524214.db2.gz	IAADXROBSUBIGM-UHNVWZDZSA-N	1	2	198.182	-0.078	10	5		ABBELO
COC(=O)[C@@H]([NH3+])C(C)(C)[N+](=O)[O-]	139802635	571723861	/nfs/dbraw/zinc/72/38/61/571723861.db2.gz	SHMHBLWRZBXDKA-SCSAIBSYSA-N	1	2	176.172	-0.458	10	5		ABBELO
NC(=[NH2+])SC[N+](=O)[O-]	147785838	571860841	/nfs/dbraw/zinc/86/08/41/571860841.db2.gz	RUHYALVHYIIAPX-UHFFFAOYSA-N	1	2	135.148	-0.153	10	5		ABBELO
[NH3+]C[C@@](Br)(CO)[N+](=O)[O-]	687727625	571893127	/nfs/dbraw/zinc/89/31/27/571893127.db2.gz	HEKKJRFBOXZUMB-VKHMYHEASA-N	1	2	199.004	-0.695	10	5		ABBELO
[NH3+]C[C@](Br)(CO)[N+](=O)[O-]	687727624	571893347	/nfs/dbraw/zinc/89/33/47/571893347.db2.gz	HEKKJRFBOXZUMB-GSVOUGTGSA-N	1	2	199.004	-0.695	10	5		ABBELO
C[NH2+]CC(C)([N+](=O)[O-])[N+](=O)[O-]	687727715	571898434	/nfs/dbraw/zinc/89/84/34/571898434.db2.gz	FFEGWHIAKVCBTD-UHFFFAOYSA-N	1	2	163.133	-0.525	10	5		ABBELO
CCCC1([N+](=O)[O-])CNC[NH2+]C1	687728100	571904161	/nfs/dbraw/zinc/90/41/61/571904161.db2.gz	ATGGHDGSZBUVNL-UHFFFAOYSA-N	1	2	173.216	-0.048	10	5		ABBELO
CCOC(=O)[C@H]([NH3+])C[N+](=O)[O-]	687728513	571907782	/nfs/dbraw/zinc/90/77/82/571907782.db2.gz	ZKMIXUFGBMYNCA-SCSAIBSYSA-N	1	2	162.145	-0.847	10	5		ABBELO
O=[N+]([O-])[C@@H]1C[NH2+]C[C@@H]([N+](=O)[O-])C1	687807644	571908947	/nfs/dbraw/zinc/90/89/47/571908947.db2.gz	KGHIEYUNADAVEK-WHFBIAKZSA-N	1	2	175.144	-0.730	10	5		ABBELO
CCOC(=O)[C@@H]([NH3+])C[N+](=O)[O-]	687728512	571909621	/nfs/dbraw/zinc/90/96/21/571909621.db2.gz	ZKMIXUFGBMYNCA-BYPYZUCNSA-N	1	2	162.145	-0.847	10	5		ABBELO
O=[N+]([O-])[C@H]1C[NH2+]C[C@H]([N+](=O)[O-])C1	687807642	571910125	/nfs/dbraw/zinc/91/01/25/571910125.db2.gz	KGHIEYUNADAVEK-RFZPGFLSSA-N	1	2	175.144	-0.730	10	5		ABBELO
O=[N+]([O-])[C@@H]1C[NH2+]C[C@H]([N+](=O)[O-])C1	687807643	571910492	/nfs/dbraw/zinc/91/04/92/571910492.db2.gz	KGHIEYUNADAVEK-SYDPRGILSA-N	1	2	175.144	-0.730	10	5		ABBELO
C[NH2+]Cc1noc([C@H]2C[C@@H]2[N+](=O)[O-])n1	308868851	573520694	/nfs/dbraw/zinc/52/06/94/573520694.db2.gz	IAADXROBSUBIGM-WHFBIAKZSA-N	1	2	198.182	-0.078	10	5		ABBELO
C[NH2+]Cc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1	308868847	573523200	/nfs/dbraw/zinc/52/32/00/573523200.db2.gz	IAADXROBSUBIGM-RFZPGFLSSA-N	1	2	198.182	-0.078	10	5		ABBELO
[NH3+]CCc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1	308825429	574024402	/nfs/dbraw/zinc/02/44/02/574024402.db2.gz	HVJWIHQIIRGOKG-RFZPGFLSSA-N	1	2	198.182	-0.297	10	5		ABBELO
[NH3+]CCc1noc([C@H]2C[C@@H]2[N+](=O)[O-])n1	308825437	574024443	/nfs/dbraw/zinc/02/44/43/574024443.db2.gz	HVJWIHQIIRGOKG-WHFBIAKZSA-N	1	2	198.182	-0.297	10	5		ABBELO