smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(CNCC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421050	417535602	/nfs/dbraw/zinc/53/56/02/417535602.db2.gz	MQKAFCMOWBRVLI-GFCCVEGCSA-N	1	1	313.379	0.461	40	5		DCBBMO
C[NH+]1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008091747	395683957	/nfs/dbraw/zinc/68/39/57/395683957.db2.gz	REYFSCSEDZRVTR-UHFFFAOYSA-N	1	1	307.306	0.526	40	5		DCBBMO
Cc1[nH]nc(NCC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000006908649	415135224	/nfs/dbraw/zinc/13/52/24/415135224.db2.gz	ASUMNUDZEDVTDU-JTQLQIEISA-N	1	1	308.342	0.345	40	5		DCBBMO
O=[N+]([O-])c1ccc(CNCC[NH2+][C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421051	417535848	/nfs/dbraw/zinc/53/58/48/417535848.db2.gz	MQKAFCMOWBRVLI-LBPRGKRZSA-N	1	1	313.379	0.461	40	5		DCBBMO
O=C(CCn1ccc([N+](=O)[O-])n1)NCCC[NH+]1CCOCC1	ZINC000022239122	395691703	/nfs/dbraw/zinc/69/17/03/395691703.db2.gz	VKRKEJDLQQUMGM-UHFFFAOYSA-N	1	1	311.342	0.020	40	5		DCBBMO
COc1cc(NC(=O)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000408553274	532977302	/nfs/dbraw/zinc/97/73/02/532977302.db2.gz	PQNNHQFWLGNGKR-UHFFFAOYSA-N	1	1	308.338	0.789	40	5		DCBBMO
CN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000013613701	395688698	/nfs/dbraw/zinc/68/86/98/395688698.db2.gz	GAPYNXKMJJMWJE-UHFFFAOYSA-N	1	1	306.366	0.962	40	5		DCBBMO
C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000035276573	395720080	/nfs/dbraw/zinc/72/00/80/395720080.db2.gz	BMKPRZAWBKQDAC-UHFFFAOYSA-N	1	1	308.294	0.820	40	5		DCBBMO
CC1(C)N=C(N)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=[NH+]1	ZINC000001577779	257231359	/nfs/dbraw/zinc/23/13/59/257231359.db2.gz	MOZANNGWWCMKHH-UHFFFAOYSA-N	1	1	320.353	0.963	40	5		DCBBMO
O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCOCC1	ZINC000022239121	182314914	/nfs/dbraw/zinc/31/49/14/182314914.db2.gz	FNVVBTOOZUGLGH-UHFFFAOYSA-N	1	1	311.342	0.020	40	5		DCBBMO
CC[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	ZINC000015022450	415150246	/nfs/dbraw/zinc/15/02/46/415150246.db2.gz	VOOBHTXJIRJUFU-NEPJUHHUSA-N	1	1	301.299	0.040	40	5		DCBBMO
CC[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	ZINC000015022450	415150254	/nfs/dbraw/zinc/15/02/54/415150254.db2.gz	VOOBHTXJIRJUFU-NEPJUHHUSA-N	1	1	301.299	0.040	40	5		DCBBMO
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C)CC1	ZINC000035264055	395720444	/nfs/dbraw/zinc/72/04/44/395720444.db2.gz	BSHPXMVOKFPSRW-LLVKDONJSA-N	1	1	320.349	0.487	40	5		DCBBMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1Cl	ZINC000015442728	182002225	/nfs/dbraw/zinc/00/22/25/182002225.db2.gz	OQMOBVXDUNKVFT-UHFFFAOYSA-N	1	1	305.743	0.842	40	5		DCBBMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH2+]CC2)ccc1Cl	ZINC000020006560	395691165	/nfs/dbraw/zinc/69/11/65/395691165.db2.gz	OBPLGBFOVZTVKW-UHFFFAOYSA-N	1	1	305.743	0.842	40	5		DCBBMO
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C)CC1	ZINC000035264054	395720230	/nfs/dbraw/zinc/72/02/30/395720230.db2.gz	BSHPXMVOKFPSRW-NSHDSACASA-N	1	1	320.349	0.487	40	5		DCBBMO
Cc1[nH]nc(NCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000006908648	415133917	/nfs/dbraw/zinc/13/39/17/415133917.db2.gz	ASUMNUDZEDVTDU-SNVBAGLBSA-N	1	1	308.342	0.345	40	5		DCBBMO
CN1CC[NH+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000022913946	182341318	/nfs/dbraw/zinc/34/13/18/182341318.db2.gz	UYVKZMIMIICJME-UHFFFAOYSA-N	1	1	320.393	0.891	40	5		DCBBMO
CN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000013648332	415150149	/nfs/dbraw/zinc/15/01/49/415150149.db2.gz	SIWNCFNJMQMPJD-UHFFFAOYSA-N	1	1	306.366	0.962	40	5		DCBBMO
COc1ccc(NC(=O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000014152846	395689216	/nfs/dbraw/zinc/68/92/16/395689216.db2.gz	PFRVIHULWSSPHT-UHFFFAOYSA-N	1	1	308.338	0.789	40	5		DCBBMO