smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(NN=Cc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000058992161	301068172	/nfs/dbraw/zinc/06/81/72/301068172.db2.gz	YUNDSBNOLHOGKA-MLPAPPSSSA-N	-2	1	289.251	1.138	40	30		CDEBML
Cc1cc(=O)[n-]c(NN=Cc2ccccc2C(=O)[O-])n1	ZINC000008619280	301372633	/nfs/dbraw/zinc/37/26/33/301372633.db2.gz	KCMZECCBNACZAX-VGOFMYFVSA-N	-2	1	272.264	1.635	40	30		CDEBML
Cc1cc(=O)[n-]c(NN=Cc2ccccc2C(=O)[O-])n1	ZINC000008619279	301372537	/nfs/dbraw/zinc/37/25/37/301372537.db2.gz	KCMZECCBNACZAX-AUWJEWJLSA-N	-2	1	272.264	1.635	40	30		CDEBML
O=C([O-])/C=N\[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000017062419	356452898	/nfs/dbraw/zinc/45/28/98/356452898.db2.gz	NZXJCYDYAPDQCV-WCIBSUBMSA-N	-2	1	297.119	1.342	40	30		CDEBML
N#Cc1ccc(Sc2nc([O-])cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000016384405	373089346	/nfs/dbraw/zinc/08/93/46/373089346.db2.gz	PQOLKZFAOAUXIK-UHFFFAOYSA-N	-2	1	290.260	1.407	40	30		CDEBML
[O-]c1c(Cl)cc(CN=Nc2nn[n-]n2)cc1Cl	ZINC000100949466	364273564	/nfs/dbraw/zinc/27/35/64/364273564.db2.gz	VOOFZGBSPCBRAT-QDEBKDIKSA-N	-2	1	273.083	1.658	40	30		CDEBML
C=CCc1ccccc1OCc1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000217382175	372043774	/nfs/dbraw/zinc/04/37/74/372043774.db2.gz	PPEPOPRKIHPENW-UHFFFAOYSA-N	-2	1	286.287	1.776	40	30		CDEBML
O=C([O-])c1cccc(-c2ccc(CN=Nc3nn[n-]n3)o2)c1	ZINC000004893862	230369204	/nfs/dbraw/zinc/36/92/04/230369204.db2.gz	UPZHAFAEPFBISJ-VGOFMYFVSA-N	-2	1	298.262	1.604	40	30		CDEBML
O=C([O-])/C=N/[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000001559686	355939360	/nfs/dbraw/zinc/93/93/60/355939360.db2.gz	NZXJCYDYAPDQCV-NYYWCZLTSA-N	-2	1	297.119	1.342	40	30		CDEBML
O=c1[n-]c(C=Cc2ccc(Cl)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000006505918	356075817	/nfs/dbraw/zinc/07/58/17/356075817.db2.gz	NAAOOESTOPQLCT-ZZXKWVIFSA-N	-2	1	293.666	1.053	40	30		CDEBML
O=C([O-])c1ccccc1-c1ccc(CN=Nc2nn[n-]n2)o1	ZINC000006528909	170210956	/nfs/dbraw/zinc/21/09/56/170210956.db2.gz	HLDRLDKHFUYDSA-VGOFMYFVSA-N	-2	1	298.262	1.604	40	30		CDEBML
Cc1n[n-]c(=S)n1N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000041213294	348739401	/nfs/dbraw/zinc/73/94/01/348739401.db2.gz	PGMYGPQUWDAATR-VZUCSPMQSA-N	-2	1	279.281	1.745	40	30		CDEBML
[O-]c1c(Cl)cc(CN=Nc2nn[n-]n2)cc1Cl	ZINC000100949464	364272902	/nfs/dbraw/zinc/27/29/02/364272902.db2.gz	VOOFZGBSPCBRAT-JYOAFUTRSA-N	-2	1	273.083	1.658	40	30		CDEBML
O=C1c2cccc3c2c(ccc3S(=O)(=O)[O-])C(=O)N1[O-]	ZINC000005214522	304720773	/nfs/dbraw/zinc/72/07/73/304720773.db2.gz	HGAMGTVDVKDCDT-UHFFFAOYSA-N	-2	1	293.256	1.072	40	30		CDEBML
[O-]/N=C/c1nnc2sc(-c3cccc(/C=N/[O-])c3)nn12	ZINC000041127182	361788078	/nfs/dbraw/zinc/78/80/78/361788078.db2.gz	RBDAHKPFLREJPD-BYDSPXIWSA-N	-2	1	288.292	1.469	40	30		CDEBML
O=C([O-])CCC(N=Nc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000016450234	356440080	/nfs/dbraw/zinc/44/00/80/356440080.db2.gz	JDPZQWVJUVAGEV-MDWZMJQESA-N	-2	1	281.224	1.312	40	30		CDEBML
[O-]/N=C/c1nnc2sc(-c3ccc(/C=N/[O-])cc3)nn12	ZINC000041127190	361787151	/nfs/dbraw/zinc/78/71/51/361787151.db2.gz	WVKGHSPGBPSKNN-BYDSPXIWSA-N	-2	1	288.292	1.469	40	30		CDEBML