smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]Cc1ccn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)n3CC(=O)[O-])c1	ZINC000013445029	581101138	/nfs/dbraw/zinc/10/11/38/581101138.db2.gz	LUIPVVRVNKNJEK-UHFFFAOYSA-N	0	0	359.298	-0.068	1	5		FBBFRN
O=C1O[C@@H]2[C@@H](O)CO[C@@]2(O)[C@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000017220378	211183665	/nfs/dbraw/zinc/18/36/65/211183665.db2.gz	QMKFYBFLRUQGKY-CVNCSBKSSA-N	0	0	359.718	-0.564	1	5		FBBFRN
C[N+](C)(C)C[C@@H](Cn1cnc2c1nc(N)nc2N)OC[P@@](=O)([O-])O	ZINC000026980881	717114123	/nfs/dbraw/zinc/11/41/23/717114123.db2.gz	RZYZIWWFICZRPO-MRVPVSSYSA-O	0	0	360.335	-0.783	1	5		FBBFRN
C[N+](C)(C)C[C@H](Cn1cnc2c1nc(N)nc2N)OC[P@@](=O)([O-])O	ZINC000026980888	717114210	/nfs/dbraw/zinc/11/42/10/717114210.db2.gz	RZYZIWWFICZRPO-QMMMGPOBSA-O	0	0	360.335	-0.783	1	5		FBBFRN
O=C1O[C@@H]2[C@@H](O)CO[C@]2(O)[C@@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000029346424	207989393	/nfs/dbraw/zinc/98/93/93/207989393.db2.gz	QMKFYBFLRUQGKY-BJUWDHJGSA-N	0	0	359.718	-0.564	1	5		FBBFRN
O=C1O[C@@H]2[C@@H](O)CO[C@]2(O)[C@@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000029346428	220601602	/nfs/dbraw/zinc/60/16/02/220601602.db2.gz	QMKFYBFLRUQGKY-VGYDOTAVSA-N	0	0	359.718	-0.564	1	5		FBBFRN
CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2c1=O	ZINC000035996436	205000255	/nfs/dbraw/zinc/00/02/55/205000255.db2.gz	CSIKZRHFFDICGQ-UHFFFAOYSA-N	0	0	366.315	-0.713	1	5	in-vitro	FBBFRN
C[C@H](Cn1ncnn1)n1nnc2cc3c(cc2c1=O)nnn(C1CC1)c3=O	ZINC000043203526	208302755	/nfs/dbraw/zinc/30/27/55/208302755.db2.gz	VGLJBZUIJLJGRZ-MRVPVSSYSA-N	0	0	366.345	-0.521	1	5		FBBFRN
O=c1c2cc3nnn(C4CC4)c(=O)c3cc2ncn1CCn1ncnn1	ZINC000059185046	205279855	/nfs/dbraw/zinc/27/98/55/205279855.db2.gz	HRBUWUZSNMSASF-UHFFFAOYSA-N	0	0	351.330	-0.477	1	5		FBBFRN
C[C@H](Cn1cnnn1)n1nnc2cc3c(cc2c1=O)nnn(C1CC1)c3=O	ZINC000059185670	205280560	/nfs/dbraw/zinc/28/05/60/205280560.db2.gz	MLHQDQWVNCUWHT-MRVPVSSYSA-N	0	0	366.345	-0.521	1	5		FBBFRN
C[N+]1(C)CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)[O-])CC1	ZINC000072112723	717133539	/nfs/dbraw/zinc/13/35/39/717133539.db2.gz	HBLACFQZLLQEOR-TUAOUCFPSA-O	0	0	361.444	-0.587	1	5		FBBFRN
CN(CCn1nnc2c(C(N)=O)ncn2c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000096910813	222137458	/nfs/dbraw/zinc/13/74/58/222137458.db2.gz	WNNRXTSTPSMKCV-UHFFFAOYSA-N	0	0	358.318	-0.571	1	5		FBBFRN
Cc1ccc(N(C)CCn2nnc3c(C(N)=O)ncn3c2=O)cc1[N+](=O)[O-]	ZINC000096910816	209162212	/nfs/dbraw/zinc/16/22/12/209162212.db2.gz	XICUYIQLHXVNCK-UHFFFAOYSA-N	0	0	372.345	-0.262	1	5		FBBFRN
Cc1cc2cc3c(=O)[nH]c(=O)cc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C	ZINC000017063968	220201858	/nfs/dbraw/zinc/20/18/58/220201858.db2.gz	FBLKQHCNHSWGPU-BQFCYCMXSA-N	0	0	374.393	-0.514	3	5		FBBFRN