smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@](=O)(=NC(N)=O)c1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000141015450	206135784	/nfs/dbraw/zinc/13/57/84/206135784.db2.gz	VBCKMADOGOMHAP-VWLOTQADSA-N	-1	0	360.347	2.180	1	5		FEBFRM
COc1cc(COC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c([N+](=O)[O-])cc1OC	ZINC000001634808	204015162	/nfs/dbraw/zinc/01/51/62/204015162.db2.gz	HSZYIVOKRMBMJY-CYBMUJFWSA-N	-1	0	370.358	2.338	1	5		FEBFRM
O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042251065	205094235	/nfs/dbraw/zinc/09/42/35/205094235.db2.gz	CXZXPHBZGWSABD-BJMVGYQFSA-N	-1	0	350.327	2.252	1	5		FEBFRM
CC(=O)N[C@@H](CSC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000066251698	205365846	/nfs/dbraw/zinc/36/58/46/205365846.db2.gz	IPUWMALTYJODFG-JTQLQIEISA-N	-1	0	361.763	2.103	1	5		FEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1	ZINC000013840053	211063128	/nfs/dbraw/zinc/06/31/28/211063128.db2.gz	ZTQFXWYMGRTPDR-JTQLQIEISA-N	-1	0	370.408	2.320	1	5		FEBFRM
O=c1[n-]n(Cc2cccnc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12	ZINC000013553689	211039451	/nfs/dbraw/zinc/03/94/51/211039451.db2.gz	RBFNIYIXARBGKU-UHFFFAOYSA-N	-1	0	354.753	2.040	1	5		FEBFRM
Nc1nc2c(C(=O)[O-])c3ccc([N+](=O)[O-])cc3c(=O)n2c2ccccc12	ZINC000001653917	210364176	/nfs/dbraw/zinc/36/41/76/210364176.db2.gz	AOURIGIYGBHRPR-UHFFFAOYSA-N	-1	0	350.290	2.190	1	5		FEBFRM
CN(C(=O)c1c([O-])c2c([N+](=O)[O-])cccc2n(C)c1=O)c1ccccc1	ZINC000101209381	222265383	/nfs/dbraw/zinc/26/53/83/222265383.db2.gz	WMRIWKLWPOHJQJ-UHFFFAOYSA-N	-1	0	353.334	2.429	1	5		FEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1	ZINC000013863146	211062872	/nfs/dbraw/zinc/06/28/72/211062872.db2.gz	XOPIHCPBUCTPGS-JTQLQIEISA-N	-1	0	370.408	2.320	1	5		FEBFRM
CCOC(=O)C(C[C@@H]1C(=O)C2CCN1CC2)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000064254264	221146459	/nfs/dbraw/zinc/14/64/59/221146459.db2.gz	NIKBGARVJSHMFV-JKSUJKDBSA-N	-1	0	374.393	2.010	1	5		FEBFRM
O=C(c1n[n-]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1	ZINC000049109348	205168465	/nfs/dbraw/zinc/16/84/65/205168465.db2.gz	NZNNRDYLIVGMRW-UHFFFAOYSA-N	-1	0	362.301	2.350	1	5		FEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000013839999	207489411	/nfs/dbraw/zinc/48/94/11/207489411.db2.gz	DFAVEBLFVJRPBM-LBPRGKRZSA-N	-1	0	364.379	2.259	1	5		FEBFRM
O=CN1c2ccccc2[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@H](C(=O)[O-])C5)[C@@H]34	ZINC000238785661	717163578	/nfs/dbraw/zinc/16/35/78/717163578.db2.gz	AGZHUPIPORRGEL-SRRBXEMYSA-N	-1	0	368.433	2.405	1	5		FEBFRM
O=c1nc2n(-c3ccccc3F)c3c(cccc3[N+](=O)[O-])cc-2c(=O)[n-]1	ZINC000096286458	209150235	/nfs/dbraw/zinc/15/02/35/209150235.db2.gz	XSYUDYQSRHQEMM-UHFFFAOYSA-N	-1	0	352.281	2.226	1	5		FEBFRM
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000027555964	207934367	/nfs/dbraw/zinc/93/43/67/207934367.db2.gz	DFAVEBLFVJRPBM-GFCCVEGCSA-N	-1	0	364.379	2.259	1	5		FEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000013863119	211062696	/nfs/dbraw/zinc/06/26/96/211062696.db2.gz	CVXKLRNQSFWADW-LBPRGKRZSA-N	-1	0	364.379	2.259	1	5		FEBFRM