smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2cc(CN(Cc3cccc([N+](=O)[O-])c3)[C@@H](Cc3cnc[nH]3)C(N)=O)no2)cc1	ZINC000029558631	563106799	/nfs/dbraw/zinc/10/67/99/563106799.db2.gz	RTRNCNLPEIBEMG-QFIPXVFZSA-N	0	1	460.494	3.380	1	5		JGBFMN
C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013492789	562970008	/nfs/dbraw/zinc/97/00/08/562970008.db2.gz	PGKSTNVRTSJCJO-LVXARBLLSA-N	0	1	497.615	3.159	1	5		JGBFMN
C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013492788	562969975	/nfs/dbraw/zinc/96/99/75/562969975.db2.gz	PGKSTNVRTSJCJO-QFQXNSOFSA-N	0	1	497.615	3.159	1	5		JGBFMN
C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013492787	562969969	/nfs/dbraw/zinc/96/99/69/562969969.db2.gz	PGKSTNVRTSJCJO-HFZDXXHNSA-N	0	1	497.615	3.159	1	5		JGBFMN
O=C(CCCCCCCCCCCN1CCOCC1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000040394853	563138970	/nfs/dbraw/zinc/13/89/70/563138970.db2.gz	ADKKZEXQGHUEBR-ILBGXUMGSA-N	0	1	479.618	3.339	1	5		JGBFMN
Cn1c2ccccc2c2c1n1nnc(-c3ccccc3)c1n(CCCC(=O)NCCc1cnc[nH]1)c2=O	ZINC000029052855	563093205	/nfs/dbraw/zinc/09/32/05/563093205.db2.gz	QTKVHGJQEWRSKU-UHFFFAOYSA-N	0	1	494.559	3.065	1	5		JGBFMN
O=c1oc2cc(OCC[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)ccc2c([O-])c1[N+](=O)[O-]	ZINC000029238116	563099232	/nfs/dbraw/zinc/09/92/32/563099232.db2.gz	IUNOGVIXKGNTSQ-UHFFFAOYSA-N	0	1	459.886	3.257	1	5		JGBFMN
CCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	ZINC000013543439	562973061	/nfs/dbraw/zinc/97/30/61/562973061.db2.gz	DVZARZBAWHITHR-SFHVURJKSA-O	0	1	454.521	3.442	1	5		JGBFMN
CCN(CC)C(=O)c1cc(=O)c(C)c2oc3c(C)c(O)c(N)c(C(=O)N(CC)CC)c3nc1-2	ZINC000028226678	563058106	/nfs/dbraw/zinc/05/81/06/563058106.db2.gz	LOQXKYAWUVNORV-UHFFFAOYSA-N	0	1	454.527	3.161	1	5		JGBFMN
Cc1ccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)o1	ZINC000059837324	563209338	/nfs/dbraw/zinc/20/93/38/563209338.db2.gz	MRBINCMUBDCBPR-RCZVLFRGSA-N	0	1	460.490	3.418	3	5		JGBFMN
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc([N+](=O)[O-])cc3)CC1)O2	ZINC000013728485	562985044	/nfs/dbraw/zinc/98/50/44/562985044.db2.gz	PRADOTPMMMGALO-UHFFFAOYSA-N	0	1	459.524	3.009	1	5		JGBFMN
O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1	ZINC000045290044	563184748	/nfs/dbraw/zinc/18/47/48/563184748.db2.gz	CLZQOEMZAKARGN-UHFFFAOYSA-N	0	1	483.960	3.161	1	5		JGBFMN
C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013492790	562969990	/nfs/dbraw/zinc/96/99/90/562969990.db2.gz	PGKSTNVRTSJCJO-RLWLMLJZSA-N	0	1	497.615	3.159	1	5		JGBFMN
Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1	ZINC000013747187	562988353	/nfs/dbraw/zinc/98/83/53/562988353.db2.gz	XRSGABXRLAWEDU-UHFFFAOYSA-N	0	1	454.556	3.119	1	5		JGBFMN
Cc1sc2nc(SCCCN3CCN(c4ccccc4[N+](=O)[O-])CC3)n(N)c(=O)c2c1C	ZINC000026026617	563022114	/nfs/dbraw/zinc/02/21/14/563022114.db2.gz	MJIJFXIRAWKNGV-UHFFFAOYSA-N	0	1	474.612	3.001	1	5		JGBFMN
Cc1ccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)o1	ZINC000059837325	563209288	/nfs/dbraw/zinc/20/92/88/563209288.db2.gz	MRBINCMUBDCBPR-RDGATRHJSA-N	0	1	460.490	3.418	3	5		JGBFMN
Cc1ccc(-c2cc(CN(Cc3cccc([N+](=O)[O-])c3)[C@H](Cc3cnc[nH]3)C(N)=O)no2)cc1	ZINC000029558635	563106813	/nfs/dbraw/zinc/10/68/13/563106813.db2.gz	RTRNCNLPEIBEMG-JOCHJYFZSA-N	0	1	460.494	3.380	1	5		JGBFMN
COc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c32)cc1	ZINC000040575789	563146419	/nfs/dbraw/zinc/14/64/19/563146419.db2.gz	OGXXYIBUCJNPFK-UHFFFAOYSA-N	0	1	489.531	3.156	1	5		JGBFMN
COc1nn(CCOCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12	ZINC000049803512	563204141	/nfs/dbraw/zinc/20/41/41/563204141.db2.gz	HNGOFMPHFBCIGI-VMPITWQZSA-N	0	1	465.554	3.301	1	5		JGBFMN