smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C2CC2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000013832659	562999841	/nfs/dbraw/zinc/99/98/41/562999841.db2.gz	BPWHGUFERPAUEX-UHFFFAOYSA-N	-1	3	480.488	3.715	1	5		JHBFHM
O=c1n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(C2CC2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000013832659	562999842	/nfs/dbraw/zinc/99/98/42/562999842.db2.gz	BPWHGUFERPAUEX-UHFFFAOYSA-N	-1	3	480.488	3.715	1	5		JHBFHM
O=C([O-])c1cn(-c2ccc(F)cc2)c2nc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000028868026	563083887	/nfs/dbraw/zinc/08/38/87/563083887.db2.gz	KYOFWUQTVMPYJP-UHFFFAOYSA-N	-1	3	495.511	3.586	1	5		JHBFHM
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21	ZINC000043022816	563165137	/nfs/dbraw/zinc/16/51/37/563165137.db2.gz	RZZFBQBYOJVYAG-GFCCVEGCSA-N	-1	3	468.464	3.549	1	5		JHBFHM
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21	ZINC000043022818	563165171	/nfs/dbraw/zinc/16/51/71/563165171.db2.gz	RZZFBQBYOJVYAG-LBPRGKRZSA-N	-1	3	468.464	3.549	1	5		JHBFHM
Cc1c2c(cc3c1ccnc3C(=O)NCCN(C)C)c1cc(OC(=O)CCCC(=O)[O-])ccc1n2C	ZINC000002004579	562924378	/nfs/dbraw/zinc/92/43/78/562924378.db2.gz	QQCPKTHQJNAFGC-UHFFFAOYSA-N	-1	3	490.560	3.640	1	5		JHBFHM
CO[C@]1(c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@]1([O-])OC	ZINC000040939622	563158797	/nfs/dbraw/zinc/15/87/97/563158797.db2.gz	UVWWOEDXYDXXHY-CLJLJLNGSA-N	-1	3	487.468	3.857	1	5		JHBFHM
CO[C@]1([O-])C(=O)c2ccccc2O[C@@]1(OC)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000040939624	563158791	/nfs/dbraw/zinc/15/87/91/563158791.db2.gz	UVWWOEDXYDXXHY-FTJBHMTQSA-N	-1	3	487.468	3.857	1	5		JHBFHM
O=C([N-]n1c(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2nc1-c1cccc([N+](=O)[O-])c1)c1cccnc1	ZINC000049089220	563201804	/nfs/dbraw/zinc/20/18/04/563201804.db2.gz	QHFBOGZEDHXQFJ-UHFFFAOYSA-N	-1	3	487.863	3.794	1	5		JHBFHM
COc1ccc2c(c1)C(=O)[C@@]([N-]c1ccc(C=O)cc1)(OC)[C@@](OC)(c1ccc([N+](=O)[O-])cc1)O2	ZINC000001638884	562922119	/nfs/dbraw/zinc/92/21/19/562922119.db2.gz	JODSMLPBXCWQCF-JWQCQUIFSA-N	-1	3	478.457	3.945	1	5		JHBFHM
CC1(C)N=C([N-]C(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=N)N1OCc1cccc2ccccc21	ZINC000045321868	563188386	/nfs/dbraw/zinc/18/83/86/563188386.db2.gz	CUJCMKGFXXPGOK-UHFFFAOYSA-N	-1	3	461.482	3.724	1	5		JHBFHM
Cn1ccc2ccc3c4[nH]c5c(cccc5CCN5CCOCC5)c4c4c(c3c21)C(=O)[N-]C4=O	ZINC000013535137	562972614	/nfs/dbraw/zinc/97/26/14/562972614.db2.gz	BDOCJJUGIOCUKN-UHFFFAOYSA-N	-1	3	452.514	3.724	1	5		JHBFHM
CC(C)c1ccc2nc3ccc(S(=O)(=O)[N-]CCCCc4cccnc4)cn3c(=O)c2c1	ZINC000027525404	563045507	/nfs/dbraw/zinc/04/55/07/563045507.db2.gz	CUWDEWBTCUPBBR-UHFFFAOYSA-N	-1	3	450.564	3.667	1	5		JHBFHM
COc1c(N2CCC(N3CCCCC3)CC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123768	563094326	/nfs/dbraw/zinc/09/43/26/563094326.db2.gz	WBLJYUKZFFAHGN-UHFFFAOYSA-N	-1	3	488.516	3.545	1	5		JHBFHM
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CCC(N4CCCCC4)CC3)cc21	ZINC000040866695	563151217	/nfs/dbraw/zinc/15/12/17/563151217.db2.gz	ACTDDJNSODLSTK-UHFFFAOYSA-N	-1	3	456.543	3.818	1	5		JHBFHM
CO[C@@H]1[C@H]2CO[C@@H]1[C@H]1[C@@H](O2)n2c3ccccc3c3c4c(c5c6ccccc6n1c5c32)C(=O)[N-]C4=O	ZINC000028762624	563078336	/nfs/dbraw/zinc/07/83/36/563078336.db2.gz	GCSXVDLLUWXSDA-SFSUPHRBSA-N	-1	3	465.465	3.652	1	5		JHBFHM
CNC(=O)[C@@H]1C[C@@H]2O[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O	ZINC000003784280	562927990	/nfs/dbraw/zinc/92/79/90/562927990.db2.gz	YQCJJWWEGOLALX-MTOJNIIGSA-N	-1	3	450.454	3.579	1	5		JHBFHM
O=c1[n-][nH]c(=O)c2c1cc1c(Br)cc3c(c1c2-c1ccc2c(c1)OCO2)OCO3	ZINC000028111965	563056473	/nfs/dbraw/zinc/05/64/73/563056473.db2.gz	RWBKNYRZAQKOQS-UHFFFAOYSA-N	-1	3	455.220	3.669	1	5		JHBFHM
CCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000013832660	562999832	/nfs/dbraw/zinc/99/98/32/562999832.db2.gz	VGNQJXPQAWIFKN-UHFFFAOYSA-N	-1	3	482.504	3.790	1	5		JHBFHM
CCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000013832660	562999833	/nfs/dbraw/zinc/99/98/33/562999833.db2.gz	VGNQJXPQAWIFKN-UHFFFAOYSA-N	-1	3	482.504	3.790	1	5		JHBFHM
CC(=O)c1ccc(C=CC(=O)N(CC(N)=O)c2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3[O-])cc2)cc1	ZINC000049109595	563202123	/nfs/dbraw/zinc/20/21/23/563202123.db2.gz	OMYZTUFUEFHSCF-YIXHJXPBSA-N	-1	3	499.483	3.583	1	5		JHBFHM