smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000172020938	510502773	/nfs/dbraw/zinc/50/27/73/510502773.db2.gz	UMHLEINBFIVVCT-CYBMUJFWSA-N	2	0	355.866	2.773	10	5		FFBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000178015587	510377915	/nfs/dbraw/zinc/37/79/15/510377915.db2.gz	JKIQQTSUUYKKSL-CYBMUJFWSA-N	2	0	355.866	2.773	10	5		FFBERP
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](CNc2ccccn2)C1	ZINC000246184680	510345416	/nfs/dbraw/zinc/34/54/16/510345416.db2.gz	VLIJUIHNWOWOFZ-GJZGRUSLSA-N	2	0	369.425	2.751	10	5		FFBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000182140578	510778779	/nfs/dbraw/zinc/77/87/79/510778779.db2.gz	DMKYSAWZBBQXBY-ZDUSSCGKSA-N	2	0	355.866	2.773	10	5		FFBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000172179227	510585712	/nfs/dbraw/zinc/58/57/12/510585712.db2.gz	PAIVFPJTOVJCIH-ZDUSSCGKSA-N	2	0	355.866	2.773	10	5		FFBERP
Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000245899646	510195894	/nfs/dbraw/zinc/19/58/94/510195894.db2.gz	AQEZSAOLUPZNHS-CXAGYDPISA-N	2	0	357.414	2.591	10	5		FFBERP
CC[NH+](CC)CCn1c2ccc([N+](=O)[O-])cc2nc1CC[NH+]1CCCC1	ZINC000002016521	210377118	/nfs/dbraw/zinc/37/71/18/210377118.db2.gz	ZXGSQGBIWPWWFL-UHFFFAOYSA-N	2	0	359.474	2.925	10	5		FFBERP
COc1ccc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-]	ZINC000190490186	510160630	/nfs/dbraw/zinc/16/06/30/510160630.db2.gz	ZJEIFHQOXXOZOX-GOSISDBHSA-N	2	0	370.453	2.952	10	5		FFBERP
CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000195285068	510760306	/nfs/dbraw/zinc/76/03/06/510760306.db2.gz	KRGBLFBFOAPYMM-IBGZPJMESA-N	2	0	354.454	2.986	10	5		FFBERP
O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000103143684	508298714	/nfs/dbraw/zinc/29/87/14/508298714.db2.gz	FPLGPDLMUXHJLL-UHFFFAOYSA-N	2	0	360.458	2.731	10	5		FFBERP
CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000175191532	510524072	/nfs/dbraw/zinc/52/40/72/510524072.db2.gz	QFFWXRISGSEHRV-OAHLLOKOSA-N	2	0	365.474	2.518	10	5		FFBERP
CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000175191555	510525090	/nfs/dbraw/zinc/52/50/90/510525090.db2.gz	QFFWXRISGSEHRV-HNNXBMFYSA-N	2	0	365.474	2.518	10	5		FFBERP
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](CNc2ccccn2)C1	ZINC000246184675	510346409	/nfs/dbraw/zinc/34/64/09/510346409.db2.gz	VLIJUIHNWOWOFZ-CABCVRRESA-N	2	0	369.425	2.751	10	5		FFBERP
CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000195285083	510759659	/nfs/dbraw/zinc/75/96/59/510759659.db2.gz	KRGBLFBFOAPYMM-LJQANCHMSA-N	2	0	354.454	2.986	10	5		FFBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000172020930	510502608	/nfs/dbraw/zinc/50/26/08/510502608.db2.gz	UMHLEINBFIVVCT-ZDUSSCGKSA-N	2	0	355.866	2.773	10	5		FFBERP
COc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-]	ZINC000190490163	510161525	/nfs/dbraw/zinc/16/15/25/510161525.db2.gz	ZJEIFHQOXXOZOX-SFHVURJKSA-N	2	0	370.453	2.952	10	5		FFBERP
O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1	ZINC000194540806	510414520	/nfs/dbraw/zinc/41/45/20/510414520.db2.gz	UIFDLFGRPQPFNG-UHFFFAOYSA-N	2	0	371.397	2.904	10	5		FFBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000178015571	510377215	/nfs/dbraw/zinc/37/72/15/510377215.db2.gz	JKIQQTSUUYKKSL-ZDUSSCGKSA-N	2	0	355.866	2.773	10	5		FFBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000182140598	510778354	/nfs/dbraw/zinc/77/83/54/510778354.db2.gz	DMKYSAWZBBQXBY-CYBMUJFWSA-N	2	0	355.866	2.773	10	5		FFBERP
O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000103143690	250137264	/nfs/dbraw/zinc/13/72/64/250137264.db2.gz	FPXTVQBZXQACGM-UHFFFAOYSA-N	2	0	360.458	2.731	10	5		FFBERP
Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000154542664	508805562	/nfs/dbraw/zinc/80/55/62/508805562.db2.gz	PREGGWWJPPEVLB-SUMWQHHRSA-N	2	0	357.414	2.591	10	5		FFBERP
C[NH+](C)CCCn1c2ccc([N+](=O)[O-])cc2nc1CC[NH+]1CCCCC1	ZINC000002016519	506271028	/nfs/dbraw/zinc/27/10/28/506271028.db2.gz	NBKWQZIMMAIXMI-UHFFFAOYSA-N	2	0	359.474	2.925	10	5		FFBERP
Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000154542562	508805619	/nfs/dbraw/zinc/80/56/19/508805619.db2.gz	PREGGWWJPPEVLB-GUYCJALGSA-N	2	0	357.414	2.591	10	5		FFBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000172179231	510586470	/nfs/dbraw/zinc/58/64/70/510586470.db2.gz	PAIVFPJTOVJCIH-CYBMUJFWSA-N	2	0	355.866	2.773	10	5		FFBERP
Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000245899648	510195659	/nfs/dbraw/zinc/19/56/59/510195659.db2.gz	AQEZSAOLUPZNHS-DYVFJYSZSA-N	2	0	357.414	2.591	10	5		FFBERP