smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c[nH]nc1N1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000022239232	182314747	/nfs/dbraw/zinc/31/47/47/182314747.db2.gz	YVURVKVKSQFJOG-UHFFFAOYSA-N	1	2	321.768	2.294	40	5		DEBBLO
CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329018951	404202832	/nfs/dbraw/zinc/20/28/32/404202832.db2.gz	NUFFKQBEUWPGSL-UHFFFAOYSA-N	1	2	317.324	2.421	40	5		DEBBLO
COc1c(C(=O)N2CC[NH+](C)CC2)cc(C(C)C)cc1[N+](=O)[O-]	ZINC000072206673	191077277	/nfs/dbraw/zinc/07/72/77/191077277.db2.gz	OINOBDCQMHWTEB-UHFFFAOYSA-N	1	2	321.377	2.114	40	5		DEBBLO
O=[N+]([O-])c1cccc(F)c1N1CCN(c2cccc[nH+]2)CC1	ZINC000258834436	539787060	/nfs/dbraw/zinc/78/70/60/539787060.db2.gz	PBLBQJIOJMHZDE-UHFFFAOYSA-N	1	2	302.309	2.456	40	5		DEBBLO
[NH3+][C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccc1	ZINC000095533454	402034124	/nfs/dbraw/zinc/03/41/24/402034124.db2.gz	ACULLFMEEVVNPB-HNNXBMFYSA-N	1	2	309.329	2.352	40	5		DEBBLO
[NH3+][C@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccccc1	ZINC000095533454	402034125	/nfs/dbraw/zinc/03/41/25/402034125.db2.gz	ACULLFMEEVVNPB-HNNXBMFYSA-N	1	2	309.329	2.352	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000408571041	227245067	/nfs/dbraw/zinc/24/50/67/227245067.db2.gz	MZRZYBDAHWLRJT-QXHJTNOSSA-N	1	2	323.352	2.255	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000408571041	227245072	/nfs/dbraw/zinc/24/50/72/227245072.db2.gz	MZRZYBDAHWLRJT-QXHJTNOSSA-N	1	2	323.352	2.255	40	5		DEBBLO
Cc1ccc2ncc3c(N)[nH+]c(N)c(C(=O)N4CCCC4)c3c2c1	ZINC000224841490	292397854	/nfs/dbraw/zinc/39/78/54/292397854.db2.gz	WFQRTYXTARQKCH-UHFFFAOYSA-N	1	2	321.384	2.492	40	5		DEBBLO
CNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000329014402	404200128	/nfs/dbraw/zinc/20/01/28/404200128.db2.gz	MVYALCDGMFZGKJ-UHFFFAOYSA-N	1	2	303.297	2.030	40	5		DEBBLO
CNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329041987	404210681	/nfs/dbraw/zinc/21/06/81/404210681.db2.gz	SMAFGOWZPXQUSL-UHFFFAOYSA-N	1	2	303.297	2.030	40	5		DEBBLO
[NH3+][C@H](c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1)c1ccccc1	ZINC000095533478	402034037	/nfs/dbraw/zinc/03/40/37/402034037.db2.gz	AQLKUZJDVJBJEN-ZDUSSCGKSA-N	1	2	311.301	2.134	40	5		DEBBLO
O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(F)c1	ZINC000042096451	354188036	/nfs/dbraw/zinc/18/80/36/354188036.db2.gz	JAHOODMAAQVXGI-UHFFFAOYSA-N	1	2	302.309	2.456	40	5		DEBBLO
Cc1cc([N+](=O)[O-])cc(Br)c1N1CC[NH+](C)CC1	ZINC000045885968	280655571	/nfs/dbraw/zinc/65/55/71/280655571.db2.gz	JGLFBZGIKLHBQS-UHFFFAOYSA-N	1	2	314.183	2.418	40	5		DEBBLO
COc1ncc(Br)c(/C=C/[NH+](C)C)c1[N+](=O)[O-]	ZINC000090555753	401984918	/nfs/dbraw/zinc/98/49/18/401984918.db2.gz	BNKMXMCVPWPRMR-SNAWJCMRSA-N	1	2	302.128	2.293	40	5		DEBBLO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH+]1CCOCC1	ZINC000039956415	183024343	/nfs/dbraw/zinc/02/43/43/183024343.db2.gz	WTTCUSAGGUIKRY-UHFFFAOYSA-N	1	2	319.283	2.358	40	5		DEBBLO
[NH3+][C@@H](c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1)c1ccccc1	ZINC000095533479	402034048	/nfs/dbraw/zinc/03/40/48/402034048.db2.gz	AQLKUZJDVJBJEN-CYBMUJFWSA-N	1	2	311.301	2.134	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000408571042	227245231	/nfs/dbraw/zinc/24/52/31/227245231.db2.gz	MZRZYBDAHWLRJT-SLBDDTMCSA-N	1	2	323.352	2.255	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000408571042	227245236	/nfs/dbraw/zinc/24/52/36/227245236.db2.gz	MZRZYBDAHWLRJT-SLBDDTMCSA-N	1	2	323.352	2.255	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccccc1	ZINC000408571040	227245252	/nfs/dbraw/zinc/24/52/52/227245252.db2.gz	MZRZYBDAHWLRJT-PUOKJFKWSA-N	1	2	323.352	2.255	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1	ZINC000408571040	227245256	/nfs/dbraw/zinc/24/52/56/227245256.db2.gz	MZRZYBDAHWLRJT-PUOKJFKWSA-N	1	2	323.352	2.255	40	5		DEBBLO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000226316794	402327039	/nfs/dbraw/zinc/32/70/39/402327039.db2.gz	OOWRXNOAAZRBHN-UHFFFAOYSA-N	1	2	314.183	2.499	40	5		DEBBLO
Cc1cc(Br)c(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000045886107	401963216	/nfs/dbraw/zinc/96/32/16/401963216.db2.gz	NTLULBMUINFHGV-UHFFFAOYSA-N	1	2	314.183	2.418	40	5		DEBBLO
CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000329023425	404205450	/nfs/dbraw/zinc/20/54/50/404205450.db2.gz	OTEXWLTWYKNQDR-UHFFFAOYSA-N	1	2	317.324	2.421	40	5		DEBBLO
[NH3+][C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccc1	ZINC000095533455	402034156	/nfs/dbraw/zinc/03/41/56/402034156.db2.gz	ACULLFMEEVVNPB-OAHLLOKOSA-N	1	2	309.329	2.352	40	5		DEBBLO
[NH3+][C@@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccccc1	ZINC000095533455	402034157	/nfs/dbraw/zinc/03/41/57/402034157.db2.gz	ACULLFMEEVVNPB-OAHLLOKOSA-N	1	2	309.329	2.352	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccccc1	ZINC000408571039	227244874	/nfs/dbraw/zinc/24/48/74/227244874.db2.gz	MZRZYBDAHWLRJT-PLDPNSPWSA-N	1	2	323.352	2.255	40	5		DEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1	ZINC000408571039	227244880	/nfs/dbraw/zinc/24/48/80/227244880.db2.gz	MZRZYBDAHWLRJT-PLDPNSPWSA-N	1	2	323.352	2.255	40	5		DEBBLO
O=[N+]([O-])c1cc(F)cc(N2CCN(c3cccc[nH+]3)CC2)c1	ZINC000258834216	563567791	/nfs/dbraw/zinc/56/77/91/563567791.db2.gz	OPWCYJCOPUYPIP-UHFFFAOYSA-N	1	2	302.309	2.456	40	5		DEBBLO
O=[N+]([O-])c1cc(F)ccc1N1CCN(c2cccc[nH+]2)CC1	ZINC000008177748	280360521	/nfs/dbraw/zinc/36/05/21/280360521.db2.gz	BQNCJTDXQCHYNL-UHFFFAOYSA-N	1	2	302.309	2.456	40	5		DEBBLO
CC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000045886536	276202597	/nfs/dbraw/zinc/20/25/97/276202597.db2.gz	BSVNDHLTAJGLPH-UHFFFAOYSA-N	1	2	314.729	2.298	40	5		DEBBLO
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCn1cc[nH+]c1	ZINC000005286175	401729812	/nfs/dbraw/zinc/72/98/12/401729812.db2.gz	WMBZFQCBUMFJEE-QPJJXVBHSA-N	1	2	300.318	2.011	40	5		DEBBLO