smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005010639	170055452	/nfs/dbraw/zinc/05/54/52/170055452.db2.gz	WWNKWWZKEHPLLQ-UHFFFAOYSA-N	1	0	288.325	5.271	10	10		CKCERO
CNc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005318801	170085403	/nfs/dbraw/zinc/08/54/03/170085403.db2.gz	SVIPDPNCURSLKO-UHFFFAOYSA-N	1	0	299.377	5.173	10	10		CKCERO
CCCCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000005820290	170144000	/nfs/dbraw/zinc/14/40/00/170144000.db2.gz	PVGNKKWEHUZWDD-UHFFFAOYSA-N	1	0	278.399	5.380	10	10		CKCERO
C[N+](C)(C)c1ccc(/C=C/C=C/C=C\c2ccccc2)cc1	ZINC000006068178	170173777	/nfs/dbraw/zinc/17/37/77/170173777.db2.gz	RHDOPAJODJADMB-CWJKABCGSA-N	1	0	290.430	5.166	10	10		CKCERO
N#[N+]c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000006092646	170175567	/nfs/dbraw/zinc/17/55/67/170175567.db2.gz	AXRABTSOEPHSNY-WUKNDPDISA-N	1	0	288.674	5.148	10	10		CKCERO
C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1cccs1	ZINC000020148271	171036349	/nfs/dbraw/zinc/03/63/49/171036349.db2.gz	VZXXKQFQBKIVAN-QWHCGFSZSA-N	1	0	297.423	5.019	10	10		CKCERO
C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1cccs1	ZINC000020148272	171035734	/nfs/dbraw/zinc/03/57/34/171035734.db2.gz	VZXXKQFQBKIVAN-STQMWFEESA-N	1	0	297.423	5.019	10	10		CKCERO
C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)c1cccs1	ZINC000020148273	171036427	/nfs/dbraw/zinc/03/64/27/171036427.db2.gz	VZXXKQFQBKIVAN-CHWSQXEVSA-N	1	0	297.423	5.019	10	10		CKCERO
C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc2ccccc2c1O	ZINC000020148274	171035908	/nfs/dbraw/zinc/03/59/08/171035908.db2.gz	VZXXKQFQBKIVAN-OLZOCXBDSA-N	1	0	297.423	5.019	10	10		CKCERO
C[N+](C)(C)c1ccc(/C=C\C=C/C=C\c2ccccc2)cc1	ZINC000031392853	717120055	/nfs/dbraw/zinc/12/00/55/717120055.db2.gz	RHDOPAJODJADMB-RPWWYDMYSA-N	1	0	290.430	5.166	10	10		CKCERO
C[N+](C)(C)c1ccc(/C=C/C=C\C=C/c2ccccc2)cc1	ZINC000031392857	717119900	/nfs/dbraw/zinc/11/99/00/717119900.db2.gz	RHDOPAJODJADMB-LDRBPDHVSA-N	1	0	290.430	5.166	10	10		CKCERO
C[N+](C)(C)c1ccc(/C=C\C=C\C=C/c2ccccc2)cc1	ZINC000031392862	717119911	/nfs/dbraw/zinc/11/99/11/717119911.db2.gz	RHDOPAJODJADMB-NULIJPOASA-N	1	0	290.430	5.166	10	10		CKCERO
C[N+](C)(C)c1ccc(/C=C\C=C\C=C\c2ccccc2)cc1	ZINC000071792258	717133779	/nfs/dbraw/zinc/13/37/79/717133779.db2.gz	RHDOPAJODJADMB-KNSNITAKSA-N	1	0	290.430	5.166	10	10		CKCERO