smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCCCCCC[NH2+]CCCCCCC[NH3+]	ZINC000013742470	170586118	/nfs/dbraw/zinc/58/61/18/170586118.db2.gz	XBOOVSVCAFZORW-UHFFFAOYSA-N	3	0	285.480	1.709	1	30		CDEFRP
O/N=C/c1cc[n+](C/C=C/C[n+]2ccc(/C=N/O)cc2)cc1	ZINC000006091538	170174982	/nfs/dbraw/zinc/17/49/82/170174982.db2.gz	OGANKUBQSKACFA-OWOJBTEDSA-P	2	0	298.346	1.134	1	30		CDEFRP
CCCCCC[C@H]([NH3+])C(=O)N(O)CC[N+](C)(C)C	ZINC000064560802	717132718	/nfs/dbraw/zinc/13/27/18/717132718.db2.gz	CPQBXFLJDQBWMH-LBPRGKRZSA-N	2	0	260.402	1.208	1	30		CDEFRP
CCCCCC[C@@H]([NH3+])C(=O)N(O)CC[N+](C)(C)C	ZINC000064560804	717132486	/nfs/dbraw/zinc/13/24/86/717132486.db2.gz	CPQBXFLJDQBWMH-GFCCVEGCSA-N	2	0	260.402	1.208	1	30		CDEFRP
Cc1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1	ZINC000066167118	525701224	/nfs/dbraw/zinc/70/12/24/525701224.db2.gz	SCQPIVNNERDGNI-UHFFFAOYSA-O	2	0	257.337	1.468	1	30		CDEFRP
CCCNC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1	ZINC000005781444	170140103	/nfs/dbraw/zinc/14/01/03/170140103.db2.gz	CJJMEOOXAVSNFL-UHFFFAOYSA-N	2	0	253.737	1.791	1	30		CDEFRP
CCCCCC[C@@H]([NH3+])C(=O)N(O)CCC[N+](C)(C)C	ZINC000064560764	717132658	/nfs/dbraw/zinc/13/26/58/717132658.db2.gz	WAXOWLUSUKWEMC-CYBMUJFWSA-N	2	0	274.429	1.598	1	30		CDEFRP
N#Cc1cc[n+](CCC[n+]2ccc(/C=N\O)cc2)cc1	ZINC000040753041	174395581	/nfs/dbraw/zinc/39/55/81/174395581.db2.gz	WPHGDUMDVKMTPM-UHFFFAOYSA-O	2	0	268.320	1.032	1	30		CDEFRP
CC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1	ZINC000066166285	518294700	/nfs/dbraw/zinc/29/47/00/518294700.db2.gz	ZWWBGLSTYRLCEX-UHFFFAOYSA-O	2	0	285.347	1.363	1	30		CDEFRP
CCCCCC[C@@H]([NH3+])C(=O)N(O)CCC[NH+](C)C	ZINC000064549755	520123041	/nfs/dbraw/zinc/12/30/41/520123041.db2.gz	MTOMIVCRWWFKNB-GFCCVEGCSA-N	2	0	259.394	1.454	1	30		CDEFRP
CCCCCC[C@H]([NH3+])C(=O)N(O)CCC[N+](C)(C)C	ZINC000064560762	717132418	/nfs/dbraw/zinc/13/24/18/717132418.db2.gz	WAXOWLUSUKWEMC-ZDUSSCGKSA-N	2	0	274.429	1.598	1	30		CDEFRP