smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[N+](C)(C)C1CCC([N+](C)(C)CCCCC)CC1	ZINC000606421947	563743468	/nfs/dbraw/zinc/74/34/68/563743468.db2.gz	AOUOKJSCRGVWPF-UHFFFAOYSA-N	2	0	312.586	4.831	50	5		DJBARP
CCCC[N+]1(CCCC[N+]2(CCCC)CCCC2)CCCC1	ZINC000118545122	563614357	/nfs/dbraw/zinc/61/43/57/563614357.db2.gz	UCPIMWRORWWBFB-UHFFFAOYSA-N	2	0	310.570	4.588	50	5		DJBARP
CCC[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000252462859	563915277	/nfs/dbraw/zinc/91/52/77/563915277.db2.gz	WUIPOABWRCWMQU-XMMPIXPASA-N	2	0	319.472	4.664	50	5	biogenic	DJBARP
CC(C)[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000247694611	563537062	/nfs/dbraw/zinc/53/70/62/563537062.db2.gz	YQHXJMWEQOYPRY-DEOSSOPVSA-N	2	0	319.472	4.663	50	5	biogenic	DJBARP
CCCC[N+]1(CCCC)CC[N+](CCCC)(CCCC)CC1	ZINC000005591153	181261116	/nfs/dbraw/zinc/26/11/16/181261116.db2.gz	PQYJRJTTZCUBIZ-UHFFFAOYSA-N	2	0	312.586	4.834	50	5		DJBARP
CCC[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000252462858	563915359	/nfs/dbraw/zinc/91/53/59/563915359.db2.gz	WUIPOABWRCWMQU-DEOSSOPVSA-N	2	0	319.472	4.664	50	5	biogenic	DJBARP
CCC(CC)C[N+](C)(C)CCCC[N+](C)(C)CC(CC)CC	ZINC000606422369	563743384	/nfs/dbraw/zinc/74/33/84/563743384.db2.gz	YYIVRALSSSSSBQ-UHFFFAOYSA-N	2	0	314.602	4.792	50	5		DJBARP
C[N+]1(CCCCCCC[N+]2(C)CCCCCC2)CCCCCC1	ZINC000004426199	181109263	/nfs/dbraw/zinc/10/92/63/181109263.db2.gz	LELKEOCWQWHQJJ-UHFFFAOYSA-N	2	0	324.597	4.978	50	5		DJBARP
CCCC[N+]1(CCCCC[N+]2(CCCC)CCCC2)CCCC1	ZINC000071772115	563557883	/nfs/dbraw/zinc/55/78/83/563557883.db2.gz	QYSOYWPRQLVMEA-UHFFFAOYSA-N	2	0	324.597	4.978	50	5		DJBARP
CC(C)[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000247694612	563538111	/nfs/dbraw/zinc/53/81/11/563538111.db2.gz	YQHXJMWEQOYPRY-XMMPIXPASA-N	2	0	319.472	4.663	50	5	biogenic	DJBARP
Cc1cc(NCC[NH+]2CCCCC2)c2ccc3ccccc3c2[nH+]1	ZINC000000099043	563539436	/nfs/dbraw/zinc/53/94/36/563539436.db2.gz	QITUAKDIBCEXLI-UHFFFAOYSA-N	2	0	319.452	4.594	50	5		DJBARP