smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)n1-c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072216785	257125509	/nfs/dbraw/zinc/12/55/09/257125509.db2.gz	MUBRGFMPKUETEC-LJQANCHMSA-N	1	1	311.473	4.672	40	10		DJCBMO
Nc1ccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)cc1	ZINC000064875341	257128334	/nfs/dbraw/zinc/12/83/34/257128334.db2.gz	VDYQREZXDGORDO-UHFFFAOYSA-N	1	1	303.287	4.579	40	10		DJCBMO
Nc1ccc(/N=N\c2cccc3c2Oc2ccccc2O3)c(N)[nH+]1	ZINC000104229738	563563376	/nfs/dbraw/zinc/56/33/76/563563376.db2.gz	WWWIHMIRJCCOJK-DQRAZIAOSA-N	1	1	319.324	4.559	40	10		DJCBMO
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072216844	257125506	/nfs/dbraw/zinc/12/55/06/257125506.db2.gz	JEYGHXOLGQMURT-IBGZPJMESA-N	1	1	311.473	4.672	40	10		DJCBMO
CCCC[N@H+]1CCCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216787	257125326	/nfs/dbraw/zinc/12/53/26/257125326.db2.gz	RZGBXBGDPLRBIA-IBGZPJMESA-N	1	1	311.473	4.816	40	10		DJCBMO
CCCC[N@H+]1CCCC[C@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216847	257125449	/nfs/dbraw/zinc/12/54/49/257125449.db2.gz	CXTYDZPDGXNLNI-IBGZPJMESA-N	1	1	311.473	4.816	40	10		DJCBMO
Cc1ccc(C)n1-c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072216784	257125078	/nfs/dbraw/zinc/12/50/78/257125078.db2.gz	MUBRGFMPKUETEC-IBGZPJMESA-N	1	1	311.473	4.672	40	10		DJCBMO
Oc1ccccc1C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1	ZINC000001441948	563283451	/nfs/dbraw/zinc/28/34/51/563283451.db2.gz	CVCRDACYBPOIIW-UHFFFAOYSA-N	1	1	321.395	4.734	40	10		DJCBMO
Nc1ccc(/N=N/c2cccc3c2Oc2ccccc2O3)c(N)[nH+]1	ZINC000017139598	182077184	/nfs/dbraw/zinc/07/71/84/182077184.db2.gz	WWWIHMIRJCCOJK-QURGRASLSA-N	1	1	319.324	4.559	40	10		DJCBMO
CCCC[N@H+]1CCCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216786	257125060	/nfs/dbraw/zinc/12/50/60/257125060.db2.gz	RZGBXBGDPLRBIA-LJQANCHMSA-N	1	1	311.473	4.816	40	10		DJCBMO
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072216845	257125600	/nfs/dbraw/zinc/12/56/00/257125600.db2.gz	JEYGHXOLGQMURT-LJQANCHMSA-N	1	1	311.473	4.672	40	10		DJCBMO
CCCC[N@H+]1CCCC[C@@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216846	257125622	/nfs/dbraw/zinc/12/56/22/257125622.db2.gz	CXTYDZPDGXNLNI-LJQANCHMSA-N	1	1	311.473	4.816	40	10		DJCBMO