smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC[N+](CC)(CC)CC)c1ccc(OCC[N+](CC)(CC)CC)cc1	ZINC000005322111	204125900	/nfs/dbraw/zinc/12/59/00/204125900.db2.gz	CTHSSGWOMTZEQB-UHFFFAOYSA-N	2	0	393.660	4.645	40	10		GJCBRP
CC1CC[NH+](Cc2c(O)c(O)c(C[NH+]3CCC(C)CC3)c3ccccc32)CC1	ZINC000096305854	570228354	/nfs/dbraw/zinc/22/83/54/570228354.db2.gz	GZDQZNIZCWDFPG-UHFFFAOYSA-N	2	0	382.548	4.715	40	10		GJCBRP
C[C@H]([NH2+]Cc1cc(O)c(C[NH2+][C@@H](C)c2ccccc2)cc1O)c1ccccc1	ZINC000001680966	570267108	/nfs/dbraw/zinc/26/71/08/570267108.db2.gz	LWEZAHAWRCMFBJ-ROUUACIJSA-N	2	0	376.500	4.799	40	10		GJCBRP
CC[C@@H](c1ccc(C[NH+](C)C)c(O)c1)[C@@H](CC)c1ccc(C[NH+](C)C)c(O)c1	ZINC000001607576	570265660	/nfs/dbraw/zinc/26/56/60/570265660.db2.gz	XAEVFZKBFMVECB-VXKWHMMOSA-N	2	0	384.564	4.908	40	10		GJCBRP
CC[C@@H](c1ccc(C[NH+](C)C)c(O)c1)[C@H](CC)c1ccc(C[NH+](C)C)c(O)c1	ZINC000001607577	209333954	/nfs/dbraw/zinc/33/39/54/209333954.db2.gz	XAEVFZKBFMVECB-SZPZYZBQSA-N	2	0	384.564	4.908	40	10		GJCBRP
CC[C@H](c1ccc(C[NH+](C)C)c(O)c1)[C@H](CC)c1ccc(C[NH+](C)C)c(O)c1	ZINC000001607579	570265676	/nfs/dbraw/zinc/26/56/76/570265676.db2.gz	XAEVFZKBFMVECB-FGZHOGPDSA-N	2	0	384.564	4.908	40	10		GJCBRP
Cc1cc(C)c(O)c(C[NH2+]CCCCCC[NH2+]Cc2cc(C)cc(C)c2O)c1	ZINC000001718687	206390545	/nfs/dbraw/zinc/39/05/45/206390545.db2.gz	UVIIKTJVIBKCLR-UHFFFAOYSA-N	2	0	384.564	4.771	40	10		GJCBRP
C[C@@H]([NH2+]Cc1cc(O)c(C[NH2+][C@@H](C)c2ccccc2)cc1O)c1ccccc1	ZINC000001680967	206390624	/nfs/dbraw/zinc/39/06/24/206390624.db2.gz	LWEZAHAWRCMFBJ-HDICACEKSA-N	2	0	376.500	4.799	40	10		GJCBRP
C[C@@H]([NH2+]Cc1cc(O)c(C[NH2+][C@H](C)c2ccccc2)cc1O)c1ccccc1	ZINC000001680969	206389586	/nfs/dbraw/zinc/38/95/86/206389586.db2.gz	LWEZAHAWRCMFBJ-QZTJIDSGSA-N	2	0	376.500	4.799	40	10		GJCBRP
CC[N@H+](CCO)Cc1cc(Nc2c3ccccc3[nH+]c3ccccc32)ccc1O	ZINC000004366365	570371127	/nfs/dbraw/zinc/37/11/27/570371127.db2.gz	YETIACSWUXENPF-UHFFFAOYSA-N	2	0	387.483	4.651	40	10		GJCBRP
CC[NH+](CC)Cc1cc(Nc2cc(C)[nH+]c3ccc(N(C)C)cc23)ccc1O	ZINC000001755462	206391348	/nfs/dbraw/zinc/39/13/48/206391348.db2.gz	YASTXPADONSZRQ-UHFFFAOYSA-N	2	0	378.520	4.900	40	10		GJCBRP