smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](CC)[C@@H](C#C[C@@H]([C@@H](CC)CCCC)[NH+](C)C)[NH+](C)C	ZINC000004409539	210189161	/nfs/dbraw/zinc/18/91/61/210189161.db2.gz	RJLGGVZDIXQSOC-COPRSSIGSA-N	2	0	336.608	5.283	40	30		EKEBRP
CCCC[C@H](CC)[C@H](C#C[C@H]([C@@H](CC)CCCC)[NH+](C)C)[NH+](C)C	ZINC000004409541	210188594	/nfs/dbraw/zinc/18/85/94/210188594.db2.gz	RJLGGVZDIXQSOC-MYGLTJDJSA-N	2	0	336.608	5.283	40	30		EKEBRP
CCCC[C@@H](CC)[C@H](C#C[C@@H]([C@@H](CC)CCCC)[NH+](C)C)[NH+](C)C	ZINC000004409542	210188782	/nfs/dbraw/zinc/18/87/82/210188782.db2.gz	RJLGGVZDIXQSOC-LRSLUSHPSA-N	2	0	336.608	5.283	40	30		EKEBRP
CCCC[C@H](CC)[C@H](C#C[C@@H]([C@@H](CC)CCCC)[NH+](C)C)[NH+](C)C	ZINC000004409543	210188452	/nfs/dbraw/zinc/18/84/52/210188452.db2.gz	RJLGGVZDIXQSOC-CMOCDZPBSA-N	2	0	336.608	5.283	40	30		EKEBRP
C[NH+](C)CCCCn1c2ccccc2[s+]c2ccc(=NN=N)cc1-2	ZINC000016958795	563827300	/nfs/dbraw/zinc/82/73/00/563827300.db2.gz	YNVQLTVBLZFJHB-UHFFFAOYSA-N	2	0	339.468	5.573	40	30		EKEBRP
C(=C\c1ccccc1)\C=[NH+]/CCCCCC/[NH+]=C\C=C/c1ccccc1	ZINC000103615048	563983423	/nfs/dbraw/zinc/98/34/23/563983423.db2.gz	ATPFMBHTMKBVLS-GPYGIZTFSA-N	2	0	344.502	6.115	40	30		EKEBRP
C(=C/c1ccccc1)\C=[NH+]/CCCCCC/[NH+]=C\C=C/c1ccccc1	ZINC000103615051	564177285	/nfs/dbraw/zinc/17/72/85/564177285.db2.gz	ATPFMBHTMKBVLS-SMAHQDBRSA-N	2	0	344.502	6.115	40	30		EKEBRP
CCCCCCCC[N+]12CC[N+](CCCCCCCC)(CC1)CC2	ZINC000104205419	219360837	/nfs/dbraw/zinc/36/08/37/219360837.db2.gz	NGYAZRSDBXAPKG-UHFFFAOYSA-N	2	0	338.624	5.368	40	30		EKEBRP