smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH2+]CC1	ZINC000037538095	1170954439	/nfs/dbraw/zinc/95/44/39/1170954439.db2.gz	QDEDVIUCRHRQJM-UHFFFAOYSA-N	2	1	243.354	2.132	40	30		BEEBMP
C[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)C2)C1	ZINC000005742841	177096112	/nfs/dbraw/zinc/09/61/12/177096112.db2.gz	JLVLYPRQDMRODM-HOTGVXAUSA-N	2	1	248.414	2.454	40	30		BEEBMP
C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)C2)C1	ZINC000005742840	177096411	/nfs/dbraw/zinc/09/64/11/177096411.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	2	1	248.414	2.454	40	30		BEEBMP
C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)C2)C1	ZINC000005742840	177096412	/nfs/dbraw/zinc/09/64/12/177096412.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	2	1	248.414	2.454	40	30		BEEBMP
C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)C2)C1	ZINC000005742840	177096413	/nfs/dbraw/zinc/09/64/13/177096413.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	2	1	248.414	2.454	40	30		BEEBMP
C=CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1	ZINC000057362369	386243096	/nfs/dbraw/zinc/24/30/96/386243096.db2.gz	QQFAIHHJHTZQJZ-UHFFFAOYSA-N	2	1	248.370	2.293	40	30		BEEBMP