smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNC(=[NH2+])C(=[NH2+])NCCCC	1656010	342954846	/nfs/dbraw/zinc/95/48/46/342954846.db2.gz	AUYAVOMJRPEXGT-UHFFFAOYSA-N	2	0	198.314	1.511	40	30		ADEBRP
C=CC[NH+](CC=C)CCC[NH3+]	20071228	166174425	/nfs/dbraw/zinc/17/44/25/166174425.db2.gz	PGBUHYFOFZNEPL-UHFFFAOYSA-N	2	0	154.257	1.009	40	30		ADEBRP
C=CC[NH+](CC=C)CCCC[NH3+]	20071226	166174434	/nfs/dbraw/zinc/17/44/34/166174434.db2.gz	PTITXFQECUVTQQ-UHFFFAOYSA-N	2	0	168.284	1.399	40	30		ADEBRP
CC(C)([NH3+])CCC(C)(C)[NH2+]CCC#N	1725042	166399719	/nfs/dbraw/zinc/39/97/19/166399719.db2.gz	XTSXEWXZRPMWPP-UHFFFAOYSA-N	2	0	197.326	1.786	40	30		ADEBRP
CC[NH+](CC)CC#CC[NH+](CC)CC	1655633	167164764	/nfs/dbraw/zinc/16/47/64/167164764.db2.gz	ZSHOGSSMVWJOGA-UHFFFAOYSA-N	2	0	196.338	1.673	40	30		ADEBRP
CC[NH+](CC)CCC[NH2+]CCS	4775706	167168340	/nfs/dbraw/zinc/16/83/40/167168340.db2.gz	IJULKCMXDPHZPY-UHFFFAOYSA-N	2	0	190.356	1.238	40	30		ADEBRP
C[S+](C)CCC[S+](C)C	5352862	171016343	/nfs/dbraw/zinc/01/63/43/171016343.db2.gz	BDALBUQEKWQKFM-UHFFFAOYSA-N	2	0	166.355	1.132	40	30		ADEBRP
C[NH+](C)CCCCCC[NH2+]CCC#N	1683326	342958114	/nfs/dbraw/zinc/95/81/14/342958114.db2.gz	CPLMVDBAKZDFOS-UHFFFAOYSA-N	2	0	197.326	1.612	40	30		ADEBRP
CC[C@H](C)NC(=[NH2+])C(=[NH2+])N[C@H](C)CC	1716312	342961593	/nfs/dbraw/zinc/96/15/93/342961593.db2.gz	HTAGTHUHMRCTEY-OCAPTIKFSA-N	2	0	198.314	1.507	40	30		ADEBRP
C=CC[NH+](CC=C)CCCCC[NH3+]	52376560	343306021	/nfs/dbraw/zinc/30/60/21/343306021.db2.gz	WNVGMXCNJOKRQU-UHFFFAOYSA-N	2	0	182.311	1.789	40	30		ADEBRP