smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+](CC#CCN)C(C)C	75172904	343576039	/nfs/dbraw/zinc/57/60/39/343576039.db2.gz	KUCWBDYXZADOJG-UHFFFAOYSA-N	1	3	168.284	1.067	50	30		ADEAHO
C(#CC[NH+]1CCCC1)CN1CCCC1	1599821	166044103	/nfs/dbraw/zinc/04/41/03/166044103.db2.gz	JSUAJTLKVREZHV-UHFFFAOYSA-N	1	3	192.306	1.181	50	30	in-vitro	ADEAHO
C=CCN[C@H](C[NH+]1CCCC1)C(C)C	38536709	166192348	/nfs/dbraw/zinc/19/23/48/166192348.db2.gz	VIAFJVURSLZBJK-GFCCVEGCSA-N	1	3	196.338	1.882	50	30	in-vitro	ADEAHO
CCN(CC)CC#CC[NH+](CC)CC	1655633	167164767	/nfs/dbraw/zinc/16/47/67/167164767.db2.gz	ZSHOGSSMVWJOGA-UHFFFAOYSA-N	1	3	196.338	1.673	50	30		ADEAHO
CC(/C=C/N(C)C)=C\C=[N+](C)C	16136511	171167529	/nfs/dbraw/zinc/16/75/29/171167529.db2.gz	JPSSBNYRQGFIBI-UHFFFAOYSA-N	1	3	167.276	1.351	50	30		ADEAHO
CCCCCCC[NH2+]CCCN	100016234	343708763	/nfs/dbraw/zinc/70/87/63/343708763.db2.gz	UHXUEZPLIAEIMQ-UHFFFAOYSA-N	1	3	172.316	1.895	50	30		ADEAHO