smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+](C)CC1CC[NH2+]CC1	86702772	486882743	/nfs/dbraw/zinc/88/27/43/486882743.db2.gz	UULNUXZVLYTHQZ-UHFFFAOYSA-N	2	1	168.284	1.104	50	30		ADEAMP
C=CC[NH+](CC=C)C1CC[NH2+]CC1	42783290	166174063	/nfs/dbraw/zinc/17/40/63/166174063.db2.gz	HFYMOKHSZMXZCU-UHFFFAOYSA-N	2	1	180.295	1.412	50	30		ADEAMP
C=CC[NH+](CC=C)C[C@H]1CCC[NH2+]C1	21950453	166176061	/nfs/dbraw/zinc/17/60/61/166176061.db2.gz	PAPMCRXMURFCGV-LBPRGKRZSA-N	2	1	194.322	1.660	50	30		ADEAMP
C=CC[NH+](CC=C)C[C@@H]1CCC[NH2+]C1	21950451	166177179	/nfs/dbraw/zinc/17/71/79/166177179.db2.gz	PAPMCRXMURFCGV-GFCCVEGCSA-N	2	1	194.322	1.660	50	30		ADEAMP
C=CC[NH+](CC=C)C[C@H]1CC[NH2+]C1	42783406	166177269	/nfs/dbraw/zinc/17/72/69/166177269.db2.gz	VKIYPCUQQASGJO-NSHDSACASA-N	2	1	180.295	1.270	50	30		ADEAMP
C=CC[NH+](CC=C)C[C@@H]1CC[NH2+]C1	42783405	166177704	/nfs/dbraw/zinc/17/77/04/166177704.db2.gz	VKIYPCUQQASGJO-LLVKDONJSA-N	2	1	180.295	1.270	50	30		ADEAMP
C=CC[NH2+][C@H](C[NH+]1CCCC1)C(C)C	38536709	166192347	/nfs/dbraw/zinc/19/23/47/166192347.db2.gz	VIAFJVURSLZBJK-GFCCVEGCSA-N	2	1	196.338	1.882	50	30	in-vitro	ADEAMP
CCCCCCCC[NH2+]CC[NH3+]	22027805	171042253	/nfs/dbraw/zinc/04/22/53/171042253.db2.gz	UTPUPJKKYXJFPX-UHFFFAOYSA-N	2	1	172.316	1.895	50	30	in-vitro	ADEAMP
C[N@@H+](CC#CC[NH3+])Cc1ccccc1	75172913	343576100	/nfs/dbraw/zinc/57/61/00/343576100.db2.gz	OUCCNZVLAMGCDV-UHFFFAOYSA-N	2	1	188.274	1.081	50	30		ADEAMP