smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=[NH2+])NC1=[NH+]CCCCC1	72406652	166058136	/nfs/dbraw/zinc/05/81/36/166058136.db2.gz	NNIBUBKFFCVZML-UHFFFAOYSA-N	2	2	153.229	1.336	50	30		ADEALP
C=C(C)C[N@@H+](CC)C1CC[NH+](C)CC1	279504	166119690	/nfs/dbraw/zinc/11/96/90/166119690.db2.gz	INBIKHWZWSXTRI-UHFFFAOYSA-N	2	2	196.338	1.979	50	30		ADEALP
C=C(C)C[N@H+](CC)C1CC[NH+](C)CC1	279504	166119692	/nfs/dbraw/zinc/11/96/92/166119692.db2.gz	INBIKHWZWSXTRI-UHFFFAOYSA-N	2	2	196.338	1.979	50	30		ADEALP
C=CC[NH+](CC=C)[C@H](C[NH3+])C(C)C	20281223	166174782	/nfs/dbraw/zinc/17/47/82/166174782.db2.gz	JIJJWYKEHYXNIF-LLVKDONJSA-N	2	2	182.311	1.644	50	30		ADEALP
C=CC[NH+](CC=C)[C@H]1CCC[NH2+]C1	42783275	166176978	/nfs/dbraw/zinc/17/69/78/166176978.db2.gz	XIKWNSBQPNZOKW-NSHDSACASA-N	2	2	180.295	1.412	50	30		ADEALP
C=CC[NH+](CC=C)[C@@H]1CCC[NH2+]C1	42783274	166177612	/nfs/dbraw/zinc/17/76/12/166177612.db2.gz	XIKWNSBQPNZOKW-LLVKDONJSA-N	2	2	180.295	1.412	50	30		ADEALP
C=CC[NH+](CC=C)[C@@H](C[NH3+])C(C)C	20281227	166177984	/nfs/dbraw/zinc/17/79/84/166177984.db2.gz	JIJJWYKEHYXNIF-NSHDSACASA-N	2	2	182.311	1.644	50	30		ADEALP
CC1CC[NH+](CCC/C(N)=[NH+]/O)CC1	19473804	343055446	/nfs/dbraw/zinc/05/54/46/343055446.db2.gz	VLUDAIUIUQFXCX-UHFFFAOYSA-N	2	2	199.298	1.245	50	30	in-vitro	ADEALP
CCC[NH+]1CCC(C/C(N)=[NH+]/O)CC1	67425345	343410748	/nfs/dbraw/zinc/41/07/48/343410748.db2.gz	TYYJOJLGJFSJMB-UHFFFAOYSA-N	2	2	199.298	1.245	50	30		ADEALP