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[NH+](CC=C)C[C@@H](C)[NH3+]	20071250	166172521	/nfs/dbraw/zinc/17/25/21/166172521.db2.gz	AJCOYLQMTBCUQT-SECBINFHSA-N	2	2	154.257	1.008	40	30		ADEBLP
C=CC[NH+](CC=C)C[C@@H]([NH3+])C(C)C	96319831	166175596	/nfs/dbraw/zinc/17/55/96/166175596.db2.gz	XZSNRGIBRMOPPE-LLVKDONJSA-N	2	2	182.311	1.644	40	30		ADEBLP
C=CC[NH+](CC=C)C[C@H]([NH3+])C(C)C	96319832	166176802	/nfs/dbraw/zinc/17/68/02/166176802.db2.gz	XZSNRGIBRMOPPE-NSHDSACASA-N	2	2	182.311	1.644	40	30		ADEBLP
C=CC[NH+](CC=C)C[C@H](C)[NH3+]	20071253	166177167	/nfs/dbraw/zinc/17/71/67/166177167.db2.gz	AJCOYLQMTBCUQT-VIFPVBQESA-N	2	2	154.257	1.008	40	30		ADEBLP
C=CC[NH+](CC=C)C[C@H]([NH3+])CCC	36873487	343151997	/nfs/dbraw/zinc/15/19/97/343151997.db2.gz	AJSGFQQAHRYCPT-LLVKDONJSA-N	2	2	182.311	1.788	40	30		ADEBLP
C=CC[NH+](CC=C)C[C@@H]([NH3+])CCC	36873486	343152371	/nfs/dbraw/zinc/15/23/71/343152371.db2.gz	AJSGFQQAHRYCPT-NSHDSACASA-N	2	2	182.311	1.788	40	30		ADEBLP
CC(C)=[NH+]CC[NH+]=C(C)C	22028399	351411106	/nfs/dbraw/zinc/41/11/06/351411106.db2.gz	KWAQMTIQRQEKCQ-UHFFFAOYSA-N	2	2	140.230	1.948	40	30		ADEBLP