smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NCC1(c2cccc(Br)c2)CC1	ZINC000262562032	645134260	/nfs/dbraw/zinc/13/42/60/645134260.db2.gz	WRLGUPFUAJQDDA-MRXNPFEDSA-N	2	2	395.345	1.976	10	30		GDEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NCC1(c2cccc(Br)c2)CC1	ZINC000262562032	645134262	/nfs/dbraw/zinc/13/42/62/645134262.db2.gz	WRLGUPFUAJQDDA-MRXNPFEDSA-N	2	2	395.345	1.976	10	30		GDEELP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NCC1(c2cccc(Br)c2)CC1	ZINC000262562031	645134197	/nfs/dbraw/zinc/13/41/97/645134197.db2.gz	WRLGUPFUAJQDDA-INIZCTEOSA-N	2	2	395.345	1.976	10	30		GDEELP
C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NCC1(c2cccc(Br)c2)CC1	ZINC000262562031	645134202	/nfs/dbraw/zinc/13/42/02/645134202.db2.gz	WRLGUPFUAJQDDA-INIZCTEOSA-N	2	2	395.345	1.976	10	30		GDEELP
C=CC[NH+]1CCc2c(c(C(=O)NC[C@@H]3CCC[N@H+]3CC)nn2CCOC)C1	ZINC000020776646	518871064	/nfs/dbraw/zinc/87/10/64/518871064.db2.gz	CPYOOTXWRNFHSI-INIZCTEOSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[NH+]1CCc2c(c(C(=O)NC[C@@H]3CCC[N@@H+]3CC)nn2CCOC)C1	ZINC000020776646	518871069	/nfs/dbraw/zinc/87/10/69/518871069.db2.gz	CPYOOTXWRNFHSI-INIZCTEOSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[N@@H+]1CCc2c(c(C(=O)NC[C@@H]3CCC[NH+]3CC)nn2CCOC)C1	ZINC000020776646	518871074	/nfs/dbraw/zinc/87/10/74/518871074.db2.gz	CPYOOTXWRNFHSI-INIZCTEOSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[N@H+]1CCc2c(c(C(=O)NC[C@@H]3CCC[NH+]3CC)nn2CCOC)C1	ZINC000020776646	518871078	/nfs/dbraw/zinc/87/10/78/518871078.db2.gz	CPYOOTXWRNFHSI-INIZCTEOSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[NH+]1CCc2c(c(C(=O)NC[C@H]3CCC[N@H+]3CC)nn2CCOC)C1	ZINC000020776643	518869989	/nfs/dbraw/zinc/86/99/89/518869989.db2.gz	CPYOOTXWRNFHSI-MRXNPFEDSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[NH+]1CCc2c(c(C(=O)NC[C@H]3CCC[N@@H+]3CC)nn2CCOC)C1	ZINC000020776643	518869995	/nfs/dbraw/zinc/86/99/95/518869995.db2.gz	CPYOOTXWRNFHSI-MRXNPFEDSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[N@@H+]1CCc2c(c(C(=O)NC[C@H]3CCC[NH+]3CC)nn2CCOC)C1	ZINC000020776643	518870001	/nfs/dbraw/zinc/87/00/01/518870001.db2.gz	CPYOOTXWRNFHSI-MRXNPFEDSA-N	2	2	375.517	1.288	10	30		GDEELP
C=CC[N@H+]1CCc2c(c(C(=O)NC[C@H]3CCC[NH+]3CC)nn2CCOC)C1	ZINC000020776643	518870005	/nfs/dbraw/zinc/87/00/05/518870005.db2.gz	CPYOOTXWRNFHSI-MRXNPFEDSA-N	2	2	375.517	1.288	10	30		GDEELP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NCC1(c2ccccc2Br)CC1	ZINC000262550842	645133519	/nfs/dbraw/zinc/13/35/19/645133519.db2.gz	SYTPERAWSWCTEW-AWEZNQCLSA-N	2	2	395.345	1.976	10	30		GDEELP
C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NCC1(c2ccccc2Br)CC1	ZINC000262550842	645133529	/nfs/dbraw/zinc/13/35/29/645133529.db2.gz	SYTPERAWSWCTEW-AWEZNQCLSA-N	2	2	395.345	1.976	10	30		GDEELP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NCC1(c2ccccc2Br)CC1	ZINC000262550849	645133597	/nfs/dbraw/zinc/13/35/97/645133597.db2.gz	SYTPERAWSWCTEW-CQSZACIVSA-N	2	2	395.345	1.976	10	30		GDEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NCC1(c2ccccc2Br)CC1	ZINC000262550849	645133603	/nfs/dbraw/zinc/13/36/03/645133603.db2.gz	SYTPERAWSWCTEW-CQSZACIVSA-N	2	2	395.345	1.976	10	30		GDEELP
Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000275477604	570694052	/nfs/dbraw/zinc/69/40/52/570694052.db2.gz	IFDPSLWUVCNSBE-IRLDBZIGSA-N	2	2	392.507	1.866	10	30		GDEELP