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)/C=C\c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995310	722207578	/nfs/dbraw/zinc/20/75/78/722207578.db2.gz	MDNKWVRPOQWSSD-RRZSJFKKSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995310	722207581	/nfs/dbraw/zinc/20/75/81/722207581.db2.gz	MDNKWVRPOQWSSD-RRZSJFKKSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023924	721823090	/nfs/dbraw/zinc/82/30/90/721823090.db2.gz	ITGCDSMIKAKKIH-COFBHOFOSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023924	721823091	/nfs/dbraw/zinc/82/30/91/721823091.db2.gz	ITGCDSMIKAKKIH-COFBHOFOSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023927	721823222	/nfs/dbraw/zinc/82/32/22/721823222.db2.gz	ITGCDSMIKAKKIH-CZTLWLOHSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023927	721823225	/nfs/dbraw/zinc/82/32/25/721823225.db2.gz	ITGCDSMIKAKKIH-CZTLWLOHSA-N	2	1	436.560	3.654	20	5		IHBDMP
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC3)cs1	ZINC001164691552	719813205	/nfs/dbraw/zinc/81/32/05/719813205.db2.gz	GYWOZSDUYZDJCS-BJMVGYQFSA-N	2	1	442.589	3.922	20	5		IHBDMP
Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC3)cs1	ZINC001164691552	719813207	/nfs/dbraw/zinc/81/32/07/719813207.db2.gz	GYWOZSDUYZDJCS-BJMVGYQFSA-N	2	1	442.589	3.922	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023922	721822951	/nfs/dbraw/zinc/82/29/51/721822951.db2.gz	ITGCDSMIKAKKIH-BNRCBSBZSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023922	721822952	/nfs/dbraw/zinc/82/29/52/721822952.db2.gz	ITGCDSMIKAKKIH-BNRCBSBZSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023929	721823100	/nfs/dbraw/zinc/82/31/00/721823100.db2.gz	ITGCDSMIKAKKIH-JVHVQKNDSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023929	721823101	/nfs/dbraw/zinc/82/31/01/721823101.db2.gz	ITGCDSMIKAKKIH-JVHVQKNDSA-N	2	1	436.560	3.654	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995304	722207471	/nfs/dbraw/zinc/20/74/71/722207471.db2.gz	MDNKWVRPOQWSSD-GULCCPCXSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995304	722207474	/nfs/dbraw/zinc/20/74/74/722207474.db2.gz	MDNKWVRPOQWSSD-GULCCPCXSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995299	722207679	/nfs/dbraw/zinc/20/76/79/722207679.db2.gz	MDNKWVRPOQWSSD-BVRWQAIYSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995299	722207682	/nfs/dbraw/zinc/20/76/82/722207682.db2.gz	MDNKWVRPOQWSSD-BVRWQAIYSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995315	722208004	/nfs/dbraw/zinc/20/80/04/722208004.db2.gz	MDNKWVRPOQWSSD-TZCKBEDOSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995315	722208010	/nfs/dbraw/zinc/20/80/10/722208010.db2.gz	MDNKWVRPOQWSSD-TZCKBEDOSA-N	2	1	425.508	3.906	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796696	721500375	/nfs/dbraw/zinc/50/03/75/721500375.db2.gz	VLUCFUFRCPIHPS-IZZDOVSWSA-N	2	1	436.560	3.798	20	5		IHBDMP
C[NH+](C)/C=C/c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796696	721500379	/nfs/dbraw/zinc/50/03/79/721500379.db2.gz	VLUCFUFRCPIHPS-IZZDOVSWSA-N	2	1	436.560	3.798	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796697	721500055	/nfs/dbraw/zinc/50/00/55/721500055.db2.gz	VLUCFUFRCPIHPS-WDZFZDKYSA-N	2	1	436.560	3.798	20	5		IHBDMP
C[NH+](C)/C=C\c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796697	721500060	/nfs/dbraw/zinc/50/00/60/721500060.db2.gz	VLUCFUFRCPIHPS-WDZFZDKYSA-N	2	1	436.560	3.798	20	5		IHBDMP