smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)s1	ZINC000019715451	494457224	/nfs/dbraw/zinc/45/72/24/494457224.db2.gz	XFXCTYKRCDDTDV-ZDUSSCGKSA-N	2	2	362.503	3.032	40	30		FGEBLP
CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)s1	ZINC000019715451	494457229	/nfs/dbraw/zinc/45/72/29/494457229.db2.gz	XFXCTYKRCDDTDV-ZDUSSCGKSA-N	2	2	362.503	3.032	40	30		FGEBLP
CC(=O)Nc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1	ZINC000329023589	499018495	/nfs/dbraw/zinc/01/84/95/499018495.db2.gz	OVHVFIOLJASVAA-UHFFFAOYSA-N	2	2	368.485	3.491	40	30		FGEBLP
CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)s1	ZINC000019715450	220288866	/nfs/dbraw/zinc/28/88/66/220288866.db2.gz	XFXCTYKRCDDTDV-CYBMUJFWSA-N	2	2	362.503	3.032	40	30		FGEBLP
CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)s1	ZINC000019715450	220288868	/nfs/dbraw/zinc/28/88/68/220288868.db2.gz	XFXCTYKRCDDTDV-CYBMUJFWSA-N	2	2	362.503	3.032	40	30		FGEBLP
CCCC[NH+](CCC#N)CCOCCOCC[N@H+](CCC#N)CCCC	ZINC000033366246	494060033	/nfs/dbraw/zinc/06/00/33/494060033.db2.gz	ZGZYQXUMIGMQEF-UHFFFAOYSA-N	2	2	366.550	3.051	40	30		FGEBLP
CCCC[NH+](CCC#N)CCOCCOCC[N@@H+](CCC#N)CCCC	ZINC000033366246	494060035	/nfs/dbraw/zinc/06/00/35/494060035.db2.gz	ZGZYQXUMIGMQEF-UHFFFAOYSA-N	2	2	366.550	3.051	40	30		FGEBLP
C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)s3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055975	222004344	/nfs/dbraw/zinc/00/43/44/222004344.db2.gz	ZKTPNHVBRNLZNP-PXNSSMCTSA-N	2	2	362.539	3.320	40	30		FGEBLP
C=CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)s3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055975	222004346	/nfs/dbraw/zinc/00/43/46/222004346.db2.gz	ZKTPNHVBRNLZNP-PXNSSMCTSA-N	2	2	362.539	3.320	40	30		FGEBLP
C=CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)s3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055975	222004348	/nfs/dbraw/zinc/00/43/48/222004348.db2.gz	ZKTPNHVBRNLZNP-PXNSSMCTSA-N	2	2	362.539	3.320	40	30		FGEBLP
C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)s3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055975	222004350	/nfs/dbraw/zinc/00/43/50/222004350.db2.gz	ZKTPNHVBRNLZNP-PXNSSMCTSA-N	2	2	362.539	3.320	40	30		FGEBLP
C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055976	222005129	/nfs/dbraw/zinc/00/51/29/222005129.db2.gz	XRQVNFIELMUOLE-RXVVDRJESA-N	2	2	360.473	3.089	40	30		FGEBLP
C=CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055976	222005132	/nfs/dbraw/zinc/00/51/32/222005132.db2.gz	XRQVNFIELMUOLE-RXVVDRJESA-N	2	2	360.473	3.089	40	30		FGEBLP
C=CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055976	222005134	/nfs/dbraw/zinc/00/51/34/222005134.db2.gz	XRQVNFIELMUOLE-RXVVDRJESA-N	2	2	360.473	3.089	40	30		FGEBLP
C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055976	222005137	/nfs/dbraw/zinc/00/51/37/222005137.db2.gz	XRQVNFIELMUOLE-RXVVDRJESA-N	2	2	360.473	3.089	40	30		FGEBLP
CCN(CC)c1ccc(/C=[NH+]\N2CC[NH+](Cc3ccccc3)CC2)c(O)c1	ZINC000019419366	263374245	/nfs/dbraw/zinc/37/42/45/263374245.db2.gz	PVHZCSHYFDXMFE-QJOMJCCJSA-N	2	2	366.509	3.390	40	30		FGEBLP