smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](CF)c1cc(Br)cc(Br)c1O	ZINC000238572292	398378228	/nfs/dbraw/zinc/37/82/28/398378228.db2.gz	AUWJRPWKVRWCBV-ZETCQYMHSA-N	1	2	312.964	2.887	10	10		DFCELO
[NH3+][C@H](CF)c1c(O)c(Br)ccc1Br	ZINC000306660278	398509414	/nfs/dbraw/zinc/50/94/14/398509414.db2.gz	QDEZHVGVMGLPLB-ZCFIWIBFSA-N	1	2	312.964	2.887	10	10		DFCELO
CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](c3ccc(N)cc3)C[C@H]2C1	ZINC000143823036	398904065	/nfs/dbraw/zinc/90/40/65/398904065.db2.gz	SKZOKOOXLKHNFU-STQMWFEESA-N	1	2	303.406	2.572	10	10		DFCELO
[NH3+][C@H](CF)c1cc(Br)cc(Br)c1O	ZINC000238683665	398378245	/nfs/dbraw/zinc/37/82/45/398378245.db2.gz	AUWJRPWKVRWCBV-SSDOTTSWSA-N	1	2	312.964	2.887	10	10		DFCELO
C[C@@H](CN1CCCC1)[NH2+]Cc1cccc(Br)c1O	ZINC000042598452	183289903	/nfs/dbraw/zinc/28/99/03/183289903.db2.gz	RRGJJTQHSRRAMW-NSHDSACASA-N	1	2	313.239	2.729	10	10		DFCELO
Cc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3O)C2)c(O)c1	ZINC000090377473	185293355	/nfs/dbraw/zinc/29/33/55/185293355.db2.gz	YHCDSTTVFGAJBN-UHFFFAOYSA-N	1	2	312.413	2.990	10	10		DFCELO
Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)cc3O)C2)c(O)c1	ZINC000090377473	185293356	/nfs/dbraw/zinc/29/33/56/185293356.db2.gz	YHCDSTTVFGAJBN-UHFFFAOYSA-N	1	2	312.413	2.990	10	10		DFCELO
CCCn1c(C)nc2c(O)c(C[NH+]3CCCCC3)ccc2c1=O	ZINC000039124455	284127734	/nfs/dbraw/zinc/12/77/34/284127734.db2.gz	PIUWYOYULLHBQR-UHFFFAOYSA-N	1	2	315.417	2.806	10	10		DFCELO
CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](c3ccc(N)cc3)C[C@@H]2C1	ZINC000143822617	398904108	/nfs/dbraw/zinc/90/41/08/398904108.db2.gz	SKZOKOOXLKHNFU-BETUJISGSA-N	1	2	303.406	2.572	10	10		DFCELO
CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](c3ccc(N)cc3)C[C@@H]2C1	ZINC000143822617	398904111	/nfs/dbraw/zinc/90/41/11/398904111.db2.gz	SKZOKOOXLKHNFU-BETUJISGSA-N	1	2	303.406	2.572	10	10		DFCELO
CC(C)=C1SC(N2CC[NH+](Cc3ccccc3)CC2)=NC1=O	ZINC000019867689	182157888	/nfs/dbraw/zinc/15/78/88/182157888.db2.gz	ZQCHBQYQSKRNMK-UHFFFAOYSA-N	1	2	315.442	2.728	10	10		DFCELO
CC[C@@H]([NH2+]Cc1nnc[nH]1)c1cc(Br)ccc1O	ZINC000037919335	182937874	/nfs/dbraw/zinc/93/78/74/182937874.db2.gz	CVMXXQQLTYOTIW-SNVBAGLBSA-N	1	2	311.183	2.514	10	10		DFCELO
Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CN2CCC1CC2	ZINC000020022865	182179974	/nfs/dbraw/zinc/17/99/74/182179974.db2.gz	SOPWUIMHHFGNDO-CYBMUJFWSA-N	1	2	301.217	2.883	10	10		DFCELO
C[C@H](CN1CCCC1)[NH2+]Cc1cccc(Br)c1O	ZINC000042598455	183289721	/nfs/dbraw/zinc/28/97/21/183289721.db2.gz	RRGJJTQHSRRAMW-LLVKDONJSA-N	1	2	313.239	2.729	10	10		DFCELO
Nc1ccc([NH+]2CCC3(CC2)Oc2ccccc2NC3=O)cc1	ZINC000584649147	337380489	/nfs/dbraw/zinc/38/04/89/337380489.db2.gz	WRQKJADJJZJRCN-UHFFFAOYSA-N	1	2	309.369	2.639	10	10		DFCELO
Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CN2CCC1CC2	ZINC000020022867	182179580	/nfs/dbraw/zinc/17/95/80/182179580.db2.gz	SOPWUIMHHFGNDO-ZDUSSCGKSA-N	1	2	301.217	2.883	10	10		DFCELO
CC(=O)Oc1ccc(N2CCN(c3ccc([NH3+])cc3)CC2)cc1	ZINC000165259844	398992042	/nfs/dbraw/zinc/99/20/42/398992042.db2.gz	MNBSTKZBQBRJGC-UHFFFAOYSA-N	1	2	311.385	2.521	10	10		DFCELO
CC(C)(C)OC(=O)N1C[C@H]2C[NH+](c3ccc(N)cc3)C[C@@H]2C1	ZINC000143822809	398904026	/nfs/dbraw/zinc/90/40/26/398904026.db2.gz	SKZOKOOXLKHNFU-CHWSQXEVSA-N	1	2	303.406	2.572	10	10		DFCELO