smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c3c(cc(NCC[NH2+]CCO)c21)N(CCO)CCN3	ZINC000005370857	132305418	/nfs/dbraw/zinc/30/54/18/132305418.db2.gz	NRNLGFHOVQJINB-UHFFFAOYSA-N	1	0	410.474	0.680	40	10		HCCBRO
O=C1c2ccccc2C(=O)c2c(O)c(NCCC[NH+](CCO)CCO)cc(O)c21	ZINC000005393058	557650570	/nfs/dbraw/zinc/65/05/70/557650570.db2.gz	PYKCJLACRZVGNR-UHFFFAOYSA-N	1	0	400.431	0.962	40	10	in-vivo	HCCBRO
NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000019658373	558950350	/nfs/dbraw/zinc/95/03/50/558950350.db2.gz	ONWRBNWITHJCIM-UHFFFAOYSA-N	1	0	406.502	0.814	40	10		HCCBRO
Nc1ccc(C[NH2+]CCN(Cc2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419911	569025828	/nfs/dbraw/zinc/02/58/28/569025828.db2.gz	AOBCAHZECONZOV-PMACEKPBSA-N	1	0	404.536	0.601	40	10		HCCBRO
Nc1ccc(C[NH2+]CCN(Cc2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419912	569025942	/nfs/dbraw/zinc/02/59/42/569025942.db2.gz	AOBCAHZECONZOV-UXHICEINSA-N	1	0	404.536	0.601	40	10		HCCBRO
Nc1ccc(C[NH2+]CCN(Cc2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419913	569025944	/nfs/dbraw/zinc/02/59/44/569025944.db2.gz	AOBCAHZECONZOV-VQTJNVASSA-N	1	0	404.536	0.601	40	10		HCCBRO
Nc1ccc(C[NH2+]CCN(Cc2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419914	569025913	/nfs/dbraw/zinc/02/59/13/569025913.db2.gz	AOBCAHZECONZOV-WOJBJXKFSA-N	1	0	404.536	0.601	40	10		HCCBRO
COCCN1C(=O)CO[C@H]2C[N@@H+](CC3(O)CCN(c4ccc(OC)cc4)CC3)C[C@@H]21	ZINC000585282486	559119991	/nfs/dbraw/zinc/11/99/91/559119991.db2.gz	DYPPIBFIBQLPCQ-PMACEKPBSA-N	1	0	419.522	0.585	40	10		HCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3CCN(C)C[C@@H](C(=O)N(C)C)C3)CC2)cc1	ZINC000585282544	559120059	/nfs/dbraw/zinc/12/00/59/559120059.db2.gz	GLGNTJOWHWFHGW-GOSISDBHSA-N	1	0	404.555	0.978	40	10		HCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3CCN(C)C[C@H](C(=O)N(C)C)C3)CC2)cc1	ZINC000585282545	559120035	/nfs/dbraw/zinc/12/00/35/559120035.db2.gz	GLGNTJOWHWFHGW-SFHVURJKSA-N	1	0	404.555	0.978	40	10		HCCBRO
COc1ccc(N2CCC(O)(C[N@H+](CCO)[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1	ZINC000585282553	559120043	/nfs/dbraw/zinc/12/00/43/559120043.db2.gz	GRVYYZCMUCJRKQ-IBGZPJMESA-N	1	0	412.552	0.898	40	10		HCCBRO
COc1ccc(N2CCC(O)(C[N@H+](CCO)[C@]3(C)CCS(=O)(=O)C3)CC2)cc1	ZINC000585282554	559120180	/nfs/dbraw/zinc/12/01/80/559120180.db2.gz	GRVYYZCMUCJRKQ-LJQANCHMSA-N	1	0	412.552	0.898	40	10		HCCBRO
CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)C1	ZINC000585282861	559120395	/nfs/dbraw/zinc/12/03/95/559120395.db2.gz	IRUJHFBDLGCBNR-GOSISDBHSA-N	1	0	418.538	0.553	40	10		HCCBRO
CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)C1	ZINC000585282870	559120343	/nfs/dbraw/zinc/12/03/43/559120343.db2.gz	IRUJHFBDLGCBNR-SFHVURJKSA-N	1	0	418.538	0.553	40	10		HCCBRO