smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NC4CC4)N3C2)cc1	ZINC000022936907	560091813	/nfs/dbraw/zinc/09/18/13/560091813.db2.gz	AFCSBXMWRPAKAB-SXLOBPIMSA-N	1	0	399.539	0.842	40	10	biogenic,in-vitro	GCCBRO
CNC(=O)[C@]1(C)C[N@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)CCO1	ZINC000585286455	570255744	/nfs/dbraw/zinc/25/57/44/570255744.db2.gz	PDUOFIWNVYZJRC-IBGZPJMESA-N	1	0	377.485	0.863	40	10		GCCBRO
O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O)c1ccccc1	ZINC000077264642	560046489	/nfs/dbraw/zinc/04/64/89/560046489.db2.gz	UVMVATIAXPPYOR-NXHRZFHOSA-N	1	0	378.450	0.589	40	10	biogenic,in-vitro	GCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3CCN(C(C)=O)C[C@H](CO)C3)CC2)cc1	ZINC000585285563	570255389	/nfs/dbraw/zinc/25/53/89/570255389.db2.gz	ZZVBVVKPKMACJY-GOSISDBHSA-N	1	0	391.512	0.799	40	10		GCCBRO
NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000019656943	210276455	/nfs/dbraw/zinc/27/64/55/210276455.db2.gz	COLRPPNDMSRIGG-UHFFFAOYSA-N	1	0	388.512	0.675	40	10		GCCBRO
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3ccccc3O)[C@@H]2O)cc1	ZINC000077264779	205036039	/nfs/dbraw/zinc/03/60/39/205036039.db2.gz	BDGDDLGVNLEKOY-QRQLOZEOSA-N	1	0	392.477	0.897	40	10	biogenic,in-vitro	GCCBRO
CNC(=O)[C@@]1(C)C[N@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)CCO1	ZINC000585286461	570255623	/nfs/dbraw/zinc/25/56/23/570255623.db2.gz	PDUOFIWNVYZJRC-LJQANCHMSA-N	1	0	377.485	0.863	40	10		GCCBRO
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)N(C)C1=O	ZINC000059387157	570655492	/nfs/dbraw/zinc/65/54/92/570655492.db2.gz	UDSUQTDGWARAOY-UHFFFAOYSA-N	1	0	387.396	0.780	40	10		GCCBRO
CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O	ZINC000020464003	560092937	/nfs/dbraw/zinc/09/29/37/560092937.db2.gz	DJJKIMGEZLEQNC-SSSFQFABSA-N	1	0	385.464	0.905	40	10	biogenic,in-vitro	GCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3CCN(C(C)=O)C[C@@H](CO)C3)CC2)cc1	ZINC000585285564	570255327	/nfs/dbraw/zinc/25/53/27/570255327.db2.gz	ZZVBVVKPKMACJY-SFHVURJKSA-N	1	0	391.512	0.799	40	10		GCCBRO
COc1ccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)cc1	ZINC000585282295	570250023	/nfs/dbraw/zinc/25/00/23/570250023.db2.gz	CZCAKMYLDIVVEO-ROUUACIJSA-N	1	0	375.469	0.568	40	10		GCCBRO
COc1ccc(N2CC[NH+](CCCNc3cc(=O)n(C)c(=O)n3C)CC2)cc1	ZINC000077286729	209114454	/nfs/dbraw/zinc/11/44/54/209114454.db2.gz	FSIVWMBBAZRTCH-UHFFFAOYSA-N	1	0	387.484	0.717	40	10	in-vitro	GCCBRO