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@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc([O-])c(C[NH+](CC)CC)c1	ZINC000001641558	210363228	/nfs/dbraw/zinc/36/32/28/210363228.db2.gz	LZMPBBIQIUNXDF-GOTSBHOMSA-N	0	3	369.549	5.930	40	10		FKCBHN
CC[C@@H](c1ccc([O-])c(C[NH+](CC)CC)c1)[C@H](CC)c1ccc(OC)cc1	ZINC000001641559	210364655	/nfs/dbraw/zinc/36/46/55/210364655.db2.gz	LZMPBBIQIUNXDF-PKTZIBPZSA-N	0	3	369.549	5.930	40	10		FKCBHN
CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc([O-])c(C[NH+](CC)CC)c1	ZINC000001641560	210363878	/nfs/dbraw/zinc/36/38/78/210363878.db2.gz	LZMPBBIQIUNXDF-XZOQPEGZSA-N	0	3	369.549	5.930	40	10		FKCBHN
CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc([O-])c(C[NH+](CC)CC)c1	ZINC000001641561	210364304	/nfs/dbraw/zinc/36/43/04/210364304.db2.gz	LZMPBBIQIUNXDF-DHIUTWEWSA-N	0	3	369.549	5.930	40	10		FKCBHN
CC/C(=C(\CC)c1ccc([O-])c(C[NH+](CC)CC)c1)c1ccc(OC)cc1	ZINC000001668784	210366402	/nfs/dbraw/zinc/36/64/02/210366402.db2.gz	YEILTXNESJXAFZ-FCQUAONHSA-N	0	3	367.533	5.973	40	10		FKCBHN
CC[NH+](CC)Cc1cc(C(C)(C)CC(C)(C)C)cc(-c2ccccc2)c1[O-]	ZINC000001718283	570505483	/nfs/dbraw/zinc/50/54/83/570505483.db2.gz	OVLMXUUOMRNGSL-UHFFFAOYSA-N	0	3	367.577	6.615	40	10		FKCBHN
Cc1cc(C)nc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1	ZINC000001736222	204017759	/nfs/dbraw/zinc/01/77/59/204017759.db2.gz	YSBCKTDIFATRKX-NRFANRHFSA-N	0	3	355.441	5.154	40	10		FKCBHN
Cc1ccc(-c2ccc(Nc3c4ccccc4nc4ccccc43)cc2)cn1	ZINC000005553544	570630698	/nfs/dbraw/zinc/63/06/98/570630698.db2.gz	UCBSTJJOUMTSJA-UHFFFAOYSA-N	0	3	361.448	6.502	40	10		FKCBHN
c1ccc(Oc2ccc(Nc3c4ccccc4nc4ccccc43)cc2)cc1	ZINC000005939141	570638890	/nfs/dbraw/zinc/63/88/90/570638890.db2.gz	FMVDYOFWNFFWTH-UHFFFAOYSA-N	0	3	362.432	6.924	40	10		FKCBHN
Cc1cc(C)nc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)c1	ZINC000008617648	207239784	/nfs/dbraw/zinc/23/97/84/207239784.db2.gz	YSBCKTDIFATRKX-OAQYLSRUSA-N	0	3	355.441	5.154	40	10		FKCBHN
CC[NH+](CC)Cc1ccc(Nc2ccnc3cc4ccccc4cc32)cc1[O-]	ZINC000043753760	205106034	/nfs/dbraw/zinc/10/60/34/205106034.db2.gz	GMPMOAVTVCNMPP-UHFFFAOYSA-N	0	3	371.484	5.679	40	10		FKCBHN