smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(NC[C@H]2C[NH+](C)CCN2C)nc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293625	1070973092	/nfs/dbraw/zinc/97/30/92/1070973092.db2.gz	YSXPOUBHIZKSFV-CVEARBPZSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@H]2C[N@H+](C)CCN2C)nc(NC[C@@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293625	1070973087	/nfs/dbraw/zinc/97/30/87/1070973087.db2.gz	YSXPOUBHIZKSFV-CVEARBPZSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@H]2C[N@@H+](C)CCN2C)nc(NC[C@@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293625	1070973068	/nfs/dbraw/zinc/97/30/68/1070973068.db2.gz	YSXPOUBHIZKSFV-CVEARBPZSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293626	1070973219	/nfs/dbraw/zinc/97/32/19/1070973219.db2.gz	YSXPOUBHIZKSFV-HOTGVXAUSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@H]2C[N@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293626	1070973213	/nfs/dbraw/zinc/97/32/13/1070973213.db2.gz	YSXPOUBHIZKSFV-HOTGVXAUSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@H]2C[N@@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293626	1070973206	/nfs/dbraw/zinc/97/32/06/1070973206.db2.gz	YSXPOUBHIZKSFV-HOTGVXAUSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293627	1070973143	/nfs/dbraw/zinc/97/31/43/1070973143.db2.gz	YSXPOUBHIZKSFV-HZPDHXFCSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc(NC[C@@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293627	1070973137	/nfs/dbraw/zinc/97/31/37/1070973137.db2.gz	YSXPOUBHIZKSFV-HZPDHXFCSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(NC[C@@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293627	1070973127	/nfs/dbraw/zinc/97/31/27/1070973127.db2.gz	YSXPOUBHIZKSFV-HZPDHXFCSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293628	1070973283	/nfs/dbraw/zinc/97/32/83/1070973283.db2.gz	YSXPOUBHIZKSFV-JKSUJKDBSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293628	1070973275	/nfs/dbraw/zinc/97/32/75/1070973275.db2.gz	YSXPOUBHIZKSFV-JKSUJKDBSA-N	2	2	421.550	-1.148	20	5		HABDLP
Cc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)c1[N+](=O)[O-]	ZINC000501293628	1070973267	/nfs/dbraw/zinc/97/32/67/1070973267.db2.gz	YSXPOUBHIZKSFV-JKSUJKDBSA-N	2	2	421.550	-1.148	20	5		HABDLP
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000609267004	1071505670	/nfs/dbraw/zinc/50/56/70/1071505670.db2.gz	RPHJJCPPDWYFNI-UHFFFAOYSA-N	2	2	408.463	-1.117	20	5		HABDLP