smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C[NH2+]CC[NH2+]C[C@@H](C)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3	ZINC000003916335	561685032	/nfs/dbraw/zinc/68/50/32/561685032.db2.gz	BGBVDVNHKBMBEB-RTBURBONSA-N	2	2	605.651	3.848	1	5		KHBFLP
C[NH+](C)Cc1ccc(CSCCNc2cc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000013726496	561724952	/nfs/dbraw/zinc/72/49/52/561724952.db2.gz	YCFVMRRJBBQZHF-UHFFFAOYSA-N	2	2	522.628	3.637	1	5		KHBFLP
Cc1cccc2nc3cccc(C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5nc6cccc(C)c6nc54)c3nc12	ZINC000022453042	561759379	/nfs/dbraw/zinc/75/93/79/561759379.db2.gz	SFOADSRLCHRTKT-UHFFFAOYSA-N	2	2	586.700	3.835	1	5	in-vitro	KHBFLP
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCC[NH2+][C@@H]1C[C@@H]1[NH2+]CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000049844814	562688616	/nfs/dbraw/zinc/68/86/16/562688616.db2.gz	XBIHVHLVWYPAQC-MKPDMIMOSA-N	2	2	636.621	3.802	1	5		KHBFLP
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCC[NH2+][C@H]1C[C@@H]1[NH2+]CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000049844815	562688647	/nfs/dbraw/zinc/68/86/47/562688647.db2.gz	XBIHVHLVWYPAQC-SVBPBHIXSA-N	2	2	636.621	3.802	1	5		KHBFLP
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCC[NH2+][C@@H]1C[C@H]1[NH2+]CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000049844816	562688633	/nfs/dbraw/zinc/68/86/33/562688633.db2.gz	XBIHVHLVWYPAQC-KAYWLYCHSA-N	2	2	636.621	3.802	1	5		KHBFLP
C[NH+](C)CCNC(=O)c1ccc(NCC[NH+](C)CCNc2ccc(C(=O)NCC[NH+](C)C)c3[nH]c4ccc(O)cc4c(=O)c23)c2c(=O)c3cc(O)ccc3[nH]c12	ZINC000095546163	562758376	/nfs/dbraw/zinc/75/83/76/562758376.db2.gz	XIWBQKQDZZRIHI-UHFFFAOYSA-N	3	2	763.900	3.538	1	5		KHBFLP
C[NH+](C)CCNc1ccc(C(=O)NCC[N@@H+](C)CCNC(=O)c2cc(NCC[NH+](C)C)c3c(c2)[nH]c2ccc(O)cc2c3=O)c2[nH]c3ccc(O)cc3c(=O)c12	ZINC000095546264	562758418	/nfs/dbraw/zinc/75/84/18/562758418.db2.gz	UAXQSMZGPZGSDV-UHFFFAOYSA-N	3	2	763.900	3.538	1	5		KHBFLP
C[NH+](C)CCNc1ccc(C(=O)NCC[N@H+](C)CCNC(=O)c2cc(NCC[NH+](C)C)c3c(c2)[nH]c2ccc(O)cc2c3=O)c2[nH]c3ccc(O)cc3c(=O)c12	ZINC000095546264	562758417	/nfs/dbraw/zinc/75/84/17/562758417.db2.gz	UAXQSMZGPZGSDV-UHFFFAOYSA-N	3	2	763.900	3.538	1	5		KHBFLP
C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4c(O)cc(O)cc4Oc4ccc([N+](=O)[O-])cc4)on3)CC2)CC1	ZINC000096940114	562804875	/nfs/dbraw/zinc/80/48/75/562804875.db2.gz	KTNWQBRXMASWOU-UHFFFAOYSA-N	2	2	537.573	3.742	1	5		KHBFLP