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)CCNC(=O)c1cccc2c(N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c3ccccc3[n+](C)c12	ZINC000031897817	563108913	/nfs/dbraw/zinc/10/89/13/563108913.db2.gz	XQADKUWGXDSOHB-IBGZPJMESA-O	1	3	480.593	1.237	1	10		JDCFHO
CN1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CC[NH2+]3)cc2)CC1	ZINC000035902789	563121146	/nfs/dbraw/zinc/12/11/46/563121146.db2.gz	IQRCWLVEXOZZDI-HSZRJFAPSA-N	1	3	463.561	1.884	1	10		JDCFHO
C[NH+](C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000031895982	563108835	/nfs/dbraw/zinc/10/88/35/563108835.db2.gz	CGDAZLQATRHGFV-LJQANCHMSA-N	1	3	465.558	1.808	1	10		JDCFHO
O=C1c2ccccc2C(=O)c2c(NCCNCCO)c3sccc3c(NCC[NH2+]CCO)c21	ZINC000040895439	563153804	/nfs/dbraw/zinc/15/38/04/563153804.db2.gz	YWWKTPRWYFKKIJ-UHFFFAOYSA-N	1	3	468.579	1.664	1	10		JDCFHO
CN(C)CCNC(=O)c1cccc2c(N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])c3ccccc3[n+](C)c12	ZINC000005923218	562935821	/nfs/dbraw/zinc/93/58/21/562935821.db2.gz	XQADKUWGXDSOHB-LJQANCHMSA-O	1	3	480.593	1.237	1	10		JDCFHO
COc1cc2c3c(n(CCCNCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027648286	563048430	/nfs/dbraw/zinc/04/84/30/563048430.db2.gz	YHKABDHYBIHCJT-UHFFFAOYSA-N	1	3	451.479	1.897	1	10		JDCFHO
C[NH+](C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005848645	562935522	/nfs/dbraw/zinc/93/55/22/562935522.db2.gz	CGDAZLQATRHGFV-IBGZPJMESA-N	1	3	465.558	1.808	1	10		JDCFHO