smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[n+]1c2ccccc2c(N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c2cccc(C(=O)NCC[NH+](C)C)c21	ZINC000031897817	563108912	/nfs/dbraw/zinc/10/89/12/563108912.db2.gz	XQADKUWGXDSOHB-IBGZPJMESA-O	2	0	480.593	1.237	1	10		JDCFRP
CC[NH+](CC)CCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028757902	563077970	/nfs/dbraw/zinc/07/79/70/563077970.db2.gz	NGHNRYJPRZTWPR-UHFFFAOYSA-N	2	0	453.543	1.995	1	10		JDCFRP
Cn1c(=O)cc(-c2ccncc2F)nc1N1CC[NH2+][C@@H](c2ccc(N3CC[NH+](C)CC3)cc2)C1	ZINC000035902789	563121144	/nfs/dbraw/zinc/12/11/44/563121144.db2.gz	IQRCWLVEXOZZDI-HSZRJFAPSA-N	2	0	463.561	1.884	1	10		JDCFRP
CNC(=[NH2+])N[C@H](CCCC(=O)C=C(O)CCc1cc(C[NH2+]C)c(O)c(OC)c1)CCn1ccnc1	ZINC000085627031	560068998	/nfs/dbraw/zinc/06/89/98/560068998.db2.gz	WGXZDGALSFWNKW-HXUWFJFHSA-O	2	0	487.625	1.570	1	10	biogenic,in-vitro	JDCFRP
C[NH+](C)CCNC(=O)c1cccc2c(N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])c3ccccc3[nH+]c12	ZINC000031895982	563108834	/nfs/dbraw/zinc/10/88/34/563108834.db2.gz	CGDAZLQATRHGFV-LJQANCHMSA-N	2	0	465.558	1.808	1	10		JDCFRP
CCOc1nc2ccccc2nc1C(=O)Nc1cc(CN2CC[NH2+]CC2)c(O)c(N2CC[NH2+]CC2)c1	ZINC000040564050	563145310	/nfs/dbraw/zinc/14/53/10/563145310.db2.gz	UCMVNCWKAHXDDZ-UHFFFAOYSA-N	2	0	491.596	1.801	1	10		JDCFRP
C[NH2+]CCNc1c2cc(C(=O)NCCO)sc2c(NCC[NH2+]C)c2c1C(=O)c1ccccc1C2=O	ZINC000040893264	563153457	/nfs/dbraw/zinc/15/34/57/563153457.db2.gz	SYHFHVYUSZOKNM-UHFFFAOYSA-N	2	0	495.605	1.661	1	10		JDCFRP
O=C1c2ccccc2C(=O)c2c(NCC[NH2+]CCO)c3sccc3c(NCC[NH2+]CCO)c21	ZINC000040895439	563153803	/nfs/dbraw/zinc/15/38/03/563153803.db2.gz	YWWKTPRWYFKKIJ-UHFFFAOYSA-N	2	0	468.579	1.664	1	10		JDCFRP
C[n+]1c2ccccc2c(N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])c2cccc(C(=O)NCC[NH+](C)C)c21	ZINC000005923218	562935820	/nfs/dbraw/zinc/93/58/20/562935820.db2.gz	XQADKUWGXDSOHB-LJQANCHMSA-O	2	0	480.593	1.237	1	10		JDCFRP
COc1cc2c3c(n(CCC[NH2+]CCNCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027637090	563047819	/nfs/dbraw/zinc/04/78/19/563047819.db2.gz	ZLNJEQWKTCFNJB-UHFFFAOYSA-N	2	0	494.548	1.487	1	10		JDCFRP
NC(=[NH2+])NCCNc1c2ccsc2c(NCCNC(N)=[NH2+])c2c1C(=O)c1ccccc1C2=O	ZINC000040891735	563153062	/nfs/dbraw/zinc/15/30/62/563153062.db2.gz	DQDXGZRFIKVXRX-UHFFFAOYSA-N	2	0	464.555	1.467	1	10		JDCFRP
COc1cc2c(c3c1C(=O)c1c(NCC[NH2+]CCO)ccc(NCC[NH2+]CCO)c1C3=O)CCCC2	ZINC000003801141	562928536	/nfs/dbraw/zinc/92/85/36/562928536.db2.gz	WVHLYXXUTXVUMU-UHFFFAOYSA-N	2	0	496.608	1.337	1	10		JDCFRP
COc1nc2ccccc2nc1C(=O)Nc1cc(CN2CC[NH2+]CC2)c(O)c(N2CC[NH2+]CC2)c1	ZINC000040565186	563145452	/nfs/dbraw/zinc/14/54/52/563145452.db2.gz	QUOMPUWFUCASQE-UHFFFAOYSA-N	2	0	477.569	1.411	1	10		JDCFRP
CC[NH+](CC)C[C@H](O)Cn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758052	563077963	/nfs/dbraw/zinc/07/79/63/563077963.db2.gz	PFIMGCYBNHVQOH-HNNXBMFYSA-N	2	0	483.569	1.355	1	10		JDCFRP
CC[NH+](CC)CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758992	563078064	/nfs/dbraw/zinc/07/80/64/563078064.db2.gz	AOWLLQZIKFFKAQ-UHFFFAOYSA-N	2	0	453.543	1.995	1	10		JDCFRP
CC[NH+](CC)C[C@@H](O)Cn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2	ZINC000028758050	563077978	/nfs/dbraw/zinc/07/79/78/563077978.db2.gz	PFIMGCYBNHVQOH-OAHLLOKOSA-N	2	0	483.569	1.355	1	10		JDCFRP
C[NH+](C)CCNC(=O)c1cccc2c(N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c3ccccc3[nH+]c12	ZINC000005848645	562935520	/nfs/dbraw/zinc/93/55/20/562935520.db2.gz	CGDAZLQATRHGFV-IBGZPJMESA-N	2	0	465.558	1.808	1	10		JDCFRP