smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)CCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@](=O)([O-])O	ZINC000027879935	561888929	/nfs/dbraw/zinc/88/89/29/561888929.db2.gz	KQYYCCPCFICLGD-ISJGIBHGSA-P	1	2	620.725	2.447	1	5		KEBFLO
CC[N+](CC)(CC)CCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@@](=O)([O-])O	ZINC000027879935	561888928	/nfs/dbraw/zinc/88/89/28/561888928.db2.gz	KQYYCCPCFICLGD-ISJGIBHGSA-P	1	2	620.725	2.447	1	5		KEBFLO
CC[NH+](CC)CCCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@](=O)([O-])O	ZINC000027888532	561889639	/nfs/dbraw/zinc/88/96/39/561889639.db2.gz	BIZJUMFDLOEDFN-RBZQAINGSA-O	1	2	605.690	2.303	1	5		KEBFLO
CC[NH+](CC)CCCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@@](=O)([O-])O	ZINC000027888532	561889637	/nfs/dbraw/zinc/88/96/37/561889637.db2.gz	BIZJUMFDLOEDFN-RBZQAINGSA-O	1	2	605.690	2.303	1	5		KEBFLO
O=C(CCN1CCOCC1)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[NH+]3CCOCC3)ccc1c2=O	ZINC000028393060	561922627	/nfs/dbraw/zinc/92/26/27/561922627.db2.gz	HLXNPIWLUUMGMK-UHFFFAOYSA-N	1	2	507.591	2.003	1	5		KEBFLO
CN(C)C(=S)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000036436274	562060690	/nfs/dbraw/zinc/06/06/90/562060690.db2.gz	XAKTZIQBYVKYHZ-KRWDZBQOSA-N	1	2	506.560	2.410	1	5		KEBFLO
O=[N+]([O-])c1cccc(OCCCN2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1	ZINC000045283786	562660118	/nfs/dbraw/zinc/66/01/18/562660118.db2.gz	GFPCNFJNKTTXDM-XMMPIXPASA-N	1	2	502.522	2.439	1	5		KEBFLO
O=[N+]([O-])c1cccc(OCCCN2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1	ZINC000045283789	562660115	/nfs/dbraw/zinc/66/01/15/562660115.db2.gz	GFPCNFJNKTTXDM-DEOSSOPVSA-N	1	2	502.522	2.439	1	5		KEBFLO
O=[N+]([O-])c1ccccc1OCCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000045290786	562660333	/nfs/dbraw/zinc/66/03/33/562660333.db2.gz	DEXLHGUJRFRTOF-XMMPIXPASA-N	1	2	502.522	2.439	1	5		KEBFLO
O=[N+]([O-])c1ccccc1OCCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000045290789	562660322	/nfs/dbraw/zinc/66/03/22/562660322.db2.gz	DEXLHGUJRFRTOF-DEOSSOPVSA-N	1	2	502.522	2.439	1	5		KEBFLO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)N[C@@H]1C[N+]2([O-])CCC1CC2	ZINC000095610563	562784464	/nfs/dbraw/zinc/78/44/64/562784464.db2.gz	CFQJOCYCVRMDEC-KSLVRGSLSA-N	1	2	802.008	2.027	1	5		KEBFLO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)N[C@@H]1C[N+]2([O-])CCC1CC2	ZINC000095610563	562784463	/nfs/dbraw/zinc/78/44/63/562784463.db2.gz	CFQJOCYCVRMDEC-KSLVRGSLSA-N	1	2	802.008	2.027	1	5		KEBFLO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)N[C@H]1C[N+]2([O-])CCC1CC2	ZINC000095610564	562784469	/nfs/dbraw/zinc/78/44/69/562784469.db2.gz	CFQJOCYCVRMDEC-QPONSAIBSA-N	1	2	802.008	2.027	1	5		KEBFLO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)N[C@H]1C[N+]2([O-])CCC1CC2	ZINC000095610564	562784468	/nfs/dbraw/zinc/78/44/68/562784468.db2.gz	CFQJOCYCVRMDEC-QPONSAIBSA-N	1	2	802.008	2.027	1	5		KEBFLO
O=C1N=C2c3cc4c([nH+]c3N[C@H](c3cccc([N+](=O)[O-])c3)C2C(=O)N1)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(=O)[nH]c(=O)[nH]c1-4	ZINC000096907324	562799088	/nfs/dbraw/zinc/79/90/88/562799088.db2.gz	UMMRSHRDNQTJSG-RTBURBONSA-N	1	2	595.488	2.015	1	5		KEBFLO
NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000013878856	561735366	/nfs/dbraw/zinc/73/53/66/561735366.db2.gz	IFQUBKCZOTWFEQ-LJQANCHMSA-N	1	2	520.384	2.448	3	5		KEBFLO
NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000013878857	561735392	/nfs/dbraw/zinc/73/53/92/561735392.db2.gz	IFQUBKCZOTWFEQ-IBGZPJMESA-N	1	2	520.384	2.448	3	5		KEBFLO
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000038146267	562065087	/nfs/dbraw/zinc/06/50/87/562065087.db2.gz	MTSIZMIECCHAJN-FQEVSTJZSA-N	1	2	534.411	2.377	3	5		KEBFLO
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000038146268	562065096	/nfs/dbraw/zinc/06/50/96/562065096.db2.gz	MTSIZMIECCHAJN-HXUWFJFHSA-N	1	2	534.411	2.377	3	5		KEBFLO