smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CN2CCCC23CCN(c2ccc4c(ccc(Cl)c4[N+](=O)[O-])n2)CC3)cs1	ZINC001164694047	719810513	/nfs/dbraw/zinc/81/05/13/719810513.db2.gz	UEWQQUAXFXJEMC-UHFFFAOYSA-N	0	1	457.987	5.196	20	5		JKBDMN
Cc1nc(CN2CCCC23CCN(c2cc4ccc(Cl)nc4cc2[N+](=O)[O-])CC3)cs1	ZINC001164700936	719816753	/nfs/dbraw/zinc/81/67/53/719816753.db2.gz	NIFCXGDLTRSHDL-UHFFFAOYSA-N	0	1	457.987	5.196	20	5		JKBDMN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc4ccc5ccc(Cl)nc5c4n3)C2)C1	ZINC001164776691	721352761	/nfs/dbraw/zinc/35/27/61/721352761.db2.gz	CCOXBTNQRRWKMI-HHHXNRCGSA-N	0	1	492.023	5.160	20	5		JKBDMN
O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)ccc1Cl	ZINC001164997944	722211160	/nfs/dbraw/zinc/21/11/60/722211160.db2.gz	TXQSFJGOMWDZDL-DEOSSOPVSA-N	0	1	467.932	5.089	20	5		JKBDMN
Cc1nc(CN2CCCC23CCN(c2nc4ccccc4c(Cl)c2[N+](=O)[O-])CC3)cs1	ZINC001164692602	719807741	/nfs/dbraw/zinc/80/77/41/719807741.db2.gz	KTNWHGIDPURBPU-UHFFFAOYSA-N	0	1	457.987	5.196	20	5		JKBDMN
CC(C)N(C)Cc1cnc2n1CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])[C@H]2C	ZINC001164860759	720962652	/nfs/dbraw/zinc/96/26/52/720962652.db2.gz	RQJYZUDVFRIYJW-HNNXBMFYSA-N	0	1	488.951	5.193	20	5		JKBDMN
O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nn2)ccc1Cl	ZINC001164997955	722211798	/nfs/dbraw/zinc/21/17/98/722211798.db2.gz	TXQSFJGOMWDZDL-XMMPIXPASA-N	0	1	467.932	5.089	20	5		JKBDMN
Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn2)CC3)cs1	ZINC001164692203	719815607	/nfs/dbraw/zinc/81/56/07/719815607.db2.gz	ODESLKZDLCBREL-UHFFFAOYSA-N	0	1	485.013	5.105	20	5		JKBDMN
Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)cs1	ZINC001164693594	719813852	/nfs/dbraw/zinc/81/38/52/719813852.db2.gz	WXXGQDGWAQVFBG-UHFFFAOYSA-N	0	1	457.987	5.196	20	5		JKBDMN
CCc1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164691666	719814324	/nfs/dbraw/zinc/81/43/24/719814324.db2.gz	JLSSFSJRLQGMAM-UHFFFAOYSA-N	0	1	478.622	5.014	20	5		JKBDMN
Cc1ccc(-c2nc3sccc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)n2)cc1[N+](=O)[O-]	ZINC001164859699	721003060	/nfs/dbraw/zinc/00/30/60/721003060.db2.gz	LMNCHUZMFLUYSW-QGZVFWFLSA-N	0	1	491.621	5.193	20	5		JKBDMN
Clc1ccc2ccc3ccc(N4CCC5(CC4)CN(Cc4cccs4)CCO5)nc3c2n1	ZINC001164698201	719892664	/nfs/dbraw/zinc/89/26/64/719892664.db2.gz	POXSMSCVDBKIQC-UHFFFAOYSA-N	0	1	465.022	5.369	20	5		JKBDMN
Cc1nc(CN2CCCC23CCN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)cs1	ZINC001164694515	719809348	/nfs/dbraw/zinc/80/93/48/719809348.db2.gz	ZFZBHFFXGMGVAA-UHFFFAOYSA-N	0	1	464.038	5.836	20	5		JKBDMN
CC(C)N(C)Cc1cnc2n1CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])[C@@H]2C	ZINC001164860763	720962471	/nfs/dbraw/zinc/96/24/71/720962471.db2.gz	RQJYZUDVFRIYJW-OAHLLOKOSA-N	0	1	488.951	5.193	20	5		JKBDMN
Cc1ccc(-c2nc3sccc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)n2)cc1[N+](=O)[O-]	ZINC001164859698	721004009	/nfs/dbraw/zinc/00/40/09/721004009.db2.gz	LMNCHUZMFLUYSW-KRWDZBQOSA-N	0	1	491.621	5.193	20	5		JKBDMN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4ccc5ccc(Cl)nc5c4n3)C2)C1	ZINC001164776696	721352661	/nfs/dbraw/zinc/35/26/61/721352661.db2.gz	CCOXBTNQRRWKMI-MHZLTWQESA-N	0	1	492.023	5.160	20	5		JKBDMN