smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000004799120	559066498	/nfs/dbraw/zinc/06/64/98/559066498.db2.gz	KWXUVYYYNBSHBN-LJQANCHMSA-N	0	3	409.505	5.630	50	5		HKBAHN
CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000004799122	559066494	/nfs/dbraw/zinc/06/64/94/559066494.db2.gz	KWXUVYYYNBSHBN-IBGZPJMESA-N	0	3	409.505	5.630	50	5		HKBAHN
COc1cc2c(cc1OC)CN(Cc1ccc3ccc4cccc5ccc1c3c45)CC2	ZINC000004988193	557621627	/nfs/dbraw/zinc/62/16/27/557621627.db2.gz	BCTSTWBRNBHGAK-UHFFFAOYSA-N	0	3	407.513	6.160	50	5		HKBAHN
O=C(Nc1ccc(CN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000009481341	571262043	/nfs/dbraw/zinc/26/20/43/571262043.db2.gz	WSQCDKUOISFCTP-UHFFFAOYSA-N	0	3	407.514	5.031	50	5		HKBAHN
CN(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@H](c2ccccc2)C1[N+](=O)[O-]	ZINC000013466738	558262151	/nfs/dbraw/zinc/26/21/51/558262151.db2.gz	RGLABPZDKNDTTA-VDKIKQQVSA-N	0	3	416.546	5.619	50	5		HKBAHN
CN(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@H](c2ccccc2)C1[N+](=O)[O-]	ZINC000013466743	558262068	/nfs/dbraw/zinc/26/20/68/558262068.db2.gz	RGLABPZDKNDTTA-GIFXNVAJSA-N	0	3	416.546	5.619	50	5		HKBAHN
O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccncc21	ZINC000015174137	568818508	/nfs/dbraw/zinc/81/85/08/568818508.db2.gz	JPCYDZWFOYZMNB-UHFFFAOYSA-N	0	3	424.504	5.055	50	5		HKBAHN
Fc1ccc(N2CCN(Cc3c4ccccc4c(Cl)c4ccccc43)CC2)cc1	ZINC000019609130	558946793	/nfs/dbraw/zinc/94/67/93/558946793.db2.gz	IYQUADHQZYLHIY-UHFFFAOYSA-N	0	3	404.916	6.108	50	5		HKBAHN
Cc1ccc(C)c(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)c1	ZINC000019632616	558947267	/nfs/dbraw/zinc/94/72/67/558947267.db2.gz	ANEMSWIPQGLYLI-UHFFFAOYSA-N	0	3	404.557	6.523	50	5		HKBAHN
COc1ccccc1N1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000019633730	558947216	/nfs/dbraw/zinc/94/72/16/558947216.db2.gz	ZTGFNNHWNDZJLL-UHFFFAOYSA-N	0	3	406.529	5.915	50	5		HKBAHN
Clc1cccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)c1	ZINC000019634255	558947360	/nfs/dbraw/zinc/94/73/60/558947360.db2.gz	ZSAAJIQPCFPDEP-UHFFFAOYSA-N	0	3	410.948	6.560	50	5		HKBAHN
Cc1cccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)c1C	ZINC000019634466	558947443	/nfs/dbraw/zinc/94/74/43/558947443.db2.gz	GXGAGAOHZHBHPT-UHFFFAOYSA-N	0	3	404.557	6.523	50	5		HKBAHN
Clc1ccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)cc1	ZINC000019634621	558947487	/nfs/dbraw/zinc/94/74/87/558947487.db2.gz	CCZZGNLDVPOUPD-UHFFFAOYSA-N	0	3	410.948	6.560	50	5		HKBAHN
C(=C/c1ccccc1)\CN1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000019634953	558947570	/nfs/dbraw/zinc/94/75/70/558947570.db2.gz	UGCGLXDVSVQVAY-VMPITWQZSA-N	0	3	416.568	6.415	50	5		HKBAHN
O=[N+]([O-])c1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c2ncccc12	ZINC000020228750	568595190	/nfs/dbraw/zinc/59/51/90/568595190.db2.gz	UNXLORJOGYXZGF-UHFFFAOYSA-N	0	3	422.488	5.035	50	5		HKBAHN
CN1CCC2(CC1)C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O2	ZINC000032679043	523786538	/nfs/dbraw/zinc/78/65/38/523786538.db2.gz	RSLBDBNEKOMOOK-QGZVFWFLSA-N	0	3	421.419	5.014	50	5		HKBAHN
CN1CCC2(CC1)C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O2	ZINC000032679044	523786652	/nfs/dbraw/zinc/78/66/52/523786652.db2.gz	RSLBDBNEKOMOOK-KRWDZBQOSA-N	0	3	421.419	5.014	50	5		HKBAHN
Cc1ccc(C(C)C)c(Oc2ccc(CNCCCn3ccnc3)cc2[N+](=O)[O-])c1	ZINC000035310468	569031033	/nfs/dbraw/zinc/03/10/33/569031033.db2.gz	ORPWOPVKSHTCBG-UHFFFAOYSA-N	0	3	408.502	5.195	50	5		HKBAHN
CN(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)C1[N+](=O)[O-]	ZINC000035575623	569045234	/nfs/dbraw/zinc/04/52/34/569045234.db2.gz	RGLABPZDKNDTTA-CUYJMHBOSA-N	0	3	416.546	5.619	50	5		HKBAHN
CN(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)C1[N+](=O)[O-]	ZINC000035575630	569045224	/nfs/dbraw/zinc/04/52/24/569045224.db2.gz	RGLABPZDKNDTTA-OYRHQHFDSA-N	0	3	416.546	5.619	50	5		HKBAHN
O=[N+]([O-])c1ccc(CN(Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)cc1	ZINC000035843735	569062460	/nfs/dbraw/zinc/06/24/60/569062460.db2.gz	SSEZFPZVHXAZCB-UHFFFAOYSA-N	0	3	421.516	5.919	50	5		HKBAHN
O=[N+]([O-])c1cccc(CN(Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)c1	ZINC000035843737	569062426	/nfs/dbraw/zinc/06/24/26/569062426.db2.gz	FTEYXOUUDQGLLU-UHFFFAOYSA-N	0	3	421.516	5.919	50	5		HKBAHN