smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1ccc(C(=O)O[C@@H](C)[C@H](C)C[N+](CC)(CC)CC)cc1	ZINC000033902356	717123361	/nfs/dbraw/zinc/12/33/61/717123361.db2.gz	KSEIOHBGXUIDHX-MOPGFXCFSA-N	1	0	364.550	4.923	10	5		FJBERO
CC(C)CCCCCCCOC[C@@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000005758311	717101292	/nfs/dbraw/zinc/10/12/92/717101292.db2.gz	MQTKAFXVDAUFTI-QFIPXVFZSA-N	1	0	350.567	4.637	10	5		FJBERO
COc1ccc(CN(CC[N+]2(C)CCCCC2)CC2CCCCC2)cc1	ZINC000033638917	717121430	/nfs/dbraw/zinc/12/14/30/717121430.db2.gz	JSJIBNXHOIBMEU-UHFFFAOYSA-N	1	0	359.578	4.708	10	5		FJBERO
COc1cc2c(cc1OC)C[N@@+](C)(Cc1ccc(Cl)cc1Cl)CC2	ZINC000247695324	222948632	/nfs/dbraw/zinc/94/86/32/222948632.db2.gz	ZGQCVMOFKRXPLJ-JOCHJYFZSA-N	1	0	367.296	4.714	10	5		FJBERO
CC(C)CCCCCCCOC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000005758310	717100974	/nfs/dbraw/zinc/10/09/74/717100974.db2.gz	MQTKAFXVDAUFTI-JOCHJYFZSA-N	1	0	350.567	4.637	10	5		FJBERO
CCCCCOc1ccccc1NC(=O)OCC[N+]1(CC)CCCCC1	ZINC000033865732	717122536	/nfs/dbraw/zinc/12/25/36/717122536.db2.gz	ZYTZFHMIWDHLKO-UHFFFAOYSA-O	1	0	363.522	4.825	10	5		FJBERO
CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1	ZINC000038018450	211354497	/nfs/dbraw/zinc/35/44/97/211354497.db2.gz	FCXKICSQRPBBMD-CYBMUJFWSA-N	1	0	355.257	4.660	10	5		FJBERO
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]34C)[C@H]1CC[C@@H]2O	ZINC000006067646	717103429	/nfs/dbraw/zinc/10/34/29/717103429.db2.gz	FXVUCWQYJKTOCD-XRQVTLDISA-N	1	0	360.606	4.999	10	5		FJBERO
CCCCOc1ccc(C(=O)O[C@H](C)[C@H](C)C[N+](CC)(CC)CC)cc1	ZINC000033902357	717123562	/nfs/dbraw/zinc/12/35/62/717123562.db2.gz	KSEIOHBGXUIDHX-RTBURBONSA-N	1	0	364.550	4.923	10	5		FJBERO
COc1cc2[nH+]ccc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2cc1OC	ZINC000065005301	221164289	/nfs/dbraw/zinc/16/42/89/221164289.db2.gz	VWFWGZDEQKJROY-UHFFFAOYSA-N	1	0	359.769	4.557	10	5		FJBERO
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]34C)[C@H]1CC[C@@H]2O	ZINC000006067654	717103734	/nfs/dbraw/zinc/10/37/34/717103734.db2.gz	FXVUCWQYJKTOCD-QYGQCHEXSA-N	1	0	360.606	4.999	10	5		FJBERO
CN(C)C(=O)Oc1ccc2ccccc2c1C[N+](C)(C)Cc1ccccc1	ZINC000001844530	204020426	/nfs/dbraw/zinc/02/04/26/204020426.db2.gz	PYVXRXLSHGRENR-UHFFFAOYSA-N	1	0	363.481	4.677	10	5		FJBERO
CCCCOc1ccc(C(=O)O[C@@H](C)[C@@H](C)C[N+](CC)(CC)CC)cc1	ZINC000033902354	717123618	/nfs/dbraw/zinc/12/36/18/717123618.db2.gz	KSEIOHBGXUIDHX-OALUTQOASA-N	1	0	364.550	4.923	10	5		FJBERO
CCCCCC[C@@H](O)[C@@H](C(=O)OCC[N+](C)(CC)CC)C1CCCCC1	ZINC000005512590	717100360	/nfs/dbraw/zinc/10/03/60/717100360.db2.gz	BCNPEOWGQNBSCA-RTWAWAEBSA-N	1	0	370.598	4.544	10	5		FJBERO
CCCCOc1ccc(C(=O)O[C@H](C)[C@@H](C)C[N+](CC)(CC)CC)cc1	ZINC000033902355	717123473	/nfs/dbraw/zinc/12/34/73/717123473.db2.gz	KSEIOHBGXUIDHX-RBUKOAKNSA-N	1	0	364.550	4.923	10	5		FJBERO
CC[N+]1(C)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	ZINC000033884203	717122996	/nfs/dbraw/zinc/12/29/96/717122996.db2.gz	WDUUAPBVMVHLRW-UHFFFAOYSA-N	1	0	364.340	4.865	10	5		FJBERO
COc1cc2c(cc1OC)C[N+](C)(Cc1ccc(Cl)cc1Cl)CC2	ZINC000002557651	717095209	/nfs/dbraw/zinc/09/52/09/717095209.db2.gz	ZGQCVMOFKRXPLJ-UHFFFAOYSA-N	1	0	367.296	4.714	10	5		FJBERO
CCCCCC[C@@H](O)[C@H](C(=O)OCC[N+](C)(CC)CC)C1CCCCC1	ZINC000005512581	717100083	/nfs/dbraw/zinc/10/00/83/717100083.db2.gz	BCNPEOWGQNBSCA-NHCUHLMSSA-N	1	0	370.598	4.544	10	5		FJBERO
CCC[N+](C)(CCC)CCOC(=O)C1c2ccccc2Oc2ccccc21	ZINC000033505641	717121033	/nfs/dbraw/zinc/12/10/33/717121033.db2.gz	RBGMATRRSDDANL-UHFFFAOYSA-N	1	0	368.497	4.734	10	5		FJBERO
COc1cc2c(cc1OC)C[N@+](C)(Cc1ccc(Cl)cc1Cl)CC2	ZINC000247695327	717164198	/nfs/dbraw/zinc/16/41/98/717164198.db2.gz	ZGQCVMOFKRXPLJ-QFIPXVFZSA-N	1	0	367.296	4.714	10	5		FJBERO
CCOc1cc2[nH+]ccc(Nc3cccc([N+](=O)[O-])c3)c2cc1OCC	ZINC000054202424	221051853	/nfs/dbraw/zinc/05/18/53/221051853.db2.gz	WCVSPFAAEDZMNV-UHFFFAOYSA-N	1	0	353.378	4.684	10	5		FJBERO
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2O	ZINC000031430508	717119684	/nfs/dbraw/zinc/11/96/84/717119684.db2.gz	FXVUCWQYJKTOCD-CHEAGFRLSA-N	1	0	360.606	4.999	10	5		FJBERO
CCCCCC[C@H](O)[C@@H](C(=O)OCC[N+](C)(CC)CC)C1CCCCC1	ZINC000005512430	717100002	/nfs/dbraw/zinc/10/00/02/717100002.db2.gz	BCNPEOWGQNBSCA-SFTDATJTSA-N	1	0	370.598	4.544	10	5		FJBERO
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2O	ZINC000031430503	717119936	/nfs/dbraw/zinc/11/99/36/717119936.db2.gz	FXVUCWQYJKTOCD-FFSLYTIQSA-N	1	0	360.606	4.999	10	5		FJBERO
O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C[N+](c3ccccc3)=N2)cc1	ZINC000005483642	132828626	/nfs/dbraw/zinc/82/86/26/132828626.db2.gz	QSKXXWHZFQIGAB-UHFFFAOYSA-N	1	0	358.381	4.531	10	5		FJBERO
O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)C[N+](c3ccccc3)=N2)c1	ZINC000005483647	132828552	/nfs/dbraw/zinc/82/85/52/132828552.db2.gz	AJYQVFVMHQOKPI-UHFFFAOYSA-N	1	0	358.381	4.531	10	5		FJBERO
CC[N+](C)(C)CCc1cc(OC)c(OC)cc1/C=C\c1ccc(OC)cc1	ZINC000005247811	717099274	/nfs/dbraw/zinc/09/92/74/717099274.db2.gz	AOFKLJJEJSFOQT-FLIBITNWSA-N	1	0	370.513	4.522	10	5		FJBERO
CCCCCC[C@H](O)[C@H](C(=O)OCC[N+](C)(CC)CC)C1CCCCC1	ZINC000005512420	717100259	/nfs/dbraw/zinc/10/02/59/717100259.db2.gz	BCNPEOWGQNBSCA-LEWJYISDSA-N	1	0	370.598	4.544	10	5		FJBERO