smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3CCCCCC3)cc2)N1	ZINC000007127778	204289502	/nfs/dbraw/zinc/28/95/02/204289502.db2.gz	CXAZHFXKIKCMDO-LJQANCHMSA-N	0	1	360.465	3.513	10	10		FHCEMN
CN(C)Cc1cccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c1	ZINC000005140478	204194426	/nfs/dbraw/zinc/19/44/26/204194426.db2.gz	QXIXGQFTPKEPOF-UHFFFAOYSA-N	0	1	371.440	3.849	10	10		FHCEMN
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc2ccccc12	ZINC000001406674	132381868	/nfs/dbraw/zinc/38/18/68/132381868.db2.gz	HGYRLQAVCZEEJC-QGOAFFKASA-N	0	1	358.422	3.671	10	10		FHCEMN
CC(C)(C)C(=O)CCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000100375355	210242195	/nfs/dbraw/zinc/24/21/95/210242195.db2.gz	OFVFGKQCUDMLLP-UHFFFAOYSA-N	0	1	364.445	3.993	10	10	in-man	FHCEMN
[O-]c1ccc(-c2nc3ccccc3s2)cc1C[NH2+][C@@H]1CN2CCC1CC2	ZINC000023339728	211385089	/nfs/dbraw/zinc/38/50/89/211385089.db2.gz	JPJVCCVHRIXZFQ-GOSISDBHSA-N	0	1	365.502	3.853	10	10		FHCEMN
Cc1c(Br)c(O)c(O)c(Br)c1Br	ZINC000006068705	210179007	/nfs/dbraw/zinc/17/90/07/210179007.db2.gz	KMNDTYWRUVCTHV-UHFFFAOYSA-N	0	1	360.827	3.694	10	10		FHCEMN
Cn1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c2ccccc21	ZINC000002223370	263144881	/nfs/dbraw/zinc/14/48/81/263144881.db2.gz	QSWQUUJDJUSPKL-QGOAFFKASA-N	0	1	373.412	3.723	10	10		FHCEMN
COc1ccc(-c2c(C)c3cc([O-])c(C[NH+](C)C)cc3oc2=O)cc1OC	ZINC000094993477	221842703	/nfs/dbraw/zinc/84/27/03/221842703.db2.gz	ZJPGUOAADYMAJX-UHFFFAOYSA-N	0	1	369.417	3.553	10	10		FHCEMN
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc([N+](=O)[O-])c1O	ZINC000096193383	222070405	/nfs/dbraw/zinc/07/04/05/222070405.db2.gz	QWZHIXZXMXHELW-DHDCSXOGSA-N	0	1	367.361	3.505	10	10		FHCEMN
CCOc1cccc(CN2Cc3cc(OC)ccc3O[C@H](CC)C2)c1O	ZINC000014995301	220140056	/nfs/dbraw/zinc/14/00/56/220140056.db2.gz	NRFRHZQNEHSVLT-QGZVFWFLSA-N	0	1	357.450	3.973	10	10		FHCEMN