smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](CCSC)[N-]c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016134154	670638881	/nfs/dbraw/zinc/63/88/81/670638881.db2.gz	INCFGGQHLCJJMN-QMMMGPOBSA-N	-2	1	373.343	1.908	50	5		FDBAML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)ccc1[O-]	ZINC000026539639	519127407	/nfs/dbraw/zinc/12/74/07/519127407.db2.gz	LAJZVJPEHHWSAG-UHFFFAOYSA-N	-2	1	361.339	1.682	50	5		FDBAML
COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1OCC(=O)[O-]	ZINC000012371660	207364945	/nfs/dbraw/zinc/36/49/45/207364945.db2.gz	YFOGEHLJFQNLRN-AATRIKPKSA-N	-2	1	363.282	1.026	50	5		FDBAML
Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000013644291	518664920	/nfs/dbraw/zinc/66/49/20/518664920.db2.gz	RGEADOPQGSTIRR-UHFFFAOYSA-N	-2	1	364.339	1.828	50	5		FDBAML
COC(=O)[C@@H](CCSC)[N-]c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016134153	670638934	/nfs/dbraw/zinc/63/89/34/670638934.db2.gz	INCFGGQHLCJJMN-MRVPVSSYSA-N	-2	1	373.343	1.908	50	5		FDBAML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000008767343	518486654	/nfs/dbraw/zinc/48/66/54/518486654.db2.gz	DAGRMUMXRPZWRG-UHFFFAOYSA-N	-2	1	368.323	1.808	50	5		FDBAML
O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000002451280	518242469	/nfs/dbraw/zinc/24/24/69/518242469.db2.gz	YDTBNDVSIIGDTQ-QMMMGPOBSA-N	-2	1	370.305	1.916	50	5		FDBAML
O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000002451279	518242319	/nfs/dbraw/zinc/24/23/19/518242319.db2.gz	YDTBNDVSIIGDTQ-MRVPVSSYSA-N	-2	1	370.305	1.916	50	5		FDBAML
Cc1nn(C)c(C(=O)[N-]n2c(=O)c3ccccc3[n-]c2=S)c1[N+](=O)[O-]	ZINC000102004394	222288792	/nfs/dbraw/zinc/28/87/92/222288792.db2.gz	YILWNRMVIZJDEX-UHFFFAOYSA-N	-2	1	360.355	1.019	50	5		FDBAML
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([O-])c(Br)c2)[nH]1	ZINC000030840436	519394996	/nfs/dbraw/zinc/39/49/96/519394996.db2.gz	UCKWOQZFDRKOMP-IWQZZHSRSA-N	-2	1	354.116	1.610	50	5		FDBAML
Nc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000013195112	518651789	/nfs/dbraw/zinc/65/17/89/518651789.db2.gz	BFOCECPPLWOWSB-UHFFFAOYSA-N	-2	1	365.367	1.995	50	5		FDBAML
NNc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003885827	518280192	/nfs/dbraw/zinc/28/01/92/518280192.db2.gz	HVCPGOYZUNZBCN-UHFFFAOYSA-N	-2	1	352.328	1.379	50	5		FDBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)[O-]	ZINC000012419289	518611128	/nfs/dbraw/zinc/61/11/28/518611128.db2.gz	RBHBEWQWGSWVRQ-HWKANZROSA-N	-2	1	363.282	1.026	50	5		FDBAML
O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001122314	219374381	/nfs/dbraw/zinc/37/43/81/219374381.db2.gz	VVDWGKQKILKMFP-UHFFFAOYSA-N	-2	1	352.324	1.859	50	5		FDBAML