smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc(Cl)c(NS(=O)(=O)c2cccc3nsnc32)c1)N1CCCCC1	ZINC000035065143	563089157	/nfs/dbraw/zinc/08/91/57/563089157.db2.gz	CCDTWPNSOQZORV-UHFFFAOYSA-N	0	0	436.946	3.772	20	10		IHCDRN
O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000756380538	1126108057	/nfs/dbraw/zinc/10/80/57/1126108057.db2.gz	RWIZOCNBXSZLQT-SFHVURJKSA-N	0	0	427.303	3.755	20	10		IHCDRN
Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2[O-])cc1	ZINC000786578220	1126110055	/nfs/dbraw/zinc/11/00/55/1126110055.db2.gz	DEZOZVUKLFQBBJ-OAHLLOKOSA-N	0	0	429.152	3.919	20	10		IHCDRN
Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2[O-])c1	ZINC000786579273	1126110058	/nfs/dbraw/zinc/11/00/58/1126110058.db2.gz	OFADDLLKGKALJU-OAHLLOKOSA-N	0	0	429.152	3.919	20	10		IHCDRN
[O-]c1c(Br)cc(Br)cc1C[NH2+]C1(CO)Cc2ccccc2C1	ZINC000776175836	1126109437	/nfs/dbraw/zinc/10/94/37/1126109437.db2.gz	VDUQURQECJLXQU-UHFFFAOYSA-N	0	0	427.136	3.537	20	10		IHCDRN
Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-]	ZINC000786580255	1126110049	/nfs/dbraw/zinc/11/00/49/1126110049.db2.gz	ZKUFAGNAMHTTIG-OAHLLOKOSA-N	0	0	429.152	3.919	20	10		IHCDRN
[O-]c1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1	ZINC000776252053	1126109498	/nfs/dbraw/zinc/10/94/98/1126109498.db2.gz	MESRXAXNGSLPNX-AWEZNQCLSA-N	0	0	433.115	3.750	20	10		IHCDRN
COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cc1OC	ZINC001461737111	1126197034	/nfs/dbraw/zinc/19/70/34/1126197034.db2.gz	UDISUGNUJNZVQO-LJQANCHMSA-N	0	0	444.753	3.909	20	10		IHCDRN
COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl	ZINC000020920556	521975649	/nfs/dbraw/zinc/97/56/49/521975649.db2.gz	BLFLKSZDGFDHEZ-SXGWCWSVSA-N	0	0	434.926	3.855	20	10		IHCDRN
CCN(CC)c1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1F	ZINC000756377991	1126107873	/nfs/dbraw/zinc/10/78/73/1126107873.db2.gz	COCPZQROSOSAIH-FQEVSTJZSA-N	0	0	428.464	3.847	20	10		IHCDRN
[O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1	ZINC000776252054	1126109460	/nfs/dbraw/zinc/10/94/60/1126109460.db2.gz	MESRXAXNGSLPNX-CQSZACIVSA-N	0	0	433.115	3.750	20	10		IHCDRN
CCN(CC)c1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1F	ZINC000756377992	1126107805	/nfs/dbraw/zinc/10/78/05/1126107805.db2.gz	COCPZQROSOSAIH-HXUWFJFHSA-N	0	0	428.464	3.847	20	10		IHCDRN
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cc1OC	ZINC001461737107	1126196911	/nfs/dbraw/zinc/19/69/11/1126196911.db2.gz	UDISUGNUJNZVQO-IBGZPJMESA-N	0	0	444.753	3.909	20	10		IHCDRN
Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2[O-])cc1	ZINC000786578218	1126110081	/nfs/dbraw/zinc/11/00/81/1126110081.db2.gz	DEZOZVUKLFQBBJ-HNNXBMFYSA-N	0	0	429.152	3.919	20	10		IHCDRN
O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000756380534	1126108065	/nfs/dbraw/zinc/10/80/65/1126108065.db2.gz	RWIZOCNBXSZLQT-GOSISDBHSA-N	0	0	427.303	3.755	20	10		IHCDRN
Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-]	ZINC000786580254	1126109988	/nfs/dbraw/zinc/10/99/88/1126109988.db2.gz	ZKUFAGNAMHTTIG-HNNXBMFYSA-N	0	0	429.152	3.919	20	10		IHCDRN
Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2[O-])c1	ZINC000786579270	1126110148	/nfs/dbraw/zinc/11/01/48/1126110148.db2.gz	OFADDLLKGKALJU-HNNXBMFYSA-N	0	0	429.152	3.919	20	10		IHCDRN
COc1ccc(CCNc2nnc(Sc3ncc([N+](=O)[O-])s3)s2)cc1OC	ZINC000045358419	563132920	/nfs/dbraw/zinc/13/29/20/563132920.db2.gz	IFYDDUABVTWOCJ-UHFFFAOYSA-N	0	0	425.517	3.726	20	10		IHCDRN