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(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399226	527375038	/nfs/dbraw/zinc/37/50/38/527375038.db2.gz	DFBWYDIICKWMTI-CQSZACIVSA-N	-1	3	420.385	2.486	40	5		HEBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000016215661	569029894	/nfs/dbraw/zinc/02/98/94/569029894.db2.gz	TWXZVMUIQPVAQZ-UHFFFAOYSA-N	-1	3	414.823	2.279	40	5		HEBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)OCc2cccc(Cl)c2)c([N+](=O)[O-])c1	ZINC000016215667	569029883	/nfs/dbraw/zinc/02/98/83/569029883.db2.gz	UMYIRQGWIWHHTF-UHFFFAOYSA-N	-1	3	414.823	2.279	40	5		HEBBHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071980339	559163579	/nfs/dbraw/zinc/16/35/79/559163579.db2.gz	LZEXOQOEIGDXBX-HNNXBMFYSA-N	-1	3	411.842	2.376	40	5		HEBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000016215670	569029910	/nfs/dbraw/zinc/02/99/10/569029910.db2.gz	GKONIHZPRDKVIO-UHFFFAOYSA-N	-1	3	414.823	2.279	40	5		HEBBHM
COc1c([O-])ccc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-]	ZINC000261364009	569413596	/nfs/dbraw/zinc/41/35/96/569413596.db2.gz	YPYIOOZAVJQRLO-INIZCTEOSA-O	-1	3	414.423	2.453	40	5		HEBBHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071980391	559163562	/nfs/dbraw/zinc/16/35/62/559163562.db2.gz	KXWUVSYBBYECRA-HNNXBMFYSA-N	-1	3	411.842	2.376	40	5		HEBBHM
O=C(NC(=S)Nc1ccccc1[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000408624499	559221935	/nfs/dbraw/zinc/22/19/35/559221935.db2.gz	UTBQQJYEWYIMFV-UHFFFAOYSA-N	-1	3	402.432	2.264	40	5		HEBBHM
Cc1c([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000035686186	569050452	/nfs/dbraw/zinc/05/04/52/569050452.db2.gz	CHRHCVQZYATWEQ-UHFFFAOYSA-N	-1	3	406.395	2.333	40	5		HEBBHM
O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399223	527262239	/nfs/dbraw/zinc/26/22/39/527262239.db2.gz	PTJOYNNXEAKHRS-AWEZNQCLSA-N	-1	3	420.385	2.486	40	5		HEBBHM
COc1c([O-])ccc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-]	ZINC000261364010	569413611	/nfs/dbraw/zinc/41/36/11/569413611.db2.gz	YPYIOOZAVJQRLO-MRXNPFEDSA-O	-1	3	414.423	2.453	40	5		HEBBHM
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399225	527375604	/nfs/dbraw/zinc/37/56/04/527375604.db2.gz	DFBWYDIICKWMTI-AWEZNQCLSA-N	-1	3	420.385	2.486	40	5		HEBBHM
O=C(Nc1ccccc1[N+](=O)[O-])C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399222	527436984	/nfs/dbraw/zinc/43/69/84/527436984.db2.gz	LDOGWKPDUDGXST-GFCCVEGCSA-N	-1	3	420.385	2.486	40	5		HEBBHM
Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CC2	ZINC000012117315	558329062	/nfs/dbraw/zinc/32/90/62/558329062.db2.gz	QGFDZHNWZMRZHB-UHFFFAOYSA-N	-1	3	400.438	2.131	40	5		HEBBHM
O=C(Nc1ccccc1[N+](=O)[O-])C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399221	527436786	/nfs/dbraw/zinc/43/67/86/527436786.db2.gz	LDOGWKPDUDGXST-LBPRGKRZSA-N	-1	3	420.385	2.486	40	5		HEBBHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071980392	559163485	/nfs/dbraw/zinc/16/34/85/559163485.db2.gz	KXWUVSYBBYECRA-OAHLLOKOSA-N	-1	3	411.842	2.376	40	5		HEBBHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071980340	559163565	/nfs/dbraw/zinc/16/35/65/559163565.db2.gz	LZEXOQOEIGDXBX-OAHLLOKOSA-N	-1	3	411.842	2.376	40	5		HEBBHM
O=C(NC(=S)Nc1ccccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000017082362	569273102	/nfs/dbraw/zinc/27/31/02/569273102.db2.gz	KBQLVJQZRXMSSP-UHFFFAOYSA-N	-1	3	402.432	2.264	40	5		HEBBHM
O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399224	527261921	/nfs/dbraw/zinc/26/19/21/527261921.db2.gz	PTJOYNNXEAKHRS-CQSZACIVSA-N	-1	3	420.385	2.486	40	5		HEBBHM
Nn1c(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1[O-]	ZINC000020508409	568619786	/nfs/dbraw/zinc/61/97/86/568619786.db2.gz	HKBQFBGDFRGLIY-UHFFFAOYSA-N	-1	3	400.420	2.394	40	5		HEBBHM