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(CNc1ccccc1[N+](=O)[O-])[N-]n1cnc2ccc(S(=O)(=O)[N-]c3ccccc3[N+](=O)[O-])cc2c1=O	ZINC000005579130	561696677	/nfs/dbraw/zinc/69/66/77/561696677.db2.gz	SPYNKZUDTPJNKU-UHFFFAOYSA-N	-2	3	539.486	2.196	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969027	562696015	/nfs/dbraw/zinc/69/60/15/562696015.db2.gz	CIGVKJMTKHXIAR-SFHVURJKSA-N	-3	3	557.539	2.351	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969031	562695978	/nfs/dbraw/zinc/69/59/78/562695978.db2.gz	CIGVKJMTKHXIAR-GOSISDBHSA-N	-3	3	557.539	2.351	1	5		KEBFHL
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969070	562695994	/nfs/dbraw/zinc/69/59/94/562695994.db2.gz	ZUNXPYBCAYDSID-KRWDZBQOSA-N	-3	3	561.502	2.100	1	5		KEBFHL
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969077	562696028	/nfs/dbraw/zinc/69/60/28/562696028.db2.gz	ZUNXPYBCAYDSID-QGZVFWFLSA-N	-3	3	561.502	2.100	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[n-]1	ZINC000052969374	562695983	/nfs/dbraw/zinc/69/59/83/562695983.db2.gz	ZUXDWFIWAFGQAO-INIZCTEOSA-N	-3	3	575.529	2.490	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[n-]1	ZINC000052969377	562696003	/nfs/dbraw/zinc/69/60/03/562696003.db2.gz	ZUXDWFIWAFGQAO-MRXNPFEDSA-N	-3	3	575.529	2.490	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969449	562695997	/nfs/dbraw/zinc/69/59/97/562695997.db2.gz	BAERIOPUAFIERA-SFHVURJKSA-N	-3	3	575.529	2.490	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969456	562696031	/nfs/dbraw/zinc/69/60/31/562696031.db2.gz	BAERIOPUAFIERA-GOSISDBHSA-N	-3	3	575.529	2.490	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969525	562696024	/nfs/dbraw/zinc/69/60/24/562696024.db2.gz	GGQWTPZEQWTCFO-KRWDZBQOSA-N	-3	3	602.536	2.259	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[n-]1	ZINC000052969529	562696006	/nfs/dbraw/zinc/69/60/06/562696006.db2.gz	GGQWTPZEQWTCFO-QGZVFWFLSA-N	-3	3	602.536	2.259	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000053084550	562696214	/nfs/dbraw/zinc/69/62/14/562696214.db2.gz	ZVUINDMVCSKLDD-INIZCTEOSA-N	-3	3	602.536	2.259	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000053084554	562696200	/nfs/dbraw/zinc/69/62/00/562696200.db2.gz	ZVUINDMVCSKLDD-MRXNPFEDSA-N	-3	3	602.536	2.259	1	5		KEBFHL
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000053084708	562696177	/nfs/dbraw/zinc/69/61/77/562696177.db2.gz	YDDIJPAMHSCZLA-KRWDZBQOSA-N	-3	3	561.502	2.100	1	5		KEBFHL
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000053084711	562696180	/nfs/dbraw/zinc/69/61/80/562696180.db2.gz	YDDIJPAMHSCZLA-QGZVFWFLSA-N	-3	3	561.502	2.100	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000053093618	562696246	/nfs/dbraw/zinc/69/62/46/562696246.db2.gz	FFEXMDINYPKTPQ-SFHVURJKSA-N	-3	3	575.529	2.490	1	5		KEBFHL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000053093619	562696264	/nfs/dbraw/zinc/69/62/64/562696264.db2.gz	FFEXMDINYPKTPQ-GOSISDBHSA-N	-3	3	575.529	2.490	1	5		KEBFHL
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[n-]1	ZINC000053093620	562696243	/nfs/dbraw/zinc/69/62/43/562696243.db2.gz	NBPBWGXYOFEOIN-HNNXBMFYSA-N	-3	3	561.502	2.100	1	5		KEBFHL
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[n-]1	ZINC000053093621	562696252	/nfs/dbraw/zinc/69/62/52/562696252.db2.gz	NBPBWGXYOFEOIN-OAHLLOKOSA-N	-3	3	561.502	2.100	1	5		KEBFHL
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NCCCc1c2ccccc2cc2ccccc21)[C@@H](C)O)C(=O)[O-]	ZINC000072126777	562725420	/nfs/dbraw/zinc/72/54/20/562725420.db2.gz	WQNAIFKZOSUNID-LKJHYFBTSA-N	-2	3	636.746	2.344	1	5		KEBFHL
COc1ccc2oc3c(O)c4c(c([O-])c3c([O-])c-2c1=O)-c1c([O-])c(C(=O)N[C@@](C)(CO)C(=O)[O-])c(CC(C)=O)cc1CC4	ZINC000473112283	562898657	/nfs/dbraw/zinc/89/86/57/562898657.db2.gz	CIRUKWHIGGSERO-PMERELPUSA-N	-4	3	593.541	2.240	1	5		KEBFHL
COc1ccc2oc3c(O)c4c(c(=O)c-3c([O-])c2c1[O-])-c1c([O-])c(C(=O)N[C@@](C)(CO)C(=O)[O-])c(CC(C)=O)cc1CC4	ZINC000473112283	562898656	/nfs/dbraw/zinc/89/86/56/562898656.db2.gz	CIRUKWHIGGSERO-PMERELPUSA-N	-4	3	593.541	2.240	1	5		KEBFHL