smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)cc([O-])c2ccc3ccccc3c21	ZINC000016363574	342910118	/nfs/dbraw/zinc/91/01/18/342910118.db2.gz	MMBWHKBZNBESHC-UHFFFAOYSA-N	-1	1	225.247	2.397	40	5		BEBBMM
CCc1c([O-])c2c(cccc2[N+](=O)[O-])[nH]c1=O	ZINC000685937433	538759047	/nfs/dbraw/zinc/75/90/47/538759047.db2.gz	URPQYGVSDJCDQV-UHFFFAOYSA-N	-1	1	234.211	2.117	40	5		BEBBMM
CCc1c([O-])[nH]c2cccc([N+](=O)[O-])c2c1=O	ZINC000685937433	538759052	/nfs/dbraw/zinc/75/90/52/538759052.db2.gz	URPQYGVSDJCDQV-UHFFFAOYSA-N	-1	1	234.211	2.117	40	5		BEBBMM
O=[N+]([O-])c1c([O-])ccc2nc3ccccc3nc21	ZINC000076495064	491125407	/nfs/dbraw/zinc/12/54/07/491125407.db2.gz	BZPWVQADSFFZHX-UHFFFAOYSA-N	-1	1	241.206	2.397	40	5		BEBBMM
Cc1c(Br)cc([O-])cc1[N+](=O)[O-]	ZINC000014983109	386024680	/nfs/dbraw/zinc/02/46/80/386024680.db2.gz	LLKQWSMTQJRDCZ-UHFFFAOYSA-N	-1	1	232.033	2.371	40	5		BEBBMM
O=[N+]([O-])c1ccc([N-]c2cnns2)cc1	ZINC000006276595	357236806	/nfs/dbraw/zinc/23/68/06/357236806.db2.gz	QSKHUUROOGBPBB-UHFFFAOYSA-N	-1	1	222.229	2.190	40	5		BEBBMM
O=c1cc([O-])[nH]c2c1ccc1ccccc12	ZINC000003944809	352461031	/nfs/dbraw/zinc/46/10/31/352461031.db2.gz	FFMGXYBMJBXONZ-UHFFFAOYSA-N	-1	1	211.220	2.387	40	5		BEBBMM
O=c1cc([O-])c2ccc3ccccc3c2[nH]1	ZINC000003944809	352461033	/nfs/dbraw/zinc/46/10/33/352461033.db2.gz	FFMGXYBMJBXONZ-UHFFFAOYSA-N	-1	1	211.220	2.387	40	5		BEBBMM
O=[N+]([O-])c1c([O-])cc(Cl)nc1Cl	ZINC000002507200	371563814	/nfs/dbraw/zinc/56/38/14/371563814.db2.gz	SSSUJSXIVQIUSV-UHFFFAOYSA-N	-1	1	208.988	2.002	40	5		BEBBMM
CC(C)(C)c1cc(N)c([O-])c([N+](=O)[O-])c1	ZINC000036377926	388019674	/nfs/dbraw/zinc/01/96/74/388019674.db2.gz	DOIZCTMIPKWRDU-UHFFFAOYSA-N	-1	1	210.233	2.180	40	5		BEBBMM