smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000072237697	176346679	/nfs/dbraw/zinc/34/66/79/176346679.db2.gz	LQRCLPYVRALNFB-UHFFFAOYSA-N	-1	1	296.286	3.061	10	5		CGBEMM
Cc1ccc(-c2n[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1	ZINC000072237697	176346680	/nfs/dbraw/zinc/34/66/80/176346680.db2.gz	LQRCLPYVRALNFB-UHFFFAOYSA-N	-1	1	296.286	3.061	10	5		CGBEMM
O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(Cl)[n-]c21	ZINC000035976828	344943442	/nfs/dbraw/zinc/94/34/42/344943442.db2.gz	URHVTYSXZGDAJF-UHFFFAOYSA-N	-1	1	265.578	3.143	10	5		CGBEMM
CC(C)c1ccc(Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000040611065	174353580	/nfs/dbraw/zinc/35/35/80/174353580.db2.gz	KDSIHGZNMYCGOJ-UHFFFAOYSA-N	-1	1	275.264	3.006	10	5		CGBEMM
CC(C)Oc1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040627699	174356988	/nfs/dbraw/zinc/35/69/88/174356988.db2.gz	PIUKKIWJEWWKNI-UHFFFAOYSA-N	-1	1	292.270	3.055	10	5		CGBEMM
COc1ccccc1-c1cc2c(cc([N+](=O)[O-])cc2[O-])[nH]1	ZINC000066089369	274155715	/nfs/dbraw/zinc/15/57/15/274155715.db2.gz	HRLJOLOFQKBDBB-UHFFFAOYSA-N	-1	1	284.271	3.457	10	5		CGBEMM
O=[N+]([O-])c1cccc(-c2ncc(Cl)cc2[O-])c1	ZINC000536952974	330382753	/nfs/dbraw/zinc/38/27/53/330382753.db2.gz	GERSKELNVZZIIE-UHFFFAOYSA-N	-1	1	250.641	3.016	10	5		CGBEMM
COc1cc(CCc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000135848086	346089299	/nfs/dbraw/zinc/08/92/99/346089299.db2.gz	IMVHBDHBJAXOAP-UHFFFAOYSA-N	-1	1	273.288	3.094	10	5		CGBEMM
CC(=O)Oc1cc([O-])c2c(c1)sc1ccccc1c2=O	ZINC000136593555	346091904	/nfs/dbraw/zinc/09/19/04/346091904.db2.gz	GCWBUPTWJIZYCY-UHFFFAOYSA-N	-1	1	286.308	3.046	10	5		CGBEMM
CCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2[O-])c1	ZINC000139025907	346098416	/nfs/dbraw/zinc/09/84/16/346098416.db2.gz	OZIVDIRPIHLFRK-UHFFFAOYSA-N	-1	1	287.271	3.144	10	5		CGBEMM
Cc1cccc(-c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)c1	ZINC000072237698	176346585	/nfs/dbraw/zinc/34/65/85/176346585.db2.gz	TYKRROKPBCVQFH-UHFFFAOYSA-N	-1	1	296.286	3.061	10	5		CGBEMM
Cc1cccc(-c2n[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)n2)c1	ZINC000072237698	176346587	/nfs/dbraw/zinc/34/65/87/176346587.db2.gz	TYKRROKPBCVQFH-UHFFFAOYSA-N	-1	1	296.286	3.061	10	5		CGBEMM
CCOC(=O)c1cc([O-])c(-c2ccccc2)c([N+](=O)[O-])c1	ZINC000196802098	376120825	/nfs/dbraw/zinc/12/08/25/376120825.db2.gz	JEYRRUOEJLXTLA-UHFFFAOYSA-N	-1	1	287.271	3.144	10	5		CGBEMM
CCc1cc2c(=O)c3c(cn4ccccc34)oc2cc1[O-]	ZINC000048554254	345068204	/nfs/dbraw/zinc/06/82/04/345068204.db2.gz	IESGBYCWVOUPPE-UHFFFAOYSA-N	-1	1	279.295	3.467	10	5		CGBEMM
CCc1ccc([O-])c(SC(F)(F)F)c1[N+](=O)[O-]	ZINC000575705712	377978444	/nfs/dbraw/zinc/97/84/44/377978444.db2.gz	JVQUEKUEZVZHCA-UHFFFAOYSA-N	-1	1	267.228	3.475	10	5		CGBEMM