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(Nc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O	ZINC000038171442	205036133	/nfs/dbraw/zinc/03/61/33/205036133.db2.gz	UBXDUTCFYOONBL-UHFFFAOYSA-N	0	1	389.839	4.951	1	5		GJBFMN
O=C(c1ccc(-c2cc3c(ccc4ccccc43)oc2=O)nc1)c1ccccc1O	ZINC000098085077	211380280	/nfs/dbraw/zinc/38/02/80/211380280.db2.gz	BJLIUXOTLCZEBV-UHFFFAOYSA-N	0	1	393.398	4.945	1	5		GJBFMN
C[N+](C)(C)CCO[P@](=O)([O-])OCCCCCC12CC3CC(CC(C3)C1)C2	ZINC000027860267	717115317	/nfs/dbraw/zinc/11/53/17/717115317.db2.gz	YXLOSIFRXFMMCF-UHFFFAOYSA-O	0	1	388.509	4.603	1	5		GJBFMN
CN(c1ccccc1Cl)c1nc2c(-c3nc[nH]n3)cccc2c2cnccc21	ZINC000073404103	222271530	/nfs/dbraw/zinc/27/15/30/222271530.db2.gz	LHJWKHNEQQVHNI-UHFFFAOYSA-N	0	1	386.846	4.989	1	5		GJBFMN
O=c1c2ccccc2oc2cc(O)c(-c3c(O)ccc4ccc(O)cc43)c(O)c21	ZINC000072178630	205317361	/nfs/dbraw/zinc/31/73/61/205317361.db2.gz	JCVXRBUJNBGXCH-UHFFFAOYSA-N	0	1	386.359	4.589	1	5		GJBFMN
CC(=O)c1c(O)c2cc(Cl)cc([N+](=O)[O-])c2nc1Nc1cc(F)cc(F)c1	ZINC000084634016	211172031	/nfs/dbraw/zinc/17/20/31/211172031.db2.gz	RFQGGYRAILCTMW-UHFFFAOYSA-N	0	1	393.733	4.726	1	5		GJBFMN
CCCCN1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@H](O)C1	ZINC000095574556	208235204	/nfs/dbraw/zinc/23/52/04/208235204.db2.gz	UNIRICALLXCIJL-OAQYLSRUSA-N	0	1	395.499	4.668	1	5		GJBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@H]2CCCCN2C1	ZINC000013378557	206262900	/nfs/dbraw/zinc/26/29/00/206262900.db2.gz	ANTGAFQZQJMDNP-OAHLLOKOSA-N	0	1	377.484	4.929	1	5		GJBFMN
C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-]	ZINC000169339445	136197124	/nfs/dbraw/zinc/19/71/24/136197124.db2.gz	NGBZJKWXLGTYPW-GFCCVEGCSA-N	0	1	389.839	4.585	1	5		GJBFMN
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)CCN(C(C)C)C3	ZINC000072317695	222226402	/nfs/dbraw/zinc/22/64/02/222226402.db2.gz	YIPIINKKAYVXRA-UHFFFAOYSA-N	0	1	395.499	4.794	1	5		GJBFMN
Oc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc32)c(Cl)c1	ZINC000073160841	208032810	/nfs/dbraw/zinc/03/28/10/208032810.db2.gz	RRCCIDQPUXDUMY-UHFFFAOYSA-N	0	1	388.818	4.671	1	5		GJBFMN
C[C@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-]	ZINC000169339449	136197109	/nfs/dbraw/zinc/19/71/09/136197109.db2.gz	NGBZJKWXLGTYPW-LBPRGKRZSA-N	0	1	389.839	4.585	1	5		GJBFMN
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@@H]2CCCCN2C1	ZINC000013378556	560215780	/nfs/dbraw/zinc/21/57/80/560215780.db2.gz	ANTGAFQZQJMDNP-HNNXBMFYSA-N	0	1	377.484	4.929	1	5	biogenic,in-vitro	GJBFMN