smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(COc2cccc(CN3CCCC3)c2)c1	ZINC000061936354	184196983	/nfs/dbraw/zinc/19/69/83/184196983.db2.gz	YATSPJOTASLNGK-UHFFFAOYSA-N	0	3	312.369	3.770	3	5		DHBFHN
Oc1ccc2c(c1)c1ccccc1c1c2[C@H](O)[C@@H]2CCCN2C1	ZINC000066259098	184399252	/nfs/dbraw/zinc/39/92/52/184399252.db2.gz	SOAYCUPONIFPGN-AZUAARDMSA-N	0	3	305.377	3.710	1	5		DHBFHN
c1ccc2c(c1)oc1c2c2ccccc2nc1N1CCNCC1	ZINC000013742133	134515483	/nfs/dbraw/zinc/51/54/83/134515483.db2.gz	QHAKQBRGFNJPJC-UHFFFAOYSA-N	0	3	303.365	3.544	1	5		DHBFHN
CN1CCC[C@H]1CCNc1ccc2oc3ccccc3c(=O)c2c1	ZINC000015935764	182026014	/nfs/dbraw/zinc/02/60/14/182026014.db2.gz	HWMYZAFWKLKYER-HNNXBMFYSA-N	0	3	322.408	3.842	3	5		DHBFHN
O=[N+]([O-])c1ccc(COc2ccc(CN3CCCC3)cc2)cc1	ZINC000061936344	184196860	/nfs/dbraw/zinc/19/68/60/184196860.db2.gz	YRFSUOQVFITONK-UHFFFAOYSA-N	0	3	312.369	3.770	3	5		DHBFHN
CN1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095575142	185380432	/nfs/dbraw/zinc/38/04/32/185380432.db2.gz	GBRZHHMCHBIKOS-UHFFFAOYSA-N	0	3	316.408	3.621	1	5		DHBFHN
O=[N+]([O-])c1cccc(COc2ccccc2CN2CCCC2)c1	ZINC000061936349	184196906	/nfs/dbraw/zinc/19/69/06/184196906.db2.gz	DNLQQEUQPNRSGD-UHFFFAOYSA-N	0	3	312.369	3.770	3	5		DHBFHN
CCCCCCOc1ccc(C(=O)CCN(C)C)cc1[N+](=O)[O-]	ZINC000042920308	183318031	/nfs/dbraw/zinc/31/80/31/183318031.db2.gz	SQAQWRILRQJLJZ-UHFFFAOYSA-N	0	3	322.405	3.688	1	5		DHBFHN
CN1CCC[C@@H]1CCNc1ccc2oc3ccccc3c(=O)c2c1	ZINC000015935763	182025957	/nfs/dbraw/zinc/02/59/57/182025957.db2.gz	HWMYZAFWKLKYER-OAHLLOKOSA-N	0	3	322.408	3.842	3	5		DHBFHN
CN1CCC[C@@H]1CCNc1ccc2c(c1)oc1ccccc1c2=O	ZINC000015935760	182025477	/nfs/dbraw/zinc/02/54/77/182025477.db2.gz	HDPRCSYTSRPGLU-OAHLLOKOSA-N	0	3	322.408	3.842	3	5		DHBFHN
CN1CCC[C@H]1CCNc1ccc2c(c1)oc1ccccc1c2=O	ZINC000015935761	182025051	/nfs/dbraw/zinc/02/50/51/182025051.db2.gz	HDPRCSYTSRPGLU-HNNXBMFYSA-N	0	3	322.408	3.842	3	5		DHBFHN