smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)oc1c(CNC[C@H](C)O)cccc1c2=O	ZINC000095590983	185382018	/nfs/dbraw/zinc/38/20/18/185382018.db2.gz	RSCZTQVWKMHIIA-NSHDSACASA-N	0	3	313.353	2.425	1	5		DEBFHN
COc1ccc2nc3cccc(C(=O)NCCN(C)C)c3nc2c1	ZINC000005808516	181285800	/nfs/dbraw/zinc/28/58/00/181285800.db2.gz	KXXQDLYRQKKJLH-UHFFFAOYSA-N	0	3	324.384	2.083	1	5		DEBFHN
O=C1CS[C@@H](c2c(F)cccc2F)N1[C@H]1CCC1[N+](=O)[O-]	ZINC000040428807	183065338	/nfs/dbraw/zinc/06/53/38/183065338.db2.gz	DIEVHEDSLKQSSU-KWBADKCTSA-N	0	3	314.313	2.347	1	5		DEBFHN
CN(C)CCNc1ccc2ncn3c2c1c(=O)c1ccccc13	ZINC000005723876	181277395	/nfs/dbraw/zinc/27/73/95/181277395.db2.gz	ZRCXWSWJMWWTFD-UHFFFAOYSA-N	0	3	306.369	2.412	1	5	in-vivo	DEBFHN
COc1ccc2c(c1)oc1c(CN[C@H](C)CO)cccc1c2=O	ZINC000095590978	185382105	/nfs/dbraw/zinc/38/21/05/185382105.db2.gz	ZGIVCOVEGQBZSM-LLVKDONJSA-N	0	3	313.353	2.425	1	5		DEBFHN
O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1CCC1[N+](=O)[O-]	ZINC000040428805	183065396	/nfs/dbraw/zinc/06/53/96/183065396.db2.gz	DIEVHEDSLKQSSU-NRUUGDAUSA-N	0	3	314.313	2.347	1	5		DEBFHN
Cc1cccc2nc3cccc(C(=O)NCCN(C)C)c3nc12	ZINC000005808499	181285605	/nfs/dbraw/zinc/28/56/05/181285605.db2.gz	KOZAIMBFPZVRMW-UHFFFAOYSA-N	0	3	308.385	2.383	1	5		DEBFHN
O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CCC1[N+](=O)[O-]	ZINC000040428806	183065287	/nfs/dbraw/zinc/06/52/87/183065287.db2.gz	DIEVHEDSLKQSSU-OUJBWJOFSA-N	0	3	314.313	2.347	1	5		DEBFHN
O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CCC1[N+](=O)[O-]	ZINC000040428804	183065362	/nfs/dbraw/zinc/06/53/62/183065362.db2.gz	DIEVHEDSLKQSSU-GBIKHYSHSA-N	0	3	314.313	2.347	1	5		DEBFHN
Cc1ccc2nc3c(cccc3C(=O)NCCN(C)C)nc2c1	ZINC000005808510	181285658	/nfs/dbraw/zinc/28/56/58/181285658.db2.gz	RQWNEKROIHNMQF-UHFFFAOYSA-N	0	3	308.385	2.383	1	5		DEBFHN
CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc21	ZINC000005808486	181285901	/nfs/dbraw/zinc/28/59/01/181285901.db2.gz	WHIXILDYJOJOPD-UHFFFAOYSA-N	0	3	309.369	2.385	1	5		DEBFHN
COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3nc12	ZINC000005808519	181285569	/nfs/dbraw/zinc/28/55/69/181285569.db2.gz	DUTZHQIOKDMYES-UHFFFAOYSA-N	0	3	324.384	2.083	1	5		DEBFHN
COc1cccc2nc3c(cccc3C(=O)NCCN(C)C)nc21	ZINC000005808521	181285632	/nfs/dbraw/zinc/28/56/32/181285632.db2.gz	MPTQOFJVHJLYRK-UHFFFAOYSA-N	0	3	324.384	2.083	1	5		DEBFHN
COc1ccc2nc3c(cccc3C(=O)NCCN(C)C)nc2c1	ZINC000005808501	181285762	/nfs/dbraw/zinc/28/57/62/181285762.db2.gz	JZPFQGHDPGYORO-UHFFFAOYSA-N	0	3	324.384	2.083	1	5		DEBFHN
Cc1cc2nc3ccccc3nc2c(C(=O)NCCN(C)C)c1	ZINC000005808518	181285997	/nfs/dbraw/zinc/28/59/97/181285997.db2.gz	NNRORILCTYSCHJ-UHFFFAOYSA-N	0	3	308.385	2.383	1	5		DEBFHN
COc1ccc2c(c1)oc1c(CNC[C@@H](C)O)cccc1c2=O	ZINC000095590984	185381929	/nfs/dbraw/zinc/38/19/29/185381929.db2.gz	RSCZTQVWKMHIIA-LLVKDONJSA-N	0	3	313.353	2.425	1	5		DEBFHN
COc1ccc2c(c1)oc1c(CN[C@@H](C)CO)cccc1c2=O	ZINC000095588941	185381937	/nfs/dbraw/zinc/38/19/37/185381937.db2.gz	ZGIVCOVEGQBZSM-NSHDSACASA-N	0	3	313.353	2.425	1	5		DEBFHN