smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CN2CCCN(Cc3cc(Br)cc(C)c3[O-])CC2)no1	ZINC000183394828	552307880	/nfs/dbraw/zinc/30/78/80/552307880.db2.gz	KWLAFXIYJPRDSU-UHFFFAOYSA-N	-1	3	395.301	2.862	10	10		GFCEHM
Cn1cc(CN2CCCN(Cc3cccc(Br)c3[O-])CC2)cn1	ZINC000121576963	677399699	/nfs/dbraw/zinc/39/96/99/677399699.db2.gz	WQPNRWNGZHMVLT-UHFFFAOYSA-N	-1	3	379.302	2.596	10	10		GFCEHM
Cc1nc(CN2CCCN(Cc3cc(Br)ccc3[O-])CC2)no1	ZINC000179214217	552187511	/nfs/dbraw/zinc/18/75/11/552187511.db2.gz	OHOLLLDCXGXVEU-UHFFFAOYSA-N	-1	3	381.274	2.554	10	10		GFCEHM
CCn1cc([C@H]2CN(Cc3cc(Br)cc(OC)c3[O-])CCO2)cn1	ZINC000191699020	552535317	/nfs/dbraw/zinc/53/53/17/552535317.db2.gz	YCLYWSFLFGDNPM-MRXNPFEDSA-N	-1	3	396.285	2.953	10	10		GFCEHM
Cc1cc(C)n(C[C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n1	ZINC000122520168	551299103	/nfs/dbraw/zinc/29/91/03/551299103.db2.gz	UJYIRFLECNZQBC-INIZCTEOSA-N	-1	3	380.286	2.869	10	10		GFCEHM
O=C([N-]N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1ccncc1	ZINC000002678417	206292100	/nfs/dbraw/zinc/29/21/00/206292100.db2.gz	VHHRSPRKZQNZGR-UKTHLTGXSA-N	-1	3	386.414	2.536	10	10		GFCEHM
Cc1nn(C)c(C)c1CN1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000121429463	655349831	/nfs/dbraw/zinc/34/98/31/655349831.db2.gz	YQZVEKAXNQEVHL-UHFFFAOYSA-N	-1	3	393.329	2.823	10	10		GFCEHM
CCc1noc([C@H](C)N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1	ZINC000121348669	677398810	/nfs/dbraw/zinc/39/88/10/677398810.db2.gz	NWLMMWPRHONDEC-LBPRGKRZSA-N	-1	3	395.301	2.979	10	10		GFCEHM
CCn1cc([C@@H]2CN(Cc3cc(Br)cc(OC)c3[O-])CCO2)cn1	ZINC000191699002	552535237	/nfs/dbraw/zinc/53/52/37/552535237.db2.gz	YCLYWSFLFGDNPM-INIZCTEOSA-N	-1	3	396.285	2.953	10	10		GFCEHM
CCN(Cc1cc(Br)ccc1[O-])c1nn2c(nccc2=O)s1	ZINC000152808690	551440267	/nfs/dbraw/zinc/44/02/67/551440267.db2.gz	HRDAFXWEPURGLD-UHFFFAOYSA-N	-1	3	381.255	2.646	10	10		GFCEHM
Cc1nn(C)c(C)c1CN1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000121453803	677399355	/nfs/dbraw/zinc/39/93/55/677399355.db2.gz	PBYFUXQWNZMSEJ-UHFFFAOYSA-N	-1	3	393.329	2.823	10	10		GFCEHM
Cn1cc(CN2CCCN(Cc3cc(Br)ccc3[O-])CC2)cn1	ZINC000121538496	551236455	/nfs/dbraw/zinc/23/64/55/551236455.db2.gz	SKYCPGRFMAMMFP-UHFFFAOYSA-N	-1	3	379.302	2.596	10	10		GFCEHM
CCc1nnc([C@H]2CN(Cc3cc(Br)cc(C)c3[O-])CCO2)[nH]1	ZINC000183415666	552308742	/nfs/dbraw/zinc/30/87/42/552308742.db2.gz	OCSGWMABWCHFJP-CYBMUJFWSA-N	-1	3	381.274	2.717	10	10		GFCEHM
Cc1cc(C)n(C[C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n1	ZINC000122520356	551299171	/nfs/dbraw/zinc/29/91/71/551299171.db2.gz	UJYIRFLECNZQBC-MRXNPFEDSA-N	-1	3	380.286	2.869	10	10		GFCEHM
CCc1nnc([C@@H]2CN(Cc3cc(Br)cc(C)c3[O-])CCO2)[nH]1	ZINC000183415646	552308758	/nfs/dbraw/zinc/30/87/58/552308758.db2.gz	OCSGWMABWCHFJP-ZDUSSCGKSA-N	-1	3	381.274	2.717	10	10		GFCEHM
O=C([N-]N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1cccnc1	ZINC000027533899	207327400	/nfs/dbraw/zinc/32/74/00/207327400.db2.gz	CXIDEKQRHNYXFY-MDWZMJQESA-N	-1	3	381.442	2.504	10	10		GFCEHM
Cc1noc([C@H](C)N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1	ZINC000121243233	551229974	/nfs/dbraw/zinc/22/99/74/551229974.db2.gz	FZILKKHAZZTIPD-NSHDSACASA-N	-1	3	381.274	2.725	10	10		GFCEHM
CCc1noc([C@@H](C)N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1	ZINC000121348538	677398862	/nfs/dbraw/zinc/39/88/62/677398862.db2.gz	NWLMMWPRHONDEC-GFCCVEGCSA-N	-1	3	395.301	2.979	10	10		GFCEHM
Cc1noc([C@@H](C)N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1	ZINC000121243077	551230254	/nfs/dbraw/zinc/23/02/54/551230254.db2.gz	FZILKKHAZZTIPD-LLVKDONJSA-N	-1	3	381.274	2.725	10	10		GFCEHM
Cc1ccc(N2CCCN(Cc3cccc(Br)c3[O-])CC2)nn1	ZINC000093271960	655018005	/nfs/dbraw/zinc/01/80/05/655018005.db2.gz	FGRSJIRGUPZCPU-UHFFFAOYSA-N	-1	3	377.286	2.965	10	10		GFCEHM