smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CN2CCC[N@@H+](Cc3cc(Br)cc(C)c3O)CC2)no1	ZINC000183394828	552307871	/nfs/dbraw/zinc/30/78/71/552307871.db2.gz	KWLAFXIYJPRDSU-UHFFFAOYSA-N	1	1	395.301	2.862	10	10		GFCEMO
CN1CCc2cc(C[N@H+]3CCC[C@@H](c4n[nH]cc4CN4CCOCC4)C3)ccc21	ZINC000328634355	570723382	/nfs/dbraw/zinc/72/33/82/570723382.db2.gz	MQQMSOZDETZFCI-HXUWFJFHSA-N	1	1	395.551	2.614	10	10		GFCEMO
Cn1cc(CN2CCC[N@@H+](Cc3cccc(Br)c3[O-])CC2)cn1	ZINC000121576963	677399692	/nfs/dbraw/zinc/39/96/92/677399692.db2.gz	WQPNRWNGZHMVLT-UHFFFAOYSA-N	1	1	379.302	2.596	10	10		GFCEMO
[O-]c1c(C[NH2+]C2CCOCC2)ccc2c1ccc(O)c2C[NH2+]C1CCOCC1	ZINC000003784962	206292967	/nfs/dbraw/zinc/29/29/67/206292967.db2.gz	KHSZKSPROUCQTK-UHFFFAOYSA-N	1	1	386.492	2.788	10	10		GFCEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1O	ZINC000128499284	551349857	/nfs/dbraw/zinc/34/98/57/551349857.db2.gz	XNHCJZDGRNUCRG-GFCCVEGCSA-N	1	1	381.274	2.667	10	10		GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2O)OCO3)CC[N@H+]1C	ZINC000014612455	207025529	/nfs/dbraw/zinc/02/55/29/207025529.db2.gz	LMGZCSKYOKDBES-SJLPKXTDSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2O)OCO3)CC[N@@H+]1C	ZINC000014612455	207025532	/nfs/dbraw/zinc/02/55/32/207025532.db2.gz	LMGZCSKYOKDBES-SJLPKXTDSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc(N2CC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)[C@H](C)C2)cc1	ZINC000072158645	136167282	/nfs/dbraw/zinc/16/72/82/136167282.db2.gz	MOXXCKVHOLHDKE-QGZVFWFLSA-N	1	1	380.492	2.936	10	10		GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2O)OCO3)CC[N@H+]1C	ZINC000014612456	210123834	/nfs/dbraw/zinc/12/38/34/210123834.db2.gz	LMGZCSKYOKDBES-WMZOPIPTSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2O)OCO3)CC[N@@H+]1C	ZINC000014612456	210123838	/nfs/dbraw/zinc/12/38/38/210123838.db2.gz	LMGZCSKYOKDBES-WMZOPIPTSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1O	ZINC000128499039	551349615	/nfs/dbraw/zinc/34/96/15/551349615.db2.gz	XNHCJZDGRNUCRG-LBPRGKRZSA-N	1	1	381.274	2.667	10	10		GFCEMO
C[N@@H+](Cc1cc(Br)ccc1O)C1CCN(CCn2cccn2)CC1	ZINC000121188637	551229240	/nfs/dbraw/zinc/22/92/40/551229240.db2.gz	FSQVBYLUHHVISG-UHFFFAOYSA-N	1	1	393.329	2.948	10	10		GFCEMO
CN1CCc2cc(C[N@H+]3CCC[C@H](c4n[nH]cc4CN4CCOCC4)C3)ccc21	ZINC000328634354	570723410	/nfs/dbraw/zinc/72/34/10/570723410.db2.gz	MQQMSOZDETZFCI-FQEVSTJZSA-N	1	1	395.551	2.614	10	10		GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2O)OCO3)CC[N@@H+]1C	ZINC000030726937	212116869	/nfs/dbraw/zinc/11/68/69/212116869.db2.gz	LMGZCSKYOKDBES-AEFFLSMTSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2O)OCO3)CC[N@H+]1C	ZINC000030726937	212116868	/nfs/dbraw/zinc/11/68/68/212116868.db2.gz	LMGZCSKYOKDBES-AEFFLSMTSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2O)OCO3)CC[N@H+]1C	ZINC000014612457	221313597	/nfs/dbraw/zinc/31/35/97/221313597.db2.gz	LMGZCSKYOKDBES-FUHWJXTLSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2O)OCO3)CC[N@@H+]1C	ZINC000014612457	221313598	/nfs/dbraw/zinc/31/35/98/221313598.db2.gz	LMGZCSKYOKDBES-FUHWJXTLSA-N	1	1	399.399	2.579	10	10	endogenous,in-man	GFCEMO
COc1ccc(N2CC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)[C@@H](C)C2)cc1	ZINC000072158646	136167199	/nfs/dbraw/zinc/16/71/99/136167199.db2.gz	MOXXCKVHOLHDKE-KRWDZBQOSA-N	1	1	380.492	2.936	10	10		GFCEMO
Cn1cc(CN2CCC[N@@H+](Cc3cc(Br)ccc3O)CC2)cn1	ZINC000121538496	551236452	/nfs/dbraw/zinc/23/64/52/551236452.db2.gz	SKYCPGRFMAMMFP-UHFFFAOYSA-N	1	1	379.302	2.596	10	10		GFCEMO
CCOCC[N@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C	ZINC000245808171	655428607	/nfs/dbraw/zinc/42/86/07/655428607.db2.gz	YXIQGSLYZNUXED-CYBMUJFWSA-N	1	1	387.318	2.706	10	10		GFCEMO
CCOCC[N@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C	ZINC000120868894	677398089	/nfs/dbraw/zinc/39/80/89/677398089.db2.gz	YXIQGSLYZNUXED-ZDUSSCGKSA-N	1	1	387.318	2.706	10	10		GFCEMO
Cc1ccc(N2CCC[N@@H+](Cc3cc(Br)ccc3O)CC2)nn1	ZINC000093151156	655018013	/nfs/dbraw/zinc/01/80/13/655018013.db2.gz	DJPILMAZHWOFMH-UHFFFAOYSA-N	1	1	377.286	2.965	10	10		GFCEMO
Cc1ccc(N2CCC[N@H+](Cc3cccc(Br)c3O)CC2)nn1	ZINC000093271960	655017999	/nfs/dbraw/zinc/01/79/99/655017999.db2.gz	FGRSJIRGUPZCPU-UHFFFAOYSA-N	1	1	377.286	2.965	10	10		GFCEMO
Cc1ccc(N2CCC[N@@H+](Cc3cccc(Br)c3O)CC2)nn1	ZINC000093271960	655018001	/nfs/dbraw/zinc/01/80/01/655018001.db2.gz	FGRSJIRGUPZCPU-UHFFFAOYSA-N	1	1	377.286	2.965	10	10		GFCEMO
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@H+]1CCOC	ZINC000120919086	677398475	/nfs/dbraw/zinc/39/84/75/677398475.db2.gz	SLGDTJSMTSISHI-OAHLLOKOSA-N	1	1	387.318	2.706	10	10		GFCEMO