smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CN2CCC(c3nc4ccc(-c5cccs5)cn4n3)CC2)cc1	ZINC000096155795	559099989	/nfs/dbraw/zinc/09/99/89/559099989.db2.gz	GLDLOUNZBOPCQC-UHFFFAOYSA-N	0	3	417.582	4.903	40	10		HJCBHN
CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3ccccc3[O-])C2)cc1	ZINC000020503251	575369725	/nfs/dbraw/zinc/36/97/25/575369725.db2.gz	CWHNLIQWXKMTKB-FXAWDEMLSA-N	0	3	418.562	4.562	40	10	biogenic,in-vitro	HJCBHN
CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccccc3[O-])C2)cc1	ZINC000020503251	575369731	/nfs/dbraw/zinc/36/97/31/575369731.db2.gz	CWHNLIQWXKMTKB-FXAWDEMLSA-N	0	3	418.562	4.562	40	10	biogenic,in-vitro	HJCBHN
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc21	ZINC000005008979	557625213	/nfs/dbraw/zinc/62/52/13/557625213.db2.gz	YLWFLLTTWGXTFH-UHFFFAOYSA-N	0	3	407.495	4.820	40	10		HJCBHN
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)c(OC)c1	ZINC000004773059	557596675	/nfs/dbraw/zinc/59/66/75/557596675.db2.gz	SPMXAUDSAYVFOR-UHFFFAOYSA-N	0	3	407.495	4.902	40	10		HJCBHN
Cc1ccc(CN2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1	ZINC000044910654	524433519	/nfs/dbraw/zinc/43/35/19/524433519.db2.gz	NIWBJJXKQGYMGN-UHFFFAOYSA-N	0	3	405.586	4.514	40	10		HJCBHN
COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(N(C)C)cc4)C3)c2C)cc1	ZINC000015673882	291277381	/nfs/dbraw/zinc/27/73/81/291277381.db2.gz	PSQJCJHBEDOKFE-FGZHOGPDSA-N	0	3	416.569	4.766	40	10	biogenic,in-vitro	HJCBHN
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1	ZINC000223509688	568550643	/nfs/dbraw/zinc/55/06/43/568550643.db2.gz	NLQBZLZRGKDYJH-OAQYLSRUSA-N	0	3	413.993	4.715	40	10		HJCBHN
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1	ZINC000223509745	568550626	/nfs/dbraw/zinc/55/06/26/568550626.db2.gz	NLQBZLZRGKDYJH-NRFANRHFSA-N	0	3	413.993	4.715	40	10		HJCBHN
CCOc1ccc(CNC2(c3ccccc3OC)CCCC2)cc1Cn1ccnc1	ZINC000012116970	558328894	/nfs/dbraw/zinc/32/88/94/558328894.db2.gz	AEGLBECEGFPJEQ-UHFFFAOYSA-N	0	3	405.542	4.898	40	10		HJCBHN
CCOc1ccc(CNC2(c3ccc(OC)cc3)CCCC2)cc1Cn1ccnc1	ZINC000012147579	558338353	/nfs/dbraw/zinc/33/83/53/558338353.db2.gz	KAFZAQRITUYGJS-UHFFFAOYSA-N	0	3	405.542	4.898	40	10		HJCBHN
Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(Cc3ccc(N)cc3)CC2)on1	ZINC000072353525	558950484	/nfs/dbraw/zinc/95/04/84/558950484.db2.gz	BUERNTULJPTHIT-UHFFFAOYSA-N	0	3	405.546	4.699	40	10		HJCBHN
Cc1cc(CN(CCCn2ccnc2)Cc2cccc(F)c2)c(C)n1-c1ccccn1	ZINC000036740188	558801617	/nfs/dbraw/zinc/80/16/17/558801617.db2.gz	NTDAKQIKYJZZTA-UHFFFAOYSA-N	0	3	417.532	4.917	40	10		HJCBHN
CC1(C)c2ccccc2NC1=C[C@H]([N-]C(=O)[n+]1ccccc1)C(Cl)(Cl)Cl	ZINC000101409765	559146854	/nfs/dbraw/zinc/14/68/54/559146854.db2.gz	YTAMOBZUKLNHRB-IRVMHKCDSA-O	0	3	411.740	4.558	40	10		HJCBHN
CC1(C)c2ccccc2NC1=C[C@@H]([N-]C(=O)[n+]1ccccc1)C(Cl)(Cl)Cl	ZINC000101409770	559146844	/nfs/dbraw/zinc/14/68/44/559146844.db2.gz	YTAMOBZUKLNHRB-RTYFKUQISA-O	0	3	411.740	4.558	40	10		HJCBHN
CCN(CC)c1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(C)c1	ZINC000012222118	558356033	/nfs/dbraw/zinc/35/60/33/558356033.db2.gz	HKWNCSBFGWZTFX-UHFFFAOYSA-N	0	3	405.546	4.666	40	10		HJCBHN
Cc1cccc(CN2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1	ZINC000044910651	524386111	/nfs/dbraw/zinc/38/61/11/524386111.db2.gz	NPBUHSIMYAPRLB-UHFFFAOYSA-N	0	3	405.586	4.514	40	10		HJCBHN
CC1CCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)CC1	ZINC000044910718	521022166	/nfs/dbraw/zinc/02/21/66/521022166.db2.gz	ZLIKXIVQEBHQKK-UHFFFAOYSA-N	0	3	405.586	4.839	40	10		HJCBHN