smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cnn(-c2ccccc2)n1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217599579	569449741	/nfs/dbraw/zinc/44/97/41/569449741.db2.gz	PELIXDDEMMEFJT-XMMPIXPASA-N	1	0	445.567	3.553	50	70		IHIARO
COc1ccc2cc(C(=O)N3CCC([NH+]4CCC(Oc5nccs5)CC4)CC3)[nH]c2c1	ZINC000217593630	569449697	/nfs/dbraw/zinc/44/96/97/569449697.db2.gz	CRQCEMXJTFLTLX-UHFFFAOYSA-N	1	0	440.569	3.781	50	70		IHIARO
Cn1nc(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217742392	569452475	/nfs/dbraw/zinc/45/24/75/569452475.db2.gz	BWVRGYZEWUOEER-QFBILLFUSA-N	1	0	431.378	3.844	50	70	biogenic	IHIARO
CC(=O)Nc1ccc(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1	ZINC000217598681	569449725	/nfs/dbraw/zinc/44/97/25/569449725.db2.gz	SOFYKEDASHZDOP-AREMUKBSSA-N	1	0	449.595	3.860	50	70		IHIARO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217600340	569449762	/nfs/dbraw/zinc/44/97/62/569449762.db2.gz	LKKJSGBHYLSKSR-OAQYLSRUSA-N	1	0	434.540	3.956	50	70		IHIARO
Cc1ccc(C(=O)Nc2ccc(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2)c(=O)n1C	ZINC000217996651	569455644	/nfs/dbraw/zinc/45/56/44/569455644.db2.gz	VEVJAVPMWFYRRJ-FXAWDEMLSA-N	1	0	426.586	3.698	50	70	biogenic	IHIARO
Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1ccc(Br)cc1	ZINC000217634173	569450660	/nfs/dbraw/zinc/45/06/60/569450660.db2.gz	ZENVVZXTOQNRNR-OXJNMPFZSA-N	1	0	431.378	3.938	50	70	biogenic	IHIARO
O=c1occ(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([O-])c1C[NH+]1CCCC1	ZINC000218217315	557182689	/nfs/dbraw/zinc/18/26/89/557182689.db2.gz	HRUFCKOFPPSRKN-UHFFFAOYSA-N	1	0	438.355	3.570	50	70		IHIARO
O=C(c1cnn(-c2ccccc2)n1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217599496	569449745	/nfs/dbraw/zinc/44/97/45/569449745.db2.gz	PELIXDDEMMEFJT-DEOSSOPVSA-N	1	0	445.567	3.553	50	70		IHIARO
O=c1cc(C[NH+]2CCCCCC2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O	ZINC000218321352	568741571	/nfs/dbraw/zinc/74/15/71/568741571.db2.gz	OOGUXAFLFCGUCM-DHZHZOJOSA-N	1	0	437.584	3.552	50	70		IHIARO
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217592957	569449657	/nfs/dbraw/zinc/44/96/57/569449657.db2.gz	DACHHMFORLFKSE-UHFFFAOYSA-N	1	0	437.569	3.681	50	70		IHIARO
CC(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1	ZINC000217599087	569449770	/nfs/dbraw/zinc/44/97/70/569449770.db2.gz	NNRJNHCLJDDZCI-RUZDIDTESA-N	1	0	435.568	3.931	50	70		IHIARO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217600264	569449803	/nfs/dbraw/zinc/44/98/03/569449803.db2.gz	LKKJSGBHYLSKSR-NRFANRHFSA-N	1	0	434.540	3.956	50	70		IHIARO
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000218184960	557181132	/nfs/dbraw/zinc/18/11/32/557181132.db2.gz	GCVJLBQRYYQZKY-VWLOTQADSA-N	1	0	443.595	3.897	50	70		IHIARO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591378	569449520	/nfs/dbraw/zinc/44/95/20/569449520.db2.gz	PWSAXHQPQYHNDP-UHFFFAOYSA-N	1	0	438.503	3.957	50	70		IHIARO
O=S(=O)(c1ccccc1F)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591687	569449501	/nfs/dbraw/zinc/44/95/01/569449501.db2.gz	BZRZGDYHRBMZJS-UHFFFAOYSA-N	1	0	436.524	3.661	50	70		IHIARO
CC(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1	ZINC000217599170	569449798	/nfs/dbraw/zinc/44/97/98/569449798.db2.gz	NNRJNHCLJDDZCI-VWLOTQADSA-N	1	0	435.568	3.931	50	70		IHIARO
CC(=O)Nc1ccc(CC(=O)N2CCC([N@@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1	ZINC000217598771	569449743	/nfs/dbraw/zinc/44/97/43/569449743.db2.gz	SOFYKEDASHZDOP-SANMLTNESA-N	1	0	449.595	3.860	50	70		IHIARO
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000218184880	557180980	/nfs/dbraw/zinc/18/09/80/557180980.db2.gz	GCVJLBQRYYQZKY-RUZDIDTESA-N	1	0	443.595	3.897	50	70		IHIARO
O=C(c1ccc(Br)o1)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217593195	569449641	/nfs/dbraw/zinc/44/96/41/569449641.db2.gz	UUQMUEASBRQWHN-UHFFFAOYSA-N	1	0	440.363	3.647	50	70		IHIARO