smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000028707608	553843737	/nfs/dbraw/zinc/84/37/37/553843737.db2.gz	CAYNQHPLZNPBIO-MNUOIFNESA-N	0	3	644.737	0.048	10	0	in-vivo	KCAEHN
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000071788351	553638610	/nfs/dbraw/zinc/63/86/10/553638610.db2.gz	QDSRMRPAGMXZLU-UDIDDNNKSA-N	0	3	604.778	0.639	10	0		KCAEHN
CSCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000072127664	562725745	/nfs/dbraw/zinc/72/57/45/562725745.db2.gz	DBKRFGCAWGMRSR-KEOOTSPTSA-N	0	3	664.874	0.299	10	0		KCAEHN
CSCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000072128875	562726390	/nfs/dbraw/zinc/72/63/90/562726390.db2.gz	MWFSJYBCBLUSQK-XLIKFSOKSA-N	0	3	698.891	0.495	10	0		KCAEHN
NC(=S)NCCC[C@H](N)C(=O)NCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000072130428	553641742	/nfs/dbraw/zinc/64/17/42/553641742.db2.gz	GIJQEPFARCQTRP-CIEVZJJWSA-N	0	3	614.883	0.732	10	0	in-vitro	KCAEHN
CN(CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1	ZINC000072131560	553643144	/nfs/dbraw/zinc/64/31/44/553643144.db2.gz	WETMONLFOJVEKD-UHFFFAOYSA-N	0	3	597.759	0.691	10	0	in-vitro	KCAEHN
O=C(CCO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000077293478	553660289	/nfs/dbraw/zinc/66/02/89/553660289.db2.gz	JEOGEDBYVNQFDA-OFOQQJIRSA-N	0	3	500.592	0.891	10	0	in-vitro	KCAEHN
O=C(CCO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000077293483	553660259	/nfs/dbraw/zinc/66/02/59/553660259.db2.gz	JEOGEDBYVNQFDA-AFTJIJFZSA-N	0	3	500.592	0.891	10	0	in-vitro	KCAEHN
O=C(CCO[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000077293487	553660301	/nfs/dbraw/zinc/66/03/01/553660301.db2.gz	JEOGEDBYVNQFDA-UIPNDDLNSA-N	0	3	500.592	0.891	10	0	in-vitro	KCAEHN
O=C(CCO[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000077293492	553660272	/nfs/dbraw/zinc/66/02/72/553660272.db2.gz	JEOGEDBYVNQFDA-JSLVBRCRSA-N	0	3	500.592	0.891	10	0	in-vitro	KCAEHN
COC(=O)[C@H]1O[C@@H](Oc2ccc3c4c2O[C@H]2C(=O)CC[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311532	553662641	/nfs/dbraw/zinc/66/26/41/553662641.db2.gz	YNIGHJDOOLBUBT-PPJWXUBYSA-N	0	3	657.669	0.892	10	0	in-vitro	KCAEHN
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000085427011	553681707	/nfs/dbraw/zinc/68/17/07/553681707.db2.gz	HMDCCIDELXBHNH-KSEFBTEXSA-N	0	3	823.034	0.871	10	0		KCAEHN
C[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)C1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2C=CCC(=O)[C@@]21C	ZINC000100073599	554203132	/nfs/dbraw/zinc/20/31/32/554203132.db2.gz	CUSXWWXXAPEFHY-JCKMOMEFSA-N	0	3	528.554	0.510	10	0		KCAEHN
CC(C)CN1C[C@@H](O)CNS(=O)(=O)c2ccc(N3CCOCC3)cc2OC[C@@]2(C[C@@H](O)[C@@H](O)C2)C1	ZINC000108318016	571423285	/nfs/dbraw/zinc/42/32/85/571423285.db2.gz	UNXUZAVXAWMKBF-JCUDRXCFSA-N	0	3	513.657	0.015	10	0		KCAEHN