smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000002560929	209370244	/nfs/dbraw/zinc/37/02/44/209370244.db2.gz	JVMGTVVMXRSYSH-RMIALFOJSA-N	-1	3	394.428	-1.139	10	0		GAAEHM
COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000006482139	560205710	/nfs/dbraw/zinc/20/57/10/560205710.db2.gz	GHFSCLVMNYRWQP-VFZNBBLXSA-N	-1	3	379.369	-1.323	10	0	in-vitro	GAAEHM
[NH3+][C@@H](CCSC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000008218528	560207311	/nfs/dbraw/zinc/20/73/11/560207311.db2.gz	VNPWVMVYUSNFAW-WFMPWKQPSA-N	-1	3	385.402	-1.726	10	0	in-vitro	GAAEHM
O=C(Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1)c1ccco1	ZINC000009360811	221079190	/nfs/dbraw/zinc/07/91/90/221079190.db2.gz	ODJCTETYPJNKQZ-AKAIJSEGSA-N	-1	3	377.313	-1.424	10	0		GAAEHM
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)c1[n-]c(=O)[nH]c(=O)c1N2	ZINC000013518212	560218285	/nfs/dbraw/zinc/21/82/85/560218285.db2.gz	SGSVWAYHEWEQET-SCRDCRAPSA-N	-1	3	378.385	-1.050	10	0	in-vitro	GAAEHM
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)c1[nH]c(=O)[n-]c(=O)c1N2	ZINC000013518212	560218283	/nfs/dbraw/zinc/21/82/83/560218283.db2.gz	SGSVWAYHEWEQET-SCRDCRAPSA-N	-1	3	378.385	-1.050	10	0	in-vitro	GAAEHM
CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000038446623	207312293	/nfs/dbraw/zinc/31/22/93/207312293.db2.gz	KHIZVDBUAYLZOA-DCAQKATOSA-N	-1	3	387.437	-2.184	10	0		GAAEHM
Nc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1C(=O)C[C@H](N)C(=O)[O-]	ZINC000077300540	209216421	/nfs/dbraw/zinc/21/64/21/209216421.db2.gz	SYBDIVKHFDAAJV-AZGOVCMLSA-N	-1	3	386.357	-2.568	10	0	in-vitro	GAAEHM
Nc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1C(=O)C[C@@H](N)C(=O)[O-]	ZINC000077300546	211129250	/nfs/dbraw/zinc/12/92/50/211129250.db2.gz	SYBDIVKHFDAAJV-MBRIVKJESA-N	-1	3	386.357	-2.568	10	0	in-vitro	GAAEHM
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(I)c(=O)[n-]c1=O	ZINC000142962761	530169045	/nfs/dbraw/zinc/16/90/45/530169045.db2.gz	DUXPOYGBBRNGIT-LTNPLRIYSA-N	-1	3	384.126	-1.857	10	0		GAAEHM
C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000256001423	212138846	/nfs/dbraw/zinc/13/88/46/212138846.db2.gz	SIKRQBHORYFZFT-ICUOPCATSA-N	-1	3	394.428	-1.139	10	0		GAAEHM
C[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000256001424	206285393	/nfs/dbraw/zinc/28/53/93/206285393.db2.gz	SIKRQBHORYFZFT-OXIWPEFWSA-N	-1	3	394.428	-1.139	10	0		GAAEHM