smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](C)C(=O)OCC(N)=O	218177496	166277073	/nfs/dbraw/zinc/27/70/73/166277073.db2.gz	YGNCZCFUYPDXGT-BYPYZUCNSA-N	0	0	188.183	-1.461	20	70		AAIDRN
CNS(=O)(=O)N[C@@H](C)C(=O)OC	160977482	344182139	/nfs/dbraw/zinc/18/21/39/344182139.db2.gz	VDPNTJXJVAODKG-BYPYZUCNSA-N	0	0	196.228	-1.398	20	70		AAIDRN
CCOC(=O)[C@@H](N)C(=O)N(C)C	160044802	344157492	/nfs/dbraw/zinc/15/74/92/344157492.db2.gz	KHBQXQPZXYCZPD-YFKPBYRVSA-N	0	0	174.200	-1.035	20	70		AAIDRN
CCOC(=O)[C@H](N)C(=O)N(C)C	160044678	344157730	/nfs/dbraw/zinc/15/77/30/344157730.db2.gz	KHBQXQPZXYCZPD-RXMQYKEDSA-N	0	0	174.200	-1.035	20	70		AAIDRN
CNC(=O)Cn1ncn(C)c1=O	160442130	344166241	/nfs/dbraw/zinc/16/62/41/344166241.db2.gz	KVUYVRJHDJECHD-UHFFFAOYSA-N	0	0	170.172	-1.672	20	70		AAIDRN
CO[C@H](C)C(=O)N(C)CC(N)=O	160551230	344169494	/nfs/dbraw/zinc/16/94/94/344169494.db2.gz	CXUACVRWOULNAN-RXMQYKEDSA-N	0	0	174.200	-1.035	20	70		AAIDRN
CO[C@@H](C)C(=O)N(C)CC(N)=O	160551091	344169510	/nfs/dbraw/zinc/16/95/10/344169510.db2.gz	CXUACVRWOULNAN-YFKPBYRVSA-N	0	0	174.200	-1.035	20	70		AAIDRN
CNS(=O)(=O)NCc1cc[nH]n1	160772302	344177024	/nfs/dbraw/zinc/17/70/24/344177024.db2.gz	UHVXEQOZHLWRHC-UHFFFAOYSA-N	0	0	190.228	-1.037	20	70		AAIDRN
CNS(=O)(=O)NCc1ncc[nH]1	160786706	344177473	/nfs/dbraw/zinc/17/74/73/344177473.db2.gz	IIDPHXSUXBITFP-UHFFFAOYSA-N	0	0	190.228	-1.037	20	70		AAIDRN
CNS(=O)(=O)NCc1c[nH]cn1	160788797	344177739	/nfs/dbraw/zinc/17/77/39/344177739.db2.gz	OOAINUJPEZEQBU-UHFFFAOYSA-N	0	0	190.228	-1.037	20	70		AAIDRN
CNS(=O)(=O)NCCC(=O)OC	160976527	344182218	/nfs/dbraw/zinc/18/22/18/344182218.db2.gz	IBCSNADXKMOPCC-UHFFFAOYSA-N	0	0	196.228	-1.397	20	70		AAIDRN
CNS(=O)(=O)N[C@H](C)C(=O)OC	160977617	344182231	/nfs/dbraw/zinc/18/22/31/344182231.db2.gz	VDPNTJXJVAODKG-SCSAIBSYSA-N	0	0	196.228	-1.398	20	70		AAIDRN
CNS(=O)(=O)N(C)CC(=O)OC	160975493	344182390	/nfs/dbraw/zinc/18/23/90/344182390.db2.gz	NSFXXLFCNIZXLI-UHFFFAOYSA-N	0	0	196.228	-1.445	20	70		AAIDRN
CCNS(=O)(=O)NCC(=O)OC	161284621	344189044	/nfs/dbraw/zinc/18/90/44/344189044.db2.gz	CNBJNQDEYDXWIP-UHFFFAOYSA-N	0	0	196.228	-1.397	20	70		AAIDRN
COC(=O)[C@H](CO)NC(=O)[C@@H](C)O	218369927	573907683	/nfs/dbraw/zinc/90/76/83/573907683.db2.gz	YVAZYIKZQGUQGG-UHNVWZDZSA-N	0	0	191.183	-1.983	20	70		AAIDRN
Cn1cnn(CCOCCO)c1=O	160406436	538043579	/nfs/dbraw/zinc/04/35/79/538043579.db2.gz	AGVQECIAYVKVCP-UHFFFAOYSA-N	0	0	187.199	-1.409	20	70		AAIDRN
Cn1cnn(CC(=O)NC2CC2)c1=O	160442703	538044231	/nfs/dbraw/zinc/04/42/31/538044231.db2.gz	XZYMVTVFCZLXDZ-UHFFFAOYSA-N	0	0	196.210	-1.140	20	70		AAIDRN
CCNC(=O)Cn1ncn(C)c1=O	160441543	538044849	/nfs/dbraw/zinc/04/48/49/538044849.db2.gz	CKRXIMMAUIXQJA-UHFFFAOYSA-N	0	0	184.199	-1.282	20	70		AAIDRN
CNS(=O)(=O)NCCOCCO	160677429	538049405	/nfs/dbraw/zinc/04/94/05/538049405.db2.gz	CRDADRAZJUNEJW-UHFFFAOYSA-N	0	0	198.244	-1.951	20	70		AAIDRN
CNS(=O)(=O)NC[C@@H](O)COC	160686908	538049987	/nfs/dbraw/zinc/04/99/87/538049987.db2.gz	YJUREIBJMMKVRN-RXMQYKEDSA-N	0	0	198.244	-1.953	20	70		AAIDRN
CO[C@@H](C)C(=O)NC(CO)CO	161171073	538058832	/nfs/dbraw/zinc/05/88/32/538058832.db2.gz	LRQMXUMIPPYTNH-YFKPBYRVSA-N	0	0	177.200	-1.509	20	70		AAIDRN
CN(C)C(=O)Cn1ncn(C)c1=O	161352709	538061201	/nfs/dbraw/zinc/06/12/01/538061201.db2.gz	DJOMDIIWBHWNBL-UHFFFAOYSA-N	0	0	184.199	-1.330	20	70		AAIDRN
CO[C@H](C)C(=O)NC(CO)CO	161171199	538061315	/nfs/dbraw/zinc/06/13/15/538061315.db2.gz	LRQMXUMIPPYTNH-RXMQYKEDSA-N	0	0	177.200	-1.509	20	70		AAIDRN