smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccoc1CNC1(CO)CC1	159645323	538033800	/nfs/dbraw/zinc/03/38/00/538033800.db2.gz	LBGUPBMRXTXIOA-UHFFFAOYSA-N	0	1	181.235	1.203	10	70		ADIEMN
Cc1ccc(CNC2(CO)CC2)nc1	159648439	538035703	/nfs/dbraw/zinc/03/57/03/538035703.db2.gz	UJYFGISHYBOKNV-UHFFFAOYSA-N	0	1	192.262	1.005	10	70		ADIEMN
Cc1ccc(CNC2(CO)CC2)o1	159646621	538037378	/nfs/dbraw/zinc/03/73/78/538037378.db2.gz	QWSUGRQGSJCJEQ-UHFFFAOYSA-N	0	1	181.235	1.203	10	70		ADIEMN
CCc1ccc(CNC2(CO)CC2)o1	159653344	538042132	/nfs/dbraw/zinc/04/21/32/538042132.db2.gz	ZSCJBUSHHAWVDT-UHFFFAOYSA-N	0	1	195.262	1.457	10	70		ADIEMN
CCC[SiH2]n1cc(C)nc1C	206572501	572049327	/nfs/dbraw/zinc/04/93/27/572049327.db2.gz	RTPAMPAWZMYKCE-UHFFFAOYSA-N	0	1	168.316	1.260	10	70		ADIEMN
COC(=O)CCC1=CCC[N@@H+](C)C1	217952066	573207180	/nfs/dbraw/zinc/20/71/80/573207180.db2.gz	HWMFJJGXFMUODB-UHFFFAOYSA-N	0	1	183.251	1.202	10	70		ADIEMN
COCCNCc1oc(C)nc1C	159425657	486973269	/nfs/dbraw/zinc/97/32/69/486973269.db2.gz	FSRVFOWFLDGICC-UHFFFAOYSA-N	0	1	184.239	1.027	10	70		ADIEMN
FCCN1CCC(c2ncc[nH]2)CC1	218201913	583491737	/nfs/dbraw/zinc/49/17/37/583491737.db2.gz	RVOBEIVNRDZDQL-UHFFFAOYSA-N	0	1	197.257	1.559	10	70		ADIEMN
C=Cc1ccc2c(c1)C(=N)NC2=N	218522606	166222329	/nfs/dbraw/zinc/22/23/29/166222329.db2.gz	NQPBMRXIENWSNF-UHFFFAOYSA-N	0	1	171.203	1.374	10	70		ADIEMN
NC1=CN=CC[C@@H]1Nc1ccccc1	216624448	171181608	/nfs/dbraw/zinc/18/16/08/171181608.db2.gz	CZXATTOZLCMZNC-NSHDSACASA-N	0	1	187.246	1.742	10	70		ADIEMN
CN(C)Cc1cc(O)cc(F)c1	159968906	344155487	/nfs/dbraw/zinc/15/54/87/344155487.db2.gz	SFAARZJZFCJUNI-UHFFFAOYSA-N	0	1	169.199	1.593	10	70		ADIEMN
Cc1nnc(-c2cncc(F)c2)[nH]1	160138751	344158754	/nfs/dbraw/zinc/15/87/54/344158754.db2.gz	VRCGURBFLOTFSF-UHFFFAOYSA-N	0	1	178.170	1.314	10	70		ADIEMN
CN(C)[C@@H]1CN(C(C)(C)C)CCO1	218241595	344410701	/nfs/dbraw/zinc/41/07/01/344410701.db2.gz	PLXGTHMJQJTLLD-VIFPVBQESA-N	0	1	186.299	1.005	10	70		ADIEMN
CN(C)[C@H]1CN(C(C)(C)C)CCO1	218241648	344410719	/nfs/dbraw/zinc/41/07/19/344410719.db2.gz	PLXGTHMJQJTLLD-SECBINFHSA-N	0	1	186.299	1.005	10	70		ADIEMN
CC(C)[N@@H+]1CCC[C@H]1c1cnc[nH]1	218482524	344412941	/nfs/dbraw/zinc/41/29/41/344412941.db2.gz	JUHCZJCTZLRHTH-JTQLQIEISA-N	0	1	179.267	1.955	10	70		ADIEMN
CSCCNCc1cc(C)no1	159879277	344153491	/nfs/dbraw/zinc/15/34/91/344153491.db2.gz	RJPFBLAAMJUXGU-UHFFFAOYSA-N	0	1	186.280	1.436	10	70		ADIEMN
Cc1cc(F)ccc1-c1n[nH]c(=O)o1	159944640	344154918	/nfs/dbraw/zinc/15/49/18/344154918.db2.gz	UGNGODSIWSJPKG-UHFFFAOYSA-N	0	1	194.165	1.477	10	70		ADIEMN
CCOc1nc2ccc(O)cc2[nH]1	161209053	344187101	/nfs/dbraw/zinc/18/71/01/344187101.db2.gz	IQDZNNNPTNCVML-UHFFFAOYSA-N	0	1	178.191	1.667	10	70		ADIEMN
Cc1ccoc1C(=N)NC(C)C	161322958	344189197	/nfs/dbraw/zinc/18/91/97/344189197.db2.gz	CUOSOLZHQQJHJP-UHFFFAOYSA-N	0	1	166.224	1.911	10	70		ADIEMN
CCNC(=N)c1occc1C	161322172	344189215	/nfs/dbraw/zinc/18/92/15/344189215.db2.gz	JWMCBOBZDRDRFF-UHFFFAOYSA-N	0	1	152.197	1.523	10	70		ADIEMN
CNC(=N)c1occc1C	161321920	344189410	/nfs/dbraw/zinc/18/94/10/344189410.db2.gz	ANRQUEOXBYACQZ-UHFFFAOYSA-N	0	1	138.170	1.133	10	70		ADIEMN
CCC(=O)Nc1nccc2[nH]ccc12	217789787	344405974	/nfs/dbraw/zinc/40/59/74/344405974.db2.gz	ITBGUARMXNRUOS-UHFFFAOYSA-N	0	1	189.218	1.911	10	70		ADIEMN
CC(=O)Nc1nccc2[nH]ccc12	217789668	344406013	/nfs/dbraw/zinc/40/60/13/344406013.db2.gz	HXDDYMXKZYQVLD-UHFFFAOYSA-N	0	1	175.191	1.521	10	70		ADIEMN
CC(C)[N@@H+]1CCC[C@@H]1c1cnc[nH]1	218482451	344412884	/nfs/dbraw/zinc/41/28/84/344412884.db2.gz	JUHCZJCTZLRHTH-SNVBAGLBSA-N	0	1	179.267	1.955	10	70		ADIEMN