smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=Cc2ccccn2)C(=O)N1	ZINC000003157667	346555730	/nfs/dbraw/zinc/55/57/30/346555730.db2.gz	XOWWEYYMXKVOOB-UHFFFAOYSA-N	0	1	217.184	-0.169	50	10		BBCAMN
CC[C@H](C)NC=C1C(=O)NC(=O)NC1=O	ZINC000005686598	171339928	/nfs/dbraw/zinc/33/99/28/171339928.db2.gz	IALPNQFDEZWYCI-YFKPBYRVSA-N	0	1	211.221	-0.376	50	10		BBCAMN
CC(C)CNC=C1C(=O)NC(=O)NC1=O	ZINC000005832301	167002823	/nfs/dbraw/zinc/00/28/23/167002823.db2.gz	NWRSFLXWYIYDCH-UHFFFAOYSA-N	0	1	211.221	-0.518	50	10		BBCAMN
O=C1NC(=O)C(=CNC[C@@H]2CCCO2)C(=O)N1	ZINC000006192235	635354743	/nfs/dbraw/zinc/35/47/43/635354743.db2.gz	PNDSJHGVIOIOHJ-LURJTMIESA-N	0	1	239.231	-0.995	50	10		BBCAMN
CCn1cc(C=C2C(=O)NC(=O)NC2=O)cn1	ZINC000006490303	172158205	/nfs/dbraw/zinc/15/82/05/172158205.db2.gz	VKWZBMXLHUFAMF-UHFFFAOYSA-N	0	1	234.215	-0.348	50	10		BBCAMN
O=C1NC(=O)C(=CNC[C@H]2CCCO2)C(=O)N1	ZINC000006492897	635387425	/nfs/dbraw/zinc/38/74/25/635387425.db2.gz	PNDSJHGVIOIOHJ-ZCFIWIBFSA-N	0	1	239.231	-0.995	50	10		BBCAMN
CC[C@@H](C)NC=C1C(=O)NC(=O)NC1=O	ZINC000006573825	342779589	/nfs/dbraw/zinc/77/95/89/342779589.db2.gz	IALPNQFDEZWYCI-RXMQYKEDSA-N	0	1	211.221	-0.376	50	10		BBCAMN
O=C1NC(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N1	ZINC000006765351	182791403	/nfs/dbraw/zinc/79/14/03/182791403.db2.gz	PJCLRLDOILEINS-UHFFFAOYSA-N	0	1	248.194	-0.153	50	10	biogenic,in-vitro	BBCAMN
Cn1nccc1C=C1C(=O)NC(=O)NC1=O	ZINC000006827594	387918666	/nfs/dbraw/zinc/91/86/66/387918666.db2.gz	VDUNZQAGEJNNSG-UHFFFAOYSA-N	0	1	220.188	-0.831	50	10		BBCAMN
O=C1NC(=O)C(=CNCc2ccco2)C(=O)N1	ZINC000006999839	342787417	/nfs/dbraw/zinc/78/74/17/342787417.db2.gz	VFZJKRWPSCWVLV-UHFFFAOYSA-N	0	1	235.199	-0.381	50	10		BBCAMN
O=C1NC(=O)C(=CNc2cnccn2)C(=O)N1	ZINC000008520995	372749483	/nfs/dbraw/zinc/74/94/83/372749483.db2.gz	NQXREHLFFIXUTB-UHFFFAOYSA-N	0	1	233.187	-0.862	50	10		BBCAMN
O=C1NC(=O)C(=CNc2nccs2)C(=O)N1	ZINC000010272055	374285593	/nfs/dbraw/zinc/28/55/93/374285593.db2.gz	CIKRZDFOWFEISX-UHFFFAOYSA-N	0	1	238.228	-0.195	50	10		BBCAMN
O=C1NC(=O)C(=Cc2ccncc2)C(=O)N1	ZINC000015953407	347137485	/nfs/dbraw/zinc/13/74/85/347137485.db2.gz	HUPODFHCNLKIGW-UHFFFAOYSA-N	0	1	217.184	-0.169	50	10		BBCAMN
O=C1NC(=O)C(=CNc2cccnc2)C(=O)N1	ZINC000017174053	342921856	/nfs/dbraw/zinc/92/18/56/342921856.db2.gz	MMXPVCMPPOKIMA-UHFFFAOYSA-N	0	1	232.199	-0.257	50	10		BBCAMN
CCCCNC=C1C(=O)NC(=O)NC1=O	ZINC000019595377	384529006	/nfs/dbraw/zinc/52/90/06/384529006.db2.gz	RYNPELLBQFOMHN-UHFFFAOYSA-N	0	1	211.221	-0.374	50	10		BBCAMN
CCn1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cn1	ZINC000020607378	172150186	/nfs/dbraw/zinc/15/01/86/172150186.db2.gz	JNNBGZNKZLCIAZ-YWEYNIOJSA-N	0	1	248.242	-0.005	50	10		BBCAMN
CCOC(=O)C(=O)[C@@H]1C(=O)C(C)=C(O)C1=O	ZINC000100083984	170184915	/nfs/dbraw/zinc/18/49/15/170184915.db2.gz	ZOZZQXRJOZKHSK-CRCLSJGQSA-N	0	1	226.184	-0.908	50	10		BBCAMN
CCOC(=O)C(=O)[C@H]1C(=O)C(C)=C(O)C1=O	ZINC000100083989	170184165	/nfs/dbraw/zinc/18/41/65/170184165.db2.gz	ZOZZQXRJOZKHSK-WHFBIAKZSA-N	0	1	226.184	-0.908	50	10		BBCAMN
CCOC(=O)C(=O)[C@@H]1C(=O)C(C)=C(O)C1=O	ZINC000100083992	170185079	/nfs/dbraw/zinc/18/50/79/170185079.db2.gz	ZOZZQXRJOZKHSK-RFZPGFLSSA-N	0	1	226.184	-0.908	50	10		BBCAMN
CCOC(=O)C(=O)[C@H]1C(=O)C(C)=C(O)C1=O	ZINC000100083993	170184097	/nfs/dbraw/zinc/18/40/97/170184097.db2.gz	ZOZZQXRJOZKHSK-UHNVWZDZSA-N	0	1	226.184	-0.908	50	10		BBCAMN
CC1(C)OC(=O)C(C=NC2C=NN=C2)C(=O)O1	ZINC000106366287	411160790	/nfs/dbraw/zinc/16/07/90/411160790.db2.gz	ZGCLYJZVYFDOML-UHFFFAOYSA-N	0	1	237.215	-0.265	50	10		BBCAMN