smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)ccc1ccccc12	ZINC000000967819	351283248	/nfs/dbraw/zinc/28/32/48/351283248.db2.gz	YNPNZTXNASCQKK-UHFFFAOYSA-N	0	0	178.234	3.993	50	5	biogenic,in-vitro	AHBARN
Oc1cc2ccccc2c2ccccc12	ZINC000000967824	351283022	/nfs/dbraw/zinc/28/30/22/351283022.db2.gz	DZKIUEHLEXLYKM-UHFFFAOYSA-N	0	0	194.233	3.699	50	5	in-man	AHBARN
Oc1cccc2c1ccc1ccccc12	ZINC000000967826	169459598	/nfs/dbraw/zinc/45/95/98/169459598.db2.gz	GTBXZWADMKOZQJ-UHFFFAOYSA-N	0	0	194.233	3.699	50	5	in-man	AHBARN
Cc1nc2ccccc2c2ccccc12	ZINC000001507976	168958599	/nfs/dbraw/zinc/95/85/99/168958599.db2.gz	IFMDPNYROKZRER-UHFFFAOYSA-N	0	0	193.249	3.696	50	5		AHBARN
Nc1cc2ccccc2c2ccccc12	ZINC000001509324	169288679	/nfs/dbraw/zinc/28/86/79/169288679.db2.gz	KIHQWOBUUIPWAN-UHFFFAOYSA-N	0	0	193.249	3.575	50	5	in-vivo	AHBARN
c1cc2c3c4c(cccc4ccc3c1)C2	ZINC000001569533	351287817	/nfs/dbraw/zinc/28/78/17/351287817.db2.gz	RKZDZWJDQTZDLD-UHFFFAOYSA-N	0	0	190.245	3.897	50	5		AHBARN
Nc1ccc2ccc3ccccc3c2c1	ZINC000001577019	169294338	/nfs/dbraw/zinc/29/43/38/169294338.db2.gz	HUWRJSZODLRHMY-UHFFFAOYSA-N	0	0	193.249	3.575	50	5		AHBARN
c1ccc2cc3ccccc3cc2c1	ZINC000001586329	351289250	/nfs/dbraw/zinc/28/92/50/351289250.db2.gz	MWPLVEDNUUSJAV-UHFFFAOYSA-N	0	0	178.234	3.993	50	5	biogenic,in-vitro	AHBARN
Nc1ccc2cc3ccccc3cc2c1	ZINC000001593346	169294433	/nfs/dbraw/zinc/29/44/33/169294433.db2.gz	YCSBALJAGZKWFF-UHFFFAOYSA-N	0	0	193.249	3.575	50	5	in-vitro	AHBARN
Nc1ccc2c(ccc3ccccc32)c1	ZINC000001594841	169294325	/nfs/dbraw/zinc/29/43/25/169294325.db2.gz	ZEAWSFHWVLOENK-UHFFFAOYSA-N	0	0	193.249	3.575	50	5		AHBARN
Oc1cccc2cc3ccccc3cc12	ZINC000001661479	351292036	/nfs/dbraw/zinc/29/20/36/351292036.db2.gz	MUVQKFGNPGZBII-UHFFFAOYSA-N	0	0	194.233	3.699	50	5	in-vitro	AHBARN
Oc1ccc2ccc3ccccc3c2c1	ZINC000001661480	351292566	/nfs/dbraw/zinc/29/25/66/351292566.db2.gz	NGPOABOEXMDQBT-UHFFFAOYSA-N	0	0	194.233	3.699	50	5	in-man	AHBARN
Oc1c2ccccc2cc2ccccc21	ZINC000001671624	342956370	/nfs/dbraw/zinc/95/63/70/342956370.db2.gz	AUKRYONWZHRJRE-UHFFFAOYSA-N	0	0	194.233	3.699	50	5	biogenic,in-vitro	AHBARN
Cc1ccc2c(ccc3ccccc32)n1	ZINC000001680651	168853395	/nfs/dbraw/zinc/85/33/95/168853395.db2.gz	SUHRSZJZYUCLOD-UHFFFAOYSA-N	0	0	193.249	3.696	50	5		AHBARN
Nc1cccc2cc3ccccc3cc12	ZINC000001689948	169297921	/nfs/dbraw/zinc/29/79/21/169297921.db2.gz	YUENFNPLGJCNRB-UHFFFAOYSA-N	0	0	193.249	3.575	50	5	in-vivo	AHBARN
Oc1ccc2cc3ccccc3cc2c1	ZINC000001758142	351299368	/nfs/dbraw/zinc/29/93/68/351299368.db2.gz	BQBWUVWMUXGILF-UHFFFAOYSA-N	0	0	194.233	3.699	50	5	in-vitro	AHBARN
c1cc2[nH]c3cccc4ccc(c1)c2c34	ZINC000002040924	351302970	/nfs/dbraw/zinc/30/29/70/351302970.db2.gz	VQOUCGZKKPJLGH-UHFFFAOYSA-N	0	0	191.233	3.912	50	5		AHBARN
c1cc2ccc3cccc4ccc1n2c43	ZINC000003847076	351320548	/nfs/dbraw/zinc/32/05/48/351320548.db2.gz	DIXAUUCCITYOIK-UHFFFAOYSA-N	0	0	191.233	3.684	50	5		AHBARN
Cc1c2ccccc2nc2ccccc12	ZINC000004115667	342987405	/nfs/dbraw/zinc/98/74/05/342987405.db2.gz	FLDRLXJNISEWNZ-UHFFFAOYSA-N	0	0	193.249	3.696	50	5		AHBARN
Cc1cccc2cc3ccccc3nc12	ZINC000004168081	342987924	/nfs/dbraw/zinc/98/79/24/342987924.db2.gz	SKLZCRNUJKGGRW-UHFFFAOYSA-N	0	0	193.249	3.696	50	5		AHBARN
Cc1cccc2nc3ccccc3cc12	ZINC000004181315	342987892	/nfs/dbraw/zinc/98/78/92/342987892.db2.gz	VXGOQVMIGNMUGC-UHFFFAOYSA-N	0	0	193.249	3.696	50	5		AHBARN
c1ccc2[s+]c3ccccc3nc2c1	ZINC000006345376	351351228	/nfs/dbraw/zinc/35/12/28/351351228.db2.gz	LTOOVISGEYEBFR-UHFFFAOYSA-N	0	0	198.270	3.731	50	5		AHBARN
Cc1ccnc2c1ccc1ccccc12	ZINC000037866103	168891608	/nfs/dbraw/zinc/89/16/08/168891608.db2.gz	RYLSMBLMTHOIEW-UHFFFAOYSA-N	0	0	193.249	3.696	50	5		AHBARN
c1cc2cccc3ccccc(c1)c23	ZINC000071786300	169481761	/nfs/dbraw/zinc/48/17/61/169481761.db2.gz	LJMPQFUGXWHZLZ-UHFFFAOYSA-N	0	0	178.234	3.993	50	5		AHBARN