smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O	ZINC000014763066	560225746	/nfs/dbraw/zinc/22/57/46/560225746.db2.gz	ACRGTLGOYYTGNX-UHFFFAOYSA-N	0	2	328.320	3.277	1	10	biogenic,in-vitro	EGCFLN
O=C1C(C=Nc2cc[nH]n2)C(c2ccccc2)=NN1c1ccccc1	ZINC000072175940	203182241	/nfs/dbraw/zinc/18/22/41/203182241.db2.gz	WWWOXRYQWXPRGG-SSZFMOIBSA-N	0	2	329.363	3.157	1	10		EGCFLN
O=c1c(C=Nc2cc[nH]n2)c(-c2ccccc2)[nH]n1-c1ccccc1	ZINC000072175940	203182243	/nfs/dbraw/zinc/18/22/43/203182243.db2.gz	WWWOXRYQWXPRGG-SSZFMOIBSA-N	0	2	329.363	3.157	1	10		EGCFLN
CC(C)=CCc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c21	ZINC000014763101	560225817	/nfs/dbraw/zinc/22/58/17/560225817.db2.gz	XRUKGBABAGTMIR-UHFFFAOYSA-N	0	2	328.320	3.277	1	10	biogenic,in-vitro	EGCFLN
CCCOC(=O)c1sc2c(cc(O)c(O)c2[N+](=O)[O-])c1Cl	ZINC000049066838	581094888	/nfs/dbraw/zinc/09/48/88/581094888.db2.gz	CJAXPEVRJYPGMK-UHFFFAOYSA-N	0	2	331.733	3.441	1	10		EGCFLN
COc1cccc(N=Nc2c(N)[nH]n3c2nc2c(c3=O)CCCC2)c1	ZINC000102725477	204047265	/nfs/dbraw/zinc/04/72/65/204047265.db2.gz	BMAIUVFYUMWBIJ-MRCUWXFGSA-N	0	2	338.371	3.320	1	10		EGCFLN
Cc1cc(N=CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)n[nH]1	ZINC000072175185	216065266	/nfs/dbraw/zinc/06/52/66/216065266.db2.gz	YVEMKKJWGGYNSQ-LGMDPLHJSA-N	0	2	343.390	3.465	1	10		EGCFLN
Cc1cc(N=Cc2c(=O)n(-c3ccccc3)[nH]c2-c2ccccc2)n[nH]1	ZINC000072175185	216065268	/nfs/dbraw/zinc/06/52/68/216065268.db2.gz	YVEMKKJWGGYNSQ-LGMDPLHJSA-N	0	2	343.390	3.465	1	10		EGCFLN
CC[C@H]1Cc2cc(O)c3c(c2C(=O)C1)C(=O)c1cccc(O)c1C3=O	ZINC000013379071	560215820	/nfs/dbraw/zinc/21/58/20/560215820.db2.gz	YXEPHAVILJDRHK-VIFPVBQESA-N	0	2	336.343	3.028	1	10	in-vitro	EGCFLN
CC[NH+](CC)Cc1c(O)ccc2c(CCCCC(=O)[O-])cc(=O)oc21	ZINC000026150773	202139330	/nfs/dbraw/zinc/13/93/30/202139330.db2.gz	IGBRKNBGTQBMJS-UHFFFAOYSA-N	0	2	347.411	3.138	1	10		EGCFLN
CC(C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064393143	1292054756	/nfs/dbraw/zinc/05/47/56/1292054756.db2.gz	OPMWPKGBXFCEOL-UHFFFAOYSA-N	0	2	328.320	3.364	1	10		EGCFLN
CC(C)OC(=O)c1sc2c(cc(O)c(O)c2[N+](=O)[O-])c1Cl	ZINC000049112311	581094879	/nfs/dbraw/zinc/09/48/79/581094879.db2.gz	POKYHCUJXGDDRU-UHFFFAOYSA-N	0	2	331.733	3.439	1	10		EGCFLN
COc1cccc(N=Nc2c(N)[nH]n3c2nc2c(c3=O)CCCC2)c1	ZINC000101918351	219172645	/nfs/dbraw/zinc/17/26/45/219172645.db2.gz	BMAIUVFYUMWBIJ-QZQOTICOSA-N	0	2	338.371	3.320	1	10		EGCFLN
Cc1cc(C)c(C2C(=O)N3C[C@H]4CCCC[C@@H]4CN3C2=O)c(C)c1	ZINC000103274743	219281393	/nfs/dbraw/zinc/28/13/93/219281393.db2.gz	MPGMKMFNGKMGDH-HZPDHXFCSA-N	0	2	326.440	3.101	1	10		EGCFLN