smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O/N=C(\Cl)c1ccc(Cl)cc1Cl	ZINC000000166650	383838484	/nfs/dbraw/zinc/83/84/84/383838484.db2.gz	GXBVZCSCOBTMHS-XFFZJAGNSA-N	0	2	224.474	3.368	50	30		BGEALN
O=[N+]([O-])c1cccc(/C=N/c2ccccc2)c1O	ZINC000000240743	342681159	/nfs/dbraw/zinc/68/11/59/342681159.db2.gz	INLFWHLZZKENEJ-NTEUORMPSA-N	0	2	242.234	3.051	50	30		BGEALN
Cc1ccc(N2C(=N)c3ccccc3[C@@H]2C#N)cc1	ZINC000003187604	343272806	/nfs/dbraw/zinc/27/28/06/343272806.db2.gz	IOJNEJJGASTYJW-HNNXBMFYSA-N	0	2	247.301	3.405	50	30		BGEALN
Cc1ccc(N2C(=N)c3ccccc3[C@H]2C#N)cc1	ZINC000003187606	343273001	/nfs/dbraw/zinc/27/30/01/343273001.db2.gz	IOJNEJJGASTYJW-OAHLLOKOSA-N	0	2	247.301	3.405	50	30		BGEALN
O=[N+]([O-])c1ccc(/N=C/c2cccs2)c(O)c1	ZINC000004656929	342750063	/nfs/dbraw/zinc/75/00/63/342750063.db2.gz	MJZZUCCBFDGKIY-KPKJPENVSA-N	0	2	248.263	3.113	50	30		BGEALN
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2)c1	ZINC000005004321	342756250	/nfs/dbraw/zinc/75/62/50/342756250.db2.gz	YGHDLAGZWXIPNK-NTEUORMPSA-N	0	2	242.234	3.051	50	30		BGEALN
C/C(=N\O)c1cc(-c2ccc(Cl)cc2)no1	ZINC000005480216	190975342	/nfs/dbraw/zinc/97/53/42/190975342.db2.gz	VUXOFBLFFAHKOX-NTUHNPAUSA-N	0	2	236.658	3.193	50	30		BGEALN
C=C(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000009190505	188225357	/nfs/dbraw/zinc/22/53/57/188225357.db2.gz	QJMWYWNJNGKFPG-UHFFFAOYSA-N	0	2	246.093	3.214	50	30		BGEALN
Oc1ccccc1/C=N/c1ccccc1S	ZINC000017020798	183300097	/nfs/dbraw/zinc/30/00/97/183300097.db2.gz	RCDKQPLQNRHCGH-NTEUORMPSA-N	0	2	229.304	3.432	50	30		BGEALN
O=[N+]([O-])c1ccc(O)c(/N=C/c2ccccc2)c1	ZINC000017424954	342924835	/nfs/dbraw/zinc/92/48/35/342924835.db2.gz	NNTURZUKNVOWBH-NTEUORMPSA-N	0	2	242.234	3.051	50	30		BGEALN
O=[N+]([O-])c1ccc(O)c(/N=C/c2cccs2)c1	ZINC000035982159	343306062	/nfs/dbraw/zinc/30/60/62/343306062.db2.gz	IPNVDKTUXAJUPO-KPKJPENVSA-N	0	2	248.263	3.113	50	30		BGEALN
O=C(/C=C/c1ccco1)c1cccc(F)c1O	ZINC000036719687	383907891	/nfs/dbraw/zinc/90/78/91/383907891.db2.gz	ZELQJLFDCYJKNZ-VOTSOKGWSA-N	0	2	232.210	3.020	50	30		BGEALN
O/N=C(\Cl)c1ccc(C(F)(F)F)cc1	ZINC000038236437	384079241	/nfs/dbraw/zinc/07/92/41/384079241.db2.gz	YALQVNZAQRGNQE-QPEQYQDCSA-N	0	2	223.581	3.080	50	30		BGEALN
O/N=C(\Cl)c1c(Cl)cccc1Cl	ZINC000100022021	384610597	/nfs/dbraw/zinc/61/05/97/384610597.db2.gz	LXWQVTNZUIURFE-XFFZJAGNSA-N	0	2	224.474	3.368	50	30		BGEALN
O=C(C=C(O)c1ccccc1)c1ccccc1	ZINC000100030326	384610226	/nfs/dbraw/zinc/61/02/26/384610226.db2.gz	RZCYUOWKJNUVBF-KAMYIIQDSA-N	0	2	224.259	3.468	50	30		BGEALN
O/N=C(\Cl)c1ccc(Cl)c(Cl)c1	ZINC000100237387	384625515	/nfs/dbraw/zinc/62/55/15/384625515.db2.gz	MXDNXOIXXBQUEZ-XFFZJAGNSA-N	0	2	224.474	3.368	50	30		BGEALN
O=C(C=C(O)c1ccccc1)c1ccccc1	ZINC000100744522	383987958	/nfs/dbraw/zinc/98/79/58/383987958.db2.gz	RZCYUOWKJNUVBF-SDNWHVSQSA-N	0	2	224.259	3.468	50	30		BGEALN
O=C(/C=C\c1ccco1)c1cccc(F)c1O	ZINC000169619602	385414951	/nfs/dbraw/zinc/41/49/51/385414951.db2.gz	ZELQJLFDCYJKNZ-SREVYHEPSA-N	0	2	232.210	3.020	50	30		BGEALN
O=[N+]([O-])c1ccc(N=Cc2cccs2)c(O)c1	ZINC000252461436	363277114	/nfs/dbraw/zinc/27/71/14/363277114.db2.gz	MJZZUCCBFDGKIY-UHFFFAOYSA-N	0	2	248.263	3.113	50	30		BGEALN
O=[N+]([O-])c1cccc(C=Nc2ccccc2)c1O	ZINC000252611771	364053776	/nfs/dbraw/zinc/05/37/76/364053776.db2.gz	INLFWHLZZKENEJ-UHFFFAOYSA-N	0	2	242.234	3.051	50	30		BGEALN
O=[N+]([O-])c1ccc(O)c(C=Nc2ccccc2)c1	ZINC000254482870	350941393	/nfs/dbraw/zinc/94/13/93/350941393.db2.gz	YGHDLAGZWXIPNK-UHFFFAOYSA-N	0	2	242.234	3.051	50	30		BGEALN
O=[N+]([O-])c1cc(C=Nc2ccccc2)ccc1O	ZINC000257346657	527329861	/nfs/dbraw/zinc/32/98/61/527329861.db2.gz	YILSMUQWQWNQDW-UHFFFAOYSA-N	0	2	242.234	3.051	50	30		BGEALN
ON=C(Cl)c1ccc(C(F)(F)F)cc1	ZINC000257354481	527643833	/nfs/dbraw/zinc/64/38/33/527643833.db2.gz	YALQVNZAQRGNQE-UHFFFAOYSA-N	0	2	223.581	3.080	50	30		BGEALN