smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1Cl	ZINC000004280521	210161481	/nfs/dbraw/zinc/16/14/81/210161481.db2.gz	NGJNCPUDHJBUDA-AATRIKPKSA-N	0	1	327.594	5.249	10	30		EKEEMN
O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1	ZINC000004288281	210162317	/nfs/dbraw/zinc/16/23/17/210162317.db2.gz	OKNNLFRSPKBEKD-ZZXKWVIFSA-N	0	1	327.594	5.249	10	30		EKEEMN
CCOc1cccc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c1O	ZINC000004750751	210270957	/nfs/dbraw/zinc/27/09/57/210270957.db2.gz	ABXFZXXVFVNCSH-SRZZPIQSSA-N	0	1	347.842	5.198	10	30		EKEEMN
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O	ZINC000005620764	563543278	/nfs/dbraw/zinc/54/32/78/563543278.db2.gz	KOGRDDVBRZAHKK-LSCVHKIXSA-N	0	1	329.614	5.189	10	30		EKEEMN
CSc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000005785701	563999732	/nfs/dbraw/zinc/99/97/32/563999732.db2.gz	TVJVMQFEXAKJRZ-QGMBQPNBSA-N	0	1	345.682	5.815	10	30		EKEEMN
O=[N+]([O-])c1ccc(C(N=Nc2ccccc2)=NNc2ccccc2)cc1	ZINC000015771995	563792201	/nfs/dbraw/zinc/79/22/01/563792201.db2.gz	DLARSDSEYVUIBT-YMGPPEANSA-N	0	1	345.362	5.152	10	30		EKEEMN
C(=NN=c1[nH]c2ccccc2[nH]1)c1c2ccccc2cc2ccccc21	ZINC000050705007	214066913	/nfs/dbraw/zinc/06/69/13/214066913.db2.gz	IWJXYYQXQHZLFL-UCQKPKSFSA-N	0	1	336.398	5.315	10	30		EKEEMN
CCCCCCCCCCSc1nc(-c2cccc(C)c2)n[nH]1	ZINC000097965960	219065690	/nfs/dbraw/zinc/06/56/90/219065690.db2.gz	TVGCYHDQBAGMFI-UHFFFAOYSA-N	0	1	331.529	6.013	10	30		EKEEMN
CCCCC[C@]1(OCCCC)C=CC(/N=C\c2ccccc2)=CC1	ZINC000100292021	219096225	/nfs/dbraw/zinc/09/62/25/219096225.db2.gz	JJJFQWXXDMPENV-PJJVEECESA-N	0	1	325.496	6.085	10	30		EKEEMN
Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Br)cc1	ZINC000100457004	219099924	/nfs/dbraw/zinc/09/99/24/219099924.db2.gz	SCFYGKJRFQUEST-IDUWFGFVSA-N	0	1	345.023	5.212	10	30		EKEEMN
Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Cl)c(Cl)c1	ZINC000100460219	219099969	/nfs/dbraw/zinc/09/99/69/219099969.db2.gz	MQUCNRGLRVIHAE-FXBPXSCXSA-N	0	1	335.017	5.756	10	30		EKEEMN
Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(Cl)cc(Cl)c1	ZINC000100460221	219099663	/nfs/dbraw/zinc/09/96/63/219099663.db2.gz	UUWUXQFTLDWNOU-FXBPXSCXSA-N	0	1	335.017	5.756	10	30		EKEEMN
CCN(CC)c1ccc(/N=C\c2cc(Cl)cc(Cl)c2O)cc1	ZINC000100483928	219100544	/nfs/dbraw/zinc/10/05/44/219100544.db2.gz	PXOMCAWOGHHJAR-JAIQZWGSSA-N	0	1	337.250	5.296	10	30		EKEEMN
O=[N+]([O-])c1cc(/N=C\c2cc(Cl)cc(Cl)c2O)ccc1Cl	ZINC000100483994	219100316	/nfs/dbraw/zinc/10/03/16/219100316.db2.gz	MJLPCFQIJFRZDF-FMQZQXMHSA-N	0	1	345.569	5.011	10	30		EKEEMN
CC1(C)CC(=O)C2=C(C1)N=C(c1ccccc1)C[C@H]2c1ccccc1	ZINC000102069378	219184405	/nfs/dbraw/zinc/18/44/05/219184405.db2.gz	DCKQOTCYLKBLLM-SFHVURJKSA-N	0	1	329.443	5.058	10	30		EKEEMN
CC1(C)CC(=O)C2=C(C1)N=C(c1ccccc1)C[C@@H]2c1ccccc1	ZINC000102069384	201388452	/nfs/dbraw/zinc/38/84/52/201388452.db2.gz	DCKQOTCYLKBLLM-GOSISDBHSA-N	0	1	329.443	5.058	10	30		EKEEMN
C=C(C)[C@H]1CCC(C)=C[C@@H]1C1=C([O-])C(=O)C(CCCCC)=CC1=O	ZINC000103649620	204085030	/nfs/dbraw/zinc/08/50/30/204085030.db2.gz	WDXXEUARVHTWQF-SJORKVTESA-N	0	1	328.452	5.006	10	30		EKEEMN
CCCCCCC[C@]1(OCC)C=CC(/N=C\c2ccccc2)=CC1	ZINC000103706094	219319491	/nfs/dbraw/zinc/31/94/91/219319491.db2.gz	KFBNVXPALZXHFT-PJJVEECESA-N	0	1	325.496	6.085	10	30		EKEEMN