smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC(CC(=O)c1cccs1)=C(C)C(=O)c1cccs1	ZINC000000344281	563242775	/nfs/dbraw/zinc/24/27/75/563242775.db2.gz	OWVRLJXSWQLOIN-AHEVQNHNSA-N	0	2	322.476	4.758	50	30		DJEALN
Cc1cc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)cc1C	ZINC000000224030	563579199	/nfs/dbraw/zinc/57/91/99/563579199.db2.gz	WAHDKGRUKZFKRW-CNHKJKLMSA-N	0	2	310.180	4.772	50	30		DJEALN
N#C[C@H](C(=O)c1coc2ccccc12)c1nc2ccccc2s1	ZINC000089866678	563911722	/nfs/dbraw/zinc/91/17/22/563911722.db2.gz	FEHFJRUNFDEQJI-GFCCVEGCSA-N	0	2	318.357	4.533	50	30		DJEALN
N#CC(C(=O)c1coc2ccccc12)c1nc2ccccc2s1	ZINC000089866678	563911723	/nfs/dbraw/zinc/91/17/23/563911723.db2.gz	FEHFJRUNFDEQJI-GFCCVEGCSA-N	0	2	318.357	4.533	50	30		DJEALN
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(-c3ccccc3)cc2)c1	ZINC000000062683	563212400	/nfs/dbraw/zinc/21/24/00/563212400.db2.gz	NVNZWJBSAINDMF-DEDYPNTBSA-N	0	2	318.332	4.718	50	30		DJEALN
Oc1c(Cl)cc(Cl)cc1/C=N/c1cc2ccccc2cn1	ZINC000000174025	563227852	/nfs/dbraw/zinc/22/78/52/563227852.db2.gz	REBPETUGMHCBHC-AWQFTUOYSA-N	0	2	317.175	4.998	50	30		DJEALN
CCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000000224002	563579543	/nfs/dbraw/zinc/57/95/43/563579543.db2.gz	CQSDCWINAYHZPI-QGMBQPNBSA-N	0	2	310.180	4.718	50	30		DJEALN
CCCCCCCCCCCCSc1nnc(C)c(=O)[nH]1	ZINC000097957203	563504032	/nfs/dbraw/zinc/50/40/32/563504032.db2.gz	TZNSMXWJROEQHD-UHFFFAOYSA-N	0	2	311.495	4.899	50	30		DJEALN
Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2ccccc2n1	ZINC000252428686	563883810	/nfs/dbraw/zinc/88/38/10/563883810.db2.gz	VKUUUXCLDREJCR-UHFFFAOYSA-N	0	2	317.175	4.998	50	30		DJEALN
Oc1ccc2ccccc2c1CN=Nc1ccc2ccccc2n1	ZINC000004678236	181135136	/nfs/dbraw/zinc/13/51/36/181135136.db2.gz	TWWDFHURQFXRJN-FYJGNVAPSA-N	0	2	313.360	4.540	50	30		DJEALN
CSC(CC(=O)c1cccs1)=C(C)C(=O)c1cccs1	ZINC000103975504	563671538	/nfs/dbraw/zinc/67/15/38/563671538.db2.gz	OWVRLJXSWQLOIN-GMROUXNLSA-N	0	2	322.476	4.758	50	30		DJEALN
Cc1cccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)c1	ZINC000015135114	563789792	/nfs/dbraw/zinc/78/97/92/563789792.db2.gz	UGFSXXRMVMHOTB-QGMBQPNBSA-N	0	2	318.760	4.630	50	30		DJEALN
N#C[C@@H](C(=O)c1coc2ccccc12)c1nc2ccccc2s1	ZINC000089866679	563911694	/nfs/dbraw/zinc/91/16/94/563911694.db2.gz	FEHFJRUNFDEQJI-LBPRGKRZSA-N	0	2	318.357	4.533	50	30		DJEALN
N#CC(C(=O)c1coc2ccccc12)c1nc2ccccc2s1	ZINC000089866679	563911695	/nfs/dbraw/zinc/91/16/95/563911695.db2.gz	FEHFJRUNFDEQJI-LBPRGKRZSA-N	0	2	318.357	4.533	50	30		DJEALN
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(-c3ccccc3)cc2)c1	ZINC000252622448	563918856	/nfs/dbraw/zinc/91/88/56/563918856.db2.gz	NVNZWJBSAINDMF-UHFFFAOYSA-N	0	2	318.332	4.718	50	30		DJEALN
CC(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1	ZINC000000058396	563212207	/nfs/dbraw/zinc/21/22/07/563212207.db2.gz	RDOHNNVUEOTGON-QGMBQPNBSA-N	0	2	308.164	4.652	50	30		DJEALN
CSC(CC(=O)c1cccs1)=C(C)C(=O)c1cccs1	ZINC000103870379	563561672	/nfs/dbraw/zinc/56/16/72/563561672.db2.gz	OWVRLJXSWQLOIN-ADVUTCEVSA-N	0	2	322.476	4.758	50	30		DJEALN
Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)cc1	ZINC000015135106	563789726	/nfs/dbraw/zinc/78/97/26/563789726.db2.gz	VUFWQFGQNYLUNG-QGMBQPNBSA-N	0	2	318.760	4.630	50	30		DJEALN
CCCCCCCCSc1nnc(-c2ccccc2)c(=O)[nH]1	ZINC000097957224	193771943	/nfs/dbraw/zinc/77/19/43/193771943.db2.gz	JPUPVDOEVSHIMV-UHFFFAOYSA-N	0	2	317.458	4.697	50	30		DJEALN
CC(=O)c1ccccc1N=Cc1cc(Cl)cc(Cl)c1O	ZINC000001045282	563275273	/nfs/dbraw/zinc/27/52/73/563275273.db2.gz	XDTBOHNSOPXBBK-QGMBQPNBSA-N	0	2	308.164	4.652	50	30		DJEALN
CC(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1	ZINC000252462268	568413701	/nfs/dbraw/zinc/41/37/01/568413701.db2.gz	RDOHNNVUEOTGON-UHFFFAOYSA-N	0	2	308.164	4.652	50	30		DJEALN
Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1Cl	ZINC000004252547	181088604	/nfs/dbraw/zinc/08/86/04/181088604.db2.gz	NUZNWCMHYPHALD-QPJJXVBHSA-N	0	2	307.176	4.904	50	30		DJEALN
CSC(CC(=O)c1cccs1)=C(C)C(=O)c1cccs1	ZINC000103975497	563671332	/nfs/dbraw/zinc/67/13/32/563671332.db2.gz	OWVRLJXSWQLOIN-RSYJBZMQSA-N	0	2	322.476	4.758	50	30		DJEALN
C=CCn1c(=O)c2c([nH]c1=S)sc(C)c2-c1ccccc1	ZINC000253496632	563814428	/nfs/dbraw/zinc/81/44/28/563814428.db2.gz	ABEQGDVGMIZVDB-UHFFFAOYSA-N	0	2	314.435	4.694	50	30		DJEALN
O=[N+]([O-])c1cccc(/C=N/c2ccccc2-c2ccccc2)c1O	ZINC000004705048	181140536	/nfs/dbraw/zinc/14/05/36/181140536.db2.gz	RCJFNKKHPNDLDC-DEDYPNTBSA-N	0	2	318.332	4.718	50	30		DJEALN