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)(C)c1cc(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1[O-]	ZINC000005293082	204123897	/nfs/dbraw/zinc/12/38/97/204123897.db2.gz	USHGIESNMRSEFA-VXLYETTFSA-N	-1	3	392.253	4.806	1	30		GJEFHM
CC(C)CCc1c(OCCCCCCCC(=O)N[O-])ccc2ccc(=O)oc21	ZINC000072181083	211081733	/nfs/dbraw/zinc/08/17/33/211081733.db2.gz	YCAXPWXKZOFDDQ-UHFFFAOYSA-N	-1	3	389.492	4.606	1	30		GJEFHM
C/C(=N\[O-])c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000095579847	211278252	/nfs/dbraw/zinc/27/82/52/211278252.db2.gz	NVJOGFOHISBAHG-SSDVNMTOSA-N	-1	3	390.827	4.503	1	30		GJEFHM
CN1c2cccc3c([O-])c4ccccc4c(c32)/C(=N/CCc2ccccc2)C1=O	ZINC000101926498	136189934	/nfs/dbraw/zinc/18/99/34/136189934.db2.gz	YDOKUGZYPCUVEP-RWEWTDSWSA-N	-1	3	380.447	4.707	1	30		GJEFHM
O=C(C(=N[N-]c1ccccc1Cl)C(=O)C(F)(F)F)c1ccc(Cl)cc1	ZINC000071331097	211046454	/nfs/dbraw/zinc/04/64/54/211046454.db2.gz	JXNBUXGRRAFKGY-YDZHTSKRSA-N	-1	3	389.160	4.776	1	30		GJEFHM
O=C(C(N=Nc1ccccc1Cl)=C([O-])c1ccc(Cl)cc1)C(F)(F)F	ZINC000071331097	211046457	/nfs/dbraw/zinc/04/64/57/211046457.db2.gz	JXNBUXGRRAFKGY-YDZHTSKRSA-N	-1	3	389.160	4.776	1	30		GJEFHM
CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc([O-])c(C#N)c1	ZINC000072109246	211068888	/nfs/dbraw/zinc/06/88/88/211068888.db2.gz	FDXWONUERKJVPB-SFHVURJKSA-N	-1	3	377.469	4.517	1	30		GJEFHM
CCCC[C@]12Cc3cc([O-])ccc3C1=C(I)C(=O)CC2	ZINC000034633760	581094667	/nfs/dbraw/zinc/09/46/67/581094667.db2.gz	ZYWZOCDNBFHAAB-KRWDZBQOSA-N	-1	3	382.241	4.634	1	30		GJEFHM
CCCCCCCCc1ccc(CC[C@]([NH3+])(/C=C/P(=O)([O-])[O-])CF)cc1	ZINC000096910013	211350929	/nfs/dbraw/zinc/35/09/29/211350929.db2.gz	PYDKEDQAMHNDLH-APHAIJBRSA-N	-1	3	385.460	4.881	1	30		GJEFHM
O=[N+]([O-])c1ccc(/N=C(/Cc2ccc(Cl)cc2)c2ccc(O)c([O-])c2O)cc1	ZINC000049037009	205124756	/nfs/dbraw/zinc/12/47/56/205124756.db2.gz	JZAZPPNWAIFTBM-XLNRJJMWSA-N	-1	3	398.802	4.729	1	30		GJEFHM
C=CC(C)(C)c1c(=O)cc([O-])c2c([O-])c3cc(O)c4c(c3oc1-2)C=CC(C)(C)O4	ZINC000015121027	212117727	/nfs/dbraw/zinc/11/77/27/212117727.db2.gz	VDIZUJPZYMJMRS-UHFFFAOYSA-N	-1	3	394.423	4.711	1	30		GJEFHM
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1[O-]	ZINC000000796174	212182586	/nfs/dbraw/zinc/18/25/86/212182586.db2.gz	ZRDXWHJGUPVIMM-SFHVURJKSA-N	-1	3	387.863	4.986	1	30		GJEFHM
Cc1cc(S(=O)(=O)N/N=C\c2ccccc2[O-])c2c(C)ccc(C(C)C)cc1-2	ZINC000072122820	222209698	/nfs/dbraw/zinc/20/96/98/222209698.db2.gz	LQOIOZWUXSWMKW-QRVIBDJDSA-N	-1	3	396.512	4.550	1	30		GJEFHM
CCCC[C@@]12Cc3cc([O-])ccc3C1=C(I)C(=O)CC2	ZINC000034633761	581094701	/nfs/dbraw/zinc/09/47/01/581094701.db2.gz	ZYWZOCDNBFHAAB-QGZVFWFLSA-N	-1	3	382.241	4.634	1	30		GJEFHM
CC([O-])=C1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000000856676	212190631	/nfs/dbraw/zinc/19/06/31/212190631.db2.gz	WTCIWDSQGYXKLB-LJQANCHMSA-N	-1	3	382.460	4.585	3	30		GJEFHM
CC([O-])=C1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(C(C)C)cc1	ZINC000000856675	206327790	/nfs/dbraw/zinc/32/77/90/206327790.db2.gz	WTCIWDSQGYXKLB-IBGZPJMESA-N	-1	3	382.460	4.585	3	30		GJEFHM