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([O-])c1ccc(/C=C2/CNC/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000016952805	507109102	/nfs/dbraw/zinc/10/91/02/507109102.db2.gz	OFXHXWJTICAGGD-XFQWXJFMSA-N	-2	0	363.369	2.722	40	30		FFEBRL
Cc1cc(Nc2ccccc2C(=O)[O-])n(-c2cccc(S(=O)(=O)[O-])c2)n1	ZINC000255189430	520897205	/nfs/dbraw/zinc/89/72/05/520897205.db2.gz	PVWFSJMQIVQFEO-FBMGVBCBSA-N	-2	0	373.390	2.948	40	30		FFEBRL
O=C([O-])c1ccc(/C=C2\CNC/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000001613990	204013555	/nfs/dbraw/zinc/01/35/55/204013555.db2.gz	OFXHXWJTICAGGD-BUOZRGFLSA-N	-2	0	363.369	2.722	40	30		FFEBRL
O=[N+]([O-])c1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c([O-])cc1[O-]	ZINC000409034111	513097447	/nfs/dbraw/zinc/09/74/47/513097447.db2.gz	NDKBPAFAWGIGJS-ZUWFHJRGSA-N	-2	0	365.161	2.720	40	30		FFEBRL
COc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409017486	513097687	/nfs/dbraw/zinc/09/76/87/513097687.db2.gz	WXSGSTMHKCFULO-DWOMLUCJSA-N	-2	0	359.334	2.702	40	30		FFEBRL
COc1cc(C)cc(C(=O)[O-])c1C1=C([O-])c2cccc(O)c2C(=O)C1=O	ZINC000013369998	506941839	/nfs/dbraw/zinc/94/18/39/506941839.db2.gz	PBKZJIMGHNPKBJ-UHFFFAOYSA-N	-2	0	354.314	2.756	40	30	biogenic,in-vitro	FFEBRL
COc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409013750	513097576	/nfs/dbraw/zinc/09/75/76/513097576.db2.gz	VBEPTEVEIDAPQP-ZICWZVMQSA-N	-2	0	357.362	2.864	40	30		FFEBRL
C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000015009316	507011316	/nfs/dbraw/zinc/01/13/16/507011316.db2.gz	HJFDKIOPNZUXGY-SOFGYWHQSA-N	-2	0	359.338	2.518	40	30		FFEBRL
COc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409013748	513097512	/nfs/dbraw/zinc/09/75/12/513097512.db2.gz	VBEPTEVEIDAPQP-DQAKUKQTSA-N	-2	0	357.362	2.864	40	30		FFEBRL
C/C(=N\c1ccccc1S(=O)(=O)[O-])c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161224	222263373	/nfs/dbraw/zinc/26/33/73/222263373.db2.gz	SKLVXXFCXIZVEA-YBFXNURJSA-N	-2	0	372.402	2.632	40	30		FFEBRL
COc1cc(/C=N\c2ccc(O)c(C(=O)[O-])c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409017488	513097383	/nfs/dbraw/zinc/09/73/83/513097383.db2.gz	WXSGSTMHKCFULO-OVNPTBDBSA-N	-2	0	359.334	2.702	40	30		FFEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000001706582	506268285	/nfs/dbraw/zinc/26/82/85/506268285.db2.gz	AHMDBYWREAVCIQ-XOBNHNQQSA-N	-2	0	372.337	2.842	40	30		FFEBRL
C/C(=N\c1ccc(C(=O)[O-])c(O)c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000005725445	506455151	/nfs/dbraw/zinc/45/51/51/506455151.db2.gz	BABLXNOBWKVDSC-KEBDBYFISA-N	-2	0	352.346	2.789	40	30		FFEBRL
COc1cccc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c1O[C@H](C)C(=O)[O-]	ZINC000409240881	513101214	/nfs/dbraw/zinc/10/12/14/513101214.db2.gz	QOKLUIQUOKACGL-DWOMLUCJSA-N	-2	0	359.334	2.702	40	30		FFEBRL
CCn1c(=O)c(/C=N/c2ccc(C(=O)[O-])c(O)c2)c([O-])c2ccccc21	ZINC000006176655	204239218	/nfs/dbraw/zinc/23/92/18/204239218.db2.gz	ZBNOTMNAGJTFOU-KEBDBYFISA-N	-2	0	352.346	2.881	40	30		FFEBRL
COc1cc(/C=N/c2ccc(C(=O)[O-])c(O)c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000009323799	204363449	/nfs/dbraw/zinc/36/34/49/204363449.db2.gz	BXVYVLQFVXWYLI-XTTRTJGBSA-N	-2	0	359.334	2.702	40	30		FFEBRL
CCC/C=C\[C@H](O)[C@@H](COP(=O)([O-])[O-])NC(=O)CCCCCCC	ZINC000299888237	511687095	/nfs/dbraw/zinc/68/70/95/511687095.db2.gz	BDLMAKNUEZQMJE-IFCOSYQSSA-N	-2	0	365.407	2.658	40	30		FFEBRL
CCC/C=C/[C@H](O)[C@@H](COP(=O)([O-])[O-])NC(=O)CCCCCCC	ZINC000100044935	508238017	/nfs/dbraw/zinc/23/80/17/508238017.db2.gz	BDLMAKNUEZQMJE-OVNLOREASA-N	-2	0	365.407	2.658	40	30		FFEBRL
COc1cccc(/C=N\c2ccc(O)c(C(=O)[O-])c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409240882	513101318	/nfs/dbraw/zinc/10/13/18/513101318.db2.gz	QOKLUIQUOKACGL-OVNPTBDBSA-N	-2	0	359.334	2.702	40	30		FFEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000017429460	527369071	/nfs/dbraw/zinc/36/90/71/527369071.db2.gz	AHMDBYWREAVCIQ-OMYAATJGSA-N	-2	0	372.337	2.842	40	30		FFEBRL
O=C([O-])c1ccc(/C=C2\CNC/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000005809206	207117815	/nfs/dbraw/zinc/11/78/15/207117815.db2.gz	OFXHXWJTICAGGD-BEQMOXJMSA-N	-2	0	363.369	2.722	40	30		FFEBRL
O=C([O-])[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000003852350	506350035	/nfs/dbraw/zinc/35/00/35/506350035.db2.gz	WQIUWPXBEHWYBX-MRVPVSSYSA-N	-2	0	361.213	2.631	40	30		FFEBRL
COc1cc(/C=N/c2ccc(C(=O)[O-])c(O)c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000009323798	506691608	/nfs/dbraw/zinc/69/16/08/506691608.db2.gz	BXVYVLQFVXWYLI-XPAGJJBOSA-N	-2	0	359.334	2.702	40	30		FFEBRL
Cc1cc(Nc2ccccc2C(=O)[O-])n(-c2ccccc2S(=O)(=O)[O-])n1	ZINC000255189065	509919841	/nfs/dbraw/zinc/91/98/41/509919841.db2.gz	NLMZVUUBGOUSIX-FBMGVBCBSA-N	-2	0	373.390	2.948	40	30		FFEBRL