smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1nnn[n-]1	ZINC000408526727	571130771	/nfs/dbraw/zinc/13/07/71/571130771.db2.gz	CGUKRKCAXCBZKH-POHAHGRESA-N	-2	1	362.191	1.989	40	10		FDCBML
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000408830430	570690411	/nfs/dbraw/zinc/69/04/11/570690411.db2.gz	RRZLUFHEEPPRFE-UHFFFAOYSA-N	-2	1	356.359	1.868	40	10		FDCBML
COC(=O)Cc1cc2c(c(O)c1C(C)=O)C(=O)c1c([O-])cccc1C2=O	ZINC000003850721	518280219	/nfs/dbraw/zinc/28/02/19/518280219.db2.gz	XJIJYLAICXTKPT-UHFFFAOYSA-N	-2	1	354.314	1.791	40	10		FDCBML
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1O	ZINC000003109159	518258729	/nfs/dbraw/zinc/25/87/29/518258729.db2.gz	ZKOYCMCWNDWXSA-UHFFFAOYSA-N	-2	1	358.331	1.265	40	10		FDCBML
COc1ccc(C2=NN(C=C3SC(=S)[N-]C3=O)[C@H](C(=O)[O-])C2)cc1	ZINC000256027900	571147968	/nfs/dbraw/zinc/14/79/68/571147968.db2.gz	IXOUREIJHHFXRX-ZWIPKHHJSA-N	-2	1	363.420	1.548	40	10		FDCBML
O=C([O-])[C@@H]1CC(c2ccc(F)cc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256028060	571148042	/nfs/dbraw/zinc/14/80/42/571148042.db2.gz	QUKQGTDGSPTTTO-OYUORYAFSA-N	-2	1	351.384	1.678	40	10		FDCBML
COc1ccc(C2=NN(C=C3SC(=S)[N-]C3=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000256027899	571148112	/nfs/dbraw/zinc/14/81/12/571148112.db2.gz	IXOUREIJHHFXRX-HBZGRHIISA-N	-2	1	363.420	1.548	40	10		FDCBML
O=C([O-])[C@H]1CC(c2ccc(F)cc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256028059	571148164	/nfs/dbraw/zinc/14/81/64/571148164.db2.gz	QUKQGTDGSPTTTO-CHPNCVJKSA-N	-2	1	351.384	1.678	40	10		FDCBML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408994889	570709779	/nfs/dbraw/zinc/70/97/79/570709779.db2.gz	HNLHTTYKZBFPFD-UHFFFAOYSA-N	-2	1	369.402	1.707	40	10		FDCBML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000005006716	518325007	/nfs/dbraw/zinc/32/50/07/518325007.db2.gz	MMDOAAAUKUTRBX-UHFFFAOYSA-N	-2	1	369.402	1.707	40	10		FDCBML
C[C@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)ccc21	ZINC000409194675	570738594	/nfs/dbraw/zinc/73/85/94/570738594.db2.gz	QNIKROQJMYPGQE-YXYQAXARSA-N	-2	1	357.391	1.543	40	10		FDCBML
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000040973858	519644811	/nfs/dbraw/zinc/64/48/11/519644811.db2.gz	ZADQYKJHMHBSMC-UHFFFAOYSA-N	-2	1	356.359	1.868	40	10		FDCBML
CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[N-]C1=S	ZINC000408910119	570698091	/nfs/dbraw/zinc/69/80/91/570698091.db2.gz	JEWJFUWGZKGMNJ-XYOKQWHBSA-N	-2	1	356.359	1.901	40	10		FDCBML
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1[O-]	ZINC000005338361	518341005	/nfs/dbraw/zinc/34/10/05/518341005.db2.gz	ADOJSDOUCYYVKI-XFXZXTDPSA-N	-2	1	368.305	1.879	40	10		FDCBML
C[C@@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)ccc21	ZINC000409194672	570738505	/nfs/dbraw/zinc/73/85/05/570738505.db2.gz	QNIKROQJMYPGQE-KWINOFQJSA-N	-2	1	357.391	1.543	40	10		FDCBML
CN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000409109019	570724791	/nfs/dbraw/zinc/72/47/91/570724791.db2.gz	ZOOXOPOOEYLEJF-UKTHLTGXSA-N	-2	1	355.375	1.432	40	10		FDCBML
CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000409392010	570755968	/nfs/dbraw/zinc/75/59/68/570755968.db2.gz	MUPPLEBEHCNWAO-GXDHUFHOSA-N	-2	1	369.402	1.822	40	10		FDCBML
CN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000409232425	570744480	/nfs/dbraw/zinc/74/44/80/570744480.db2.gz	HQLJNSKPEGPDJT-UKTHLTGXSA-N	-2	1	355.375	1.432	40	10		FDCBML
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000408837790	570690763	/nfs/dbraw/zinc/69/07/63/570690763.db2.gz	NQGNHIBAARQHHU-UHFFFAOYSA-N	-2	1	356.359	1.868	40	10		FDCBML
Cn1c(=O)c(-c2[n-][nH]c(=O)c2C=Nc2nccs2)c([O-])c2ccccc21	ZINC000100261113	222240708	/nfs/dbraw/zinc/24/07/08/222240708.db2.gz	BPNDWGCCKWBYBC-NTMALXAHSA-N	-2	1	367.390	1.531	40	10		FDCBML