smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc([C@H](C)C(=O)NCc3n[nH]c(=O)[n-]3)ccc2c1	ZINC000217074675	241234801	/nfs/dbraw/zinc/23/48/01/241234801.db2.gz	BUVPODMQAITVNY-JTQLQIEISA-N	-1	0	326.356	1.680	50	70		EDIARM
COC(=O)C[C@@H](c1cnn(C)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217980247	536313233	/nfs/dbraw/zinc/31/32/33/536313233.db2.gz	AKTPAUUFWYRKLL-LBPRGKRZSA-N	-1	0	328.324	1.927	50	70		EDIARM
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1n[nH]c(=O)[n-]1)O2	ZINC000217741221	241272635	/nfs/dbraw/zinc/27/26/35/241272635.db2.gz	OGAIGAZRJWEAPC-QGZVFWFLSA-N	-1	0	346.387	1.129	50	70		EDIARM
Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC000159434579	225216235	/nfs/dbraw/zinc/21/62/35/225216235.db2.gz	AEYCLBOSQCZMLQ-AATRIKPKSA-N	-1	0	337.788	1.957	50	70		EDIARM
COC(=O)C[C@H](c1cnn(C)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217980177	241287472	/nfs/dbraw/zinc/28/74/72/241287472.db2.gz	AKTPAUUFWYRKLL-GFCCVEGCSA-N	-1	0	328.324	1.927	50	70		EDIARM
CC(C)[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ncnn1C	ZINC000218257552	535108039	/nfs/dbraw/zinc/10/80/39/535108039.db2.gz	FHGNWTSVDFJFPV-HNNXBMFYSA-N	-1	0	340.387	1.421	50	70		EDIARM
CN1CCN([C@@H](c2ccsc2)c2sc3ncnn3c2[O-])CC1	ZINC000218467425	290054620	/nfs/dbraw/zinc/05/46/20/290054620.db2.gz	YYGJFGONSIIQNX-NSHDSACASA-N	-1	0	335.458	1.895	50	70		EDIARM
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3nncs3)cc2C[C@H]1C	ZINC000160589865	278076531	/nfs/dbraw/zinc/07/65/31/278076531.db2.gz	QYBRMLSQJUGPNE-MRVPVSSYSA-N	-1	0	338.414	1.636	50	70		EDIARM
Cn1cccc1[C@H](O)CC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000217942080	241286355	/nfs/dbraw/zinc/28/63/55/241286355.db2.gz	DDKFBKQTJOJFJH-CYBMUJFWSA-N	-1	0	330.356	1.705	50	70		EDIARM
COC[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccnn1C	ZINC000218157260	536713857	/nfs/dbraw/zinc/71/38/57/536713857.db2.gz	JCHCLUBHZYQWEW-CQSZACIVSA-N	-1	0	341.371	1.017	50	70		EDIARM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(CC2CCOCC2)c1	ZINC000218241717	443058191	/nfs/dbraw/zinc/05/81/91/443058191.db2.gz	CDARRHYTBXUKEJ-UHFFFAOYSA-N	-1	0	340.405	1.715	50	70		EDIARM
O=C(c1ccncc1[O-])N1CCN(Cc2ccc(F)cc2)C(=O)C1	ZINC000217791669	241275122	/nfs/dbraw/zinc/27/51/22/241275122.db2.gz	IEQBTILMGUJYBL-UHFFFAOYSA-N	-1	0	329.331	1.411	50	70		EDIARM
O=C(CCc1cc(=O)[n-]o1)N[C@@H]1COCC[C@H]1Oc1ccccn1	ZINC000218742059	241340272	/nfs/dbraw/zinc/34/02/72/241340272.db2.gz	KQWVQHXDXHGTBI-CHWSQXEVSA-N	-1	0	333.344	1.061	50	70		EDIARM
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1n[nH]c(=O)[n-]1)O2	ZINC000217741139	241273467	/nfs/dbraw/zinc/27/34/67/241273467.db2.gz	OGAIGAZRJWEAPC-KRWDZBQOSA-N	-1	0	346.387	1.129	50	70		EDIARM
CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc(=O)c2cccc(F)c2[n-]1	ZINC000218376500	241317341	/nfs/dbraw/zinc/31/73/41/241317341.db2.gz	BFYHCIOTCXBOJB-ITDAGMBRSA-N	-1	0	345.374	1.115	50	70		EDIARM
COC[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccnn1C	ZINC000218157339	241302259	/nfs/dbraw/zinc/30/22/59/241302259.db2.gz	JCHCLUBHZYQWEW-AWEZNQCLSA-N	-1	0	341.371	1.017	50	70		EDIARM
CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc(C(N)=O)cc1Cl	ZINC000160635562	441904837	/nfs/dbraw/zinc/90/48/37/441904837.db2.gz	KLNLVSIPOQDXBA-UHFFFAOYSA-N	-1	0	349.803	1.768	50	70		EDIARM
Cc1nn(CCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c(C)c1C	ZINC000218436242	241321365	/nfs/dbraw/zinc/32/13/65/241321365.db2.gz	JUSNYJKCZSUYGK-UHFFFAOYSA-N	-1	0	339.399	1.717	50	70		EDIARM
CC[C@@H](O)c1cc2n(n1)CCN(Cc1nc(=O)c3sccc3[n-]1)C2	ZINC000217826616	241277438	/nfs/dbraw/zinc/27/74/38/241277438.db2.gz	BIGLRMHZRWSYCY-CYBMUJFWSA-N	-1	0	345.428	1.640	50	70		EDIARM
COC(=O)C[C@H](c1ccnn1C)c1c([O-])c2ccccc2oc1=O	ZINC000218133762	241299710	/nfs/dbraw/zinc/29/97/10/241299710.db2.gz	OEHFVCOBMXHOTA-LLVKDONJSA-N	-1	0	328.324	1.927	50	70		EDIARM
Cc1ccc(CN2CCN(C(=O)c3ccncc3[O-])CC2=O)cc1C	ZINC000217366207	241246386	/nfs/dbraw/zinc/24/63/86/241246386.db2.gz	WBERHRFTGFPAGG-UHFFFAOYSA-N	-1	0	339.395	1.889	50	70		EDIARM
Cc1ncsc1CCCNC(=O)Cc1nn2c([n-]1)nc(C)cc2=O	ZINC000217046092	241232640	/nfs/dbraw/zinc/23/26/40/241232640.db2.gz	UUWBKTIWMDTJHW-UHFFFAOYSA-N	-1	0	346.416	1.195	50	70		EDIARM