smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(F)ccc1Cn1ccc2c1cnc1c2CCN([O-])C1=O	ZINC000071316158	203091774	/nfs/dbraw/zinc/09/17/74/203091774.db2.gz	KMNNURYLRSRLOU-UHFFFAOYSA-N	-1	3	336.326	2.483	1	30		EEEFHM
CCOC(=O)c1ccccc1Oc1nc[n-]c(=O)c1C=CC(C)=O	ZINC000072178004	203182229	/nfs/dbraw/zinc/18/22/29/203182229.db2.gz	SKIYONJRQKGOFW-CMDGGOBGSA-N	-1	3	328.324	2.341	1	30		EEEFHM
Cc1cccc(S(=O)(=O)N2CCC(CCCC(=O)N[O-])CC2)c1	ZINC000073137932	216353716	/nfs/dbraw/zinc/35/37/16/216353716.db2.gz	XFTBVOPSQWCKEG-UHFFFAOYSA-N	-1	3	340.445	2.071	1	30		EEEFHM
COc1ccc(C2=NO[C@@](C)(C(=O)N[O-])C2)cc1OC1CCCC1	ZINC000003812219	210076184	/nfs/dbraw/zinc/07/61/84/210076184.db2.gz	SKSQSCQKTAQENI-QGZVFWFLSA-N	-1	3	334.372	2.405	1	30		EEEFHM
O=C(CCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)N[O-]	ZINC000073164061	216359814	/nfs/dbraw/zinc/35/98/14/216359814.db2.gz	LXERZPUZQYCSEP-UHFFFAOYSA-N	-1	3	338.345	2.209	1	30		EEEFHM
C=CCc1cc(CCC(=O)[O-])ccc1C#C[C@]1(O)CN2CCC1CC2	ZINC000003809413	210074592	/nfs/dbraw/zinc/07/45/92/210074592.db2.gz	KRZHVWPIUYVUQH-NRFANRHFSA-N	-1	3	339.435	2.241	1	30		EEEFHM
Cc1ccccc1S(=O)(=O)N1CCC(CCCC(=O)N[O-])CC1	ZINC000073138355	216355150	/nfs/dbraw/zinc/35/51/50/216355150.db2.gz	OVTDKFZUCPHOKB-UHFFFAOYSA-N	-1	3	340.445	2.071	1	30		EEEFHM
C[C@@](COc1ccc(-c2ccccc2)cc1)(C(=O)N[O-])S(C)(=O)=O	ZINC000073310067	216376889	/nfs/dbraw/zinc/37/68/89/216376889.db2.gz	PBUOBWNMBHSRIY-QGZVFWFLSA-N	-1	3	349.408	2.041	1	30		EEEFHM
CC(C)=CC[C@@H](OCCO)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000072183183	216067015	/nfs/dbraw/zinc/06/70/15/216067015.db2.gz	FCNRLKXRVLWCCM-OAHLLOKOSA-N	-1	3	332.352	2.137	1	30		EEEFHM
CC(C)=CC[C@@H](OCCO)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000072183183	216067017	/nfs/dbraw/zinc/06/70/17/216067017.db2.gz	FCNRLKXRVLWCCM-OAHLLOKOSA-N	-1	3	332.352	2.137	1	30		EEEFHM
C=C[C@H](CCc1ccc(C(=O)OCC)cc1)c1c(N)nc(N)[n-]c1=O	ZINC000001662804	209777221	/nfs/dbraw/zinc/77/72/21/209777221.db2.gz	FGBZUJXPLVUXJQ-GFCCVEGCSA-N	-1	3	342.399	2.013	1	30		EEEFHM
COC(=O)[C@@]1(c2cccc(OCc3ccccc3)c2)C[C@H]1C(=O)N[O-]	ZINC000029134809	202182117	/nfs/dbraw/zinc/18/21/17/202182117.db2.gz	GVBYOUWYVHIZCE-QFBILLFUSA-N	-1	3	341.363	2.202	1	30		EEEFHM
O=C1C=C(N2CCN(c3ccccc3)CC2)C(=O)c2cccc([O-])c21	ZINC000071294446	203091407	/nfs/dbraw/zinc/09/14/07/203091407.db2.gz	SMWAKBOPLFIQQV-UHFFFAOYSA-N	-1	3	334.375	2.477	1	30		EEEFHM
O=C(CCC1=CCN(Cc2ccc(Br)cc2)C1=O)N[O-]	ZINC000036423072	202325779	/nfs/dbraw/zinc/32/57/79/202325779.db2.gz	RBDTUYJXXZIFKA-UHFFFAOYSA-N	-1	3	339.189	2.003	1	30		EEEFHM
CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)c2ccc([O-])cc2)[C@@H]1O	ZINC000040812377	213390149	/nfs/dbraw/zinc/39/01/49/213390149.db2.gz	GBKMQCYVHBYTGQ-IRXDYDNUSA-N	-1	3	338.363	2.267	1	30		EEEFHM
O=C(N[O-])[C@H]1C[C@@H](c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1	ZINC000013808789	581099520	/nfs/dbraw/zinc/09/95/20/581099520.db2.gz	TUIHSDQRXNNCLL-LSDHHAIUSA-N	-1	3	330.315	2.096	1	30		EEEFHM
Cc1ccc(S(=O)(=O)N2CCC(CCCC(=O)N[O-])CC2)cc1	ZINC000073129889	216353305	/nfs/dbraw/zinc/35/33/05/216353305.db2.gz	SREHNPGGMJPTSF-UHFFFAOYSA-N	-1	3	340.445	2.071	1	30		EEEFHM
CC(C)C[C@@H](C(=O)N[O-])C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000035276512	213016832	/nfs/dbraw/zinc/01/68/32/213016832.db2.gz	DTDRBGDWVVJPEW-GFCCVEGCSA-N	-1	3	332.322	2.489	1	30		EEEFHM
O=C1C=C(N2CCN(c3ccccc3)CC2)C(=O)c2c([O-])cccc21	ZINC000071295116	203091385	/nfs/dbraw/zinc/09/13/85/203091385.db2.gz	ADMCRKZCGGZRLA-UHFFFAOYSA-N	-1	3	334.375	2.477	1	30		EEEFHM
O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)N[O-]	ZINC000040420873	581101715	/nfs/dbraw/zinc/10/17/15/581101715.db2.gz	IXKLILPHPNZHNB-CSKARUKUSA-N	-1	3	327.384	2.430	1	30		EEEFHM
COc1ccc(S(=O)(=O)[C@H](CC(=O)N[O-])c2ccccc2)cc1	ZINC000029391817	202185893	/nfs/dbraw/zinc/18/58/93/202185893.db2.gz	SZVMBGCUMABOMY-OAHLLOKOSA-N	-1	3	335.381	2.106	1	30		EEEFHM
COc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000020249597	212114579	/nfs/dbraw/zinc/11/45/79/212114579.db2.gz	IGLFCFBYVFVEHD-CXUHLZMHSA-N	-1	3	340.788	2.367	1	30		EEEFHM
COC(=O)c1cc(OC)ccc1Oc1nc[n-]c(=O)c1C=CC(C)=O	ZINC000072176120	216064714	/nfs/dbraw/zinc/06/47/14/216064714.db2.gz	LMOBXFATXIKNGH-GQCTYLIASA-N	-1	3	344.323	2.372	1	30		EEEFHM
CN(CC(=O)[C@@H](Cc1ccccc1)C(=O)N[O-])Cc1ccccc1	ZINC000101071043	219115559	/nfs/dbraw/zinc/11/55/59/219115559.db2.gz	VMWDFCRHJFIGQM-QGZVFWFLSA-N	-1	3	326.396	2.052	1	30		EEEFHM
CN(CC(=O)[C@H](Cc1ccccc1)C(=O)N[O-])Cc1ccccc1	ZINC000101071048	219115615	/nfs/dbraw/zinc/11/56/15/219115615.db2.gz	VMWDFCRHJFIGQM-KRWDZBQOSA-N	-1	3	326.396	2.052	1	30		EEEFHM
Nc1cccc(-c2cc(C(=O)NCCCCCCC(=O)N[O-])no2)c1	ZINC000033132728	581100682	/nfs/dbraw/zinc/10/06/82/581100682.db2.gz	BYKMCJLDXBMWTO-UHFFFAOYSA-N	-1	3	346.387	2.110	1	30		EEEFHM
CC(C)C[C@H](C(=O)N[O-])C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000035276507	213017231	/nfs/dbraw/zinc/01/72/31/213017231.db2.gz	DTDRBGDWVVJPEW-LBPRGKRZSA-N	-1	3	332.322	2.489	1	30		EEEFHM
O=C(N[O-])[C@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)C(=O)N1	ZINC000028227690	581099833	/nfs/dbraw/zinc/09/98/33/581099833.db2.gz	XYJDYCVPZSFGLI-OAHLLOKOSA-N	-1	3	345.330	2.017	1	30		EEEFHM
COc1ccc(S(=O)(=O)[C@@H](CC(=O)N[O-])C2CCCCC2)cc1	ZINC000029395923	202185735	/nfs/dbraw/zinc/18/57/35/202185735.db2.gz	NATAMMXFTCDJKF-HNNXBMFYSA-N	-1	3	341.429	2.313	1	30		EEEFHM
C[C@](COc1ccc(-c2ccccc2)cc1)(C(=O)N[O-])S(C)(=O)=O	ZINC000073310071	203262478	/nfs/dbraw/zinc/26/24/78/203262478.db2.gz	PBUOBWNMBHSRIY-KRWDZBQOSA-N	-1	3	349.408	2.041	1	30		EEEFHM
CCOC(=O)c1ccc(Oc2nc[n-]c(=O)c2C=CC(C)=O)cc1	ZINC000072139895	203168622	/nfs/dbraw/zinc/16/86/22/203168622.db2.gz	MKRCJRKXDMLVKG-RUDMXATFSA-N	-1	3	328.324	2.341	1	30		EEEFHM
O=C1c2ncc3c(ccn3Cc3ncc(F)cc3F)c2CCN1[O-]	ZINC000071296584	203091164	/nfs/dbraw/zinc/09/11/64/203091164.db2.gz	ZKBGNAQOFJQDBQ-UHFFFAOYSA-N	-1	3	330.294	2.145	1	30		EEEFHM
COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)N[O-])cc21	ZINC000013490060	581100282	/nfs/dbraw/zinc/10/02/82/581100282.db2.gz	WBWKROXBLJWTKY-UHFFFAOYSA-N	-1	3	333.388	2.362	1	30		EEEFHM
COC(=O)[C@]1(c2cccc(OCc3ccccc3)c2)C[C@@H]1C(=O)N[O-]	ZINC000029134807	212653833	/nfs/dbraw/zinc/65/38/33/212653833.db2.gz	GVBYOUWYVHIZCE-APWZRJJASA-N	-1	3	341.363	2.202	1	30		EEEFHM
CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=O)c2ccc([O-])cc2)[C@@H]1O	ZINC000040812375	213389362	/nfs/dbraw/zinc/38/93/62/213389362.db2.gz	GBKMQCYVHBYTGQ-SJORKVTESA-N	-1	3	338.363	2.267	1	30		EEEFHM
O=C(N[O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000073296049	216373840	/nfs/dbraw/zinc/37/38/40/216373840.db2.gz	XYGPNXMBVTVKDQ-INIZCTEOSA-N	-1	3	346.408	2.012	1	30		EEEFHM
O=C(C#Cc1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)N[O-]	ZINC000040895811	213398509	/nfs/dbraw/zinc/39/85/09/213398509.db2.gz	OSJPFXGKTUJNDX-WOJGMQOQSA-N	-1	3	339.307	2.002	1	30		EEEFHM
O=C(N[O-])[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1	ZINC000003817611	210076661	/nfs/dbraw/zinc/07/66/61/210076661.db2.gz	NBBPYGNNDFCNNP-OAHLLOKOSA-N	-1	3	345.330	2.017	1	30		EEEFHM
OC1C2CC3CC1CC(C2)C3(C#Cc1ccccc1)Cc1nnn[n-]1	ZINC000103230749	219272791	/nfs/dbraw/zinc/27/27/91/219272791.db2.gz	GAGLGFSQMXZPHF-UHFFFAOYSA-N	-1	3	334.423	2.207	1	30		EEEFHM
OC1C2CC3CC1CC(C2)C3(C#Cc1ccccc1)Cc1nn[n-]n1	ZINC000103230749	219272794	/nfs/dbraw/zinc/27/27/94/219272794.db2.gz	GAGLGFSQMXZPHF-UHFFFAOYSA-N	-1	3	334.423	2.207	1	30		EEEFHM
COc1ccc([C@]2(C#N)C[C@H]3C[C@@H](C(=O)N[O-])C[C@H]3C2)cc1OC	ZINC000100776242	219106408	/nfs/dbraw/zinc/10/64/08/219106408.db2.gz	FRZCXGDYYXKYJH-TZTHQDNISA-N	-1	3	330.384	2.407	1	30		EEEFHM
CO/N=C1\c2cc(C)ccc2N(CCCCCCC(=O)N[O-])C1=O	ZINC000103294335	219285439	/nfs/dbraw/zinc/28/54/39/219285439.db2.gz	JRGZEGIUJRUFDD-KNTRCKAVSA-N	-1	3	333.388	2.148	1	30		EEEFHM