smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CCCNC(=O)CC[C@@H]3N=C4c5ccccc5[N-]C(=S)N4C3=O)CC2)cc1	ZINC000002965544	552235808	/nfs/dbraw/zinc/23/58/08/552235808.db2.gz	GBJKWEULENFOFL-QHCPKHFHSA-N	-1	1	520.659	2.472	50	10		KECAMM
COc1ccc(N2CCN(CCCNC(=O)CC[C@H]3N=C4c5ccccc5[N-]C(=S)N4C3=O)CC2)cc1	ZINC000002965546	552235793	/nfs/dbraw/zinc/23/57/93/552235793.db2.gz	GBJKWEULENFOFL-HSZRJFAPSA-N	-1	1	520.659	2.472	50	10		KECAMM
O=C(COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)c1ccc2c(c1)NC(=O)CO2	ZINC000005942026	552514406	/nfs/dbraw/zinc/51/44/06/552514406.db2.gz	JWDUVDJKWLPMNH-UHFFFAOYSA-N	-1	1	527.467	2.472	50	10		KECAMM
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)CC1	ZINC000008872585	553173804	/nfs/dbraw/zinc/17/38/04/553173804.db2.gz	OFIZQGAOBHYMFW-VKAVYKQESA-N	-1	1	501.634	2.211	50	10		KECAMM
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)CC1	ZINC000008872587	553173755	/nfs/dbraw/zinc/17/37/55/553173755.db2.gz	VYYWXFWNSALMPK-LGMDPLHJSA-N	-1	1	501.634	2.211	50	10		KECAMM
CC[C@@H](C)N1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009252841	553227805	/nfs/dbraw/zinc/22/78/05/553227805.db2.gz	AMYJJFOTOORSLI-AOOKUXKSSA-N	-1	1	523.615	2.085	50	10		KECAMM
CC[C@H](C)N1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009252844	553227752	/nfs/dbraw/zinc/22/77/52/553227752.db2.gz	AMYJJFOTOORSLI-ZWTZFDSSSA-N	-1	1	523.615	2.085	50	10		KECAMM
CCCCN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009429225	553260745	/nfs/dbraw/zinc/26/07/45/553260745.db2.gz	PMMLCZKYQBUJRT-XEYRCQSKSA-N	-1	1	523.615	2.086	50	10		KECAMM
CCCCN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009429227	553260730	/nfs/dbraw/zinc/26/07/30/553260730.db2.gz	PMMLCZKYQBUJRT-UMEYKSNOSA-N	-1	1	523.615	2.086	50	10		KECAMM
CC[C@@H](C)N1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009433817	553263591	/nfs/dbraw/zinc/26/35/91/553263591.db2.gz	AMYJJFOTOORSLI-STWLCTNKSA-N	-1	1	523.615	2.085	50	10		KECAMM
CC[C@H](C)N1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009433818	553263671	/nfs/dbraw/zinc/26/36/71/553263671.db2.gz	AMYJJFOTOORSLI-YBXAONHESA-N	-1	1	523.615	2.085	50	10		KECAMM
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)oc4cc([O-])c(O)cc34)n2N)c1	ZINC000014358839	553513195	/nfs/dbraw/zinc/51/31/95/553513195.db2.gz	WFCZWBNYCYCRIL-UHFFFAOYSA-N	-1	1	517.589	2.499	50	10		KECAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(I)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000015240855	553530240	/nfs/dbraw/zinc/53/02/40/553530240.db2.gz	XTRNLSPMBZZUTE-WCLQXYBISA-N	-1	1	506.296	2.286	50	10		KECAMM
O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000032915036	553876412	/nfs/dbraw/zinc/87/64/12/553876412.db2.gz	MBOGXINLTZAJLM-QFIPXVFZSA-N	-1	1	522.605	2.039	50	10		KECAMM
O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000032915039	553876520	/nfs/dbraw/zinc/87/65/20/553876520.db2.gz	MBOGXINLTZAJLM-JOCHJYFZSA-N	-1	1	522.605	2.039	50	10		KECAMM
CN1C(=O)NC(=O)C(=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000033358386	553955092	/nfs/dbraw/zinc/95/50/92/553955092.db2.gz	GXNPTYFEECJIFU-FARCUNLSSA-N	-1	1	556.050	2.291	50	10		KECAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	ZINC000100648413	554436926	/nfs/dbraw/zinc/43/69/26/554436926.db2.gz	CHXQDOCXRPCFFB-UHFFFAOYSA-N	-1	1	542.307	2.207	50	10		KECAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	ZINC000100648413	554436923	/nfs/dbraw/zinc/43/69/23/554436923.db2.gz	CHXQDOCXRPCFFB-UHFFFAOYSA-N	-1	1	542.307	2.207	50	10		KECAMM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCCCCCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O	ZINC000100922209	554521927	/nfs/dbraw/zinc/52/19/27/554521927.db2.gz	NPIIHQCCKYBDMI-BOYKQRMESA-N	-1	1	572.622	2.051	50	10		KECAMM
O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000102798280	555071951	/nfs/dbraw/zinc/07/19/51/555071951.db2.gz	BDDIKCQCWMTFKT-UHFFFAOYSA-N	-1	1	546.583	2.224	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000150413654	571484658	/nfs/dbraw/zinc/48/46/58/571484658.db2.gz	GOOFZOQDLIMARN-OWPWEUQPSA-N	-1	1	714.765	2.071	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000150413654	571484656	/nfs/dbraw/zinc/48/46/56/571484656.db2.gz	GOOFZOQDLIMARN-OWPWEUQPSA-N	-1	1	714.765	2.071	50	10		KECAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(I)ccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000217510298	1066362918	/nfs/dbraw/zinc/36/29/18/1066362918.db2.gz	XTRNLSPMBZZUTE-LHUKNYEISA-N	-1	1	506.296	2.286	50	10		KECAMM
COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc2c1OCCO2	ZINC000230463980	572186403	/nfs/dbraw/zinc/18/64/03/572186403.db2.gz	RZECMGIEBJRCTJ-GOSISDBHSA-N	-1	1	533.537	2.472	50	10		KECAMM
COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc2c1OCCO2	ZINC000230464020	572186567	/nfs/dbraw/zinc/18/65/67/572186567.db2.gz	RZECMGIEBJRCTJ-SFHVURJKSA-N	-1	1	533.537	2.472	50	10		KECAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(I)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000247982062	572251277	/nfs/dbraw/zinc/25/12/77/572251277.db2.gz	XTRNLSPMBZZUTE-OPOADAIRSA-N	-1	1	506.296	2.286	50	10		KECAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(I)ccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000247982066	572251256	/nfs/dbraw/zinc/25/12/56/572251256.db2.gz	XTRNLSPMBZZUTE-WOYCLPQFSA-N	-1	1	506.296	2.286	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000253487193	572290290	/nfs/dbraw/zinc/29/02/90/572290290.db2.gz	GOOFZOQDLIMARN-NFKWAUNYSA-N	-1	1	714.765	2.071	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000253487193	572290289	/nfs/dbraw/zinc/29/02/89/572290289.db2.gz	GOOFZOQDLIMARN-NFKWAUNYSA-N	-1	1	714.765	2.071	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000253487194	572290333	/nfs/dbraw/zinc/29/03/33/572290333.db2.gz	GOOFZOQDLIMARN-OWDRAJCWSA-N	-1	1	714.765	2.071	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000253487194	572290331	/nfs/dbraw/zinc/29/03/31/572290331.db2.gz	GOOFZOQDLIMARN-OWDRAJCWSA-N	-1	1	714.765	2.071	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000253487195	572290373	/nfs/dbraw/zinc/29/03/73/572290373.db2.gz	GOOFZOQDLIMARN-WKWDHYKZSA-N	-1	1	714.765	2.071	50	10		KECAMM
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@H](O)[C@@H]1O)C(C)C)C(=O)OC(C)(C)C	ZINC000253487195	572290371	/nfs/dbraw/zinc/29/03/71/572290371.db2.gz	GOOFZOQDLIMARN-WKWDHYKZSA-N	-1	1	714.765	2.071	50	10		KECAMM
O=c1c(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCCC3)c([O-])c(C[NH+]3CCCCC3)c([O-])c12	ZINC000253499751	572293939	/nfs/dbraw/zinc/29/39/39/572293939.db2.gz	ZKPRSFXPAYNIJS-QMZIYNLUSA-N	-1	1	626.703	2.022	50	10		KECAMM
O=c1c(-c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCCC3)c([O-])c(C[NH+]3CCCCC3)c([O-])c12	ZINC000253499752	572293889	/nfs/dbraw/zinc/29/38/89/572293889.db2.gz	ZKPRSFXPAYNIJS-RKFLPCAWSA-N	-1	1	626.703	2.022	50	10		KECAMM
Cn1cnc(S(=O)(=O)N2CCCN(Cc3cccc(F)c3[O-])CCNC(=O)C[C@@H]2c2ccccc2)c1	ZINC000257182788	1066217453	/nfs/dbraw/zinc/21/74/53/1066217453.db2.gz	GWEFKXHXYLAFAI-JOCHJYFZSA-N	-1	1	515.611	2.409	50	10		KECAMM
Cn1cnc(S(=O)(=O)N2CCCN(Cc3cccc(F)c3[O-])CCNC(=O)C[C@H]2c2ccccc2)c1	ZINC000257182791	1066217514	/nfs/dbraw/zinc/21/75/14/1066217514.db2.gz	GWEFKXHXYLAFAI-QFIPXVFZSA-N	-1	1	515.611	2.409	50	10		KECAMM