smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027795	568470404	/nfs/dbraw/zinc/47/04/04/568470404.db2.gz	IBKJHWXORXTHFS-HSZRJFAPSA-N	1	0	412.530	3.642	40	70		HHIBRO
Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)c(C)c1	ZINC000217565905	568472792	/nfs/dbraw/zinc/47/27/92/568472792.db2.gz	ZJJGWZQWROXYET-CGXNFDGLSA-N	1	0	422.912	3.792	40	70		HHIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)CC1	ZINC000218322451	568478315	/nfs/dbraw/zinc/47/83/15/568478315.db2.gz	LMLLLJMBKKDHMS-UHFFFAOYSA-N	1	0	415.493	3.912	40	70		HHIBRO
COc1ccc(CSCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216929885	568469312	/nfs/dbraw/zinc/46/93/12/568469312.db2.gz	AIPFCFUAEUMOJF-UHFFFAOYSA-N	1	0	414.571	3.718	40	70		HHIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1	ZINC000216950271	568469753	/nfs/dbraw/zinc/46/97/53/568469753.db2.gz	LSJUYBHKLYXCGG-UHFFFAOYSA-N	1	0	419.319	3.940	40	70		HHIBRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216948542	568469809	/nfs/dbraw/zinc/46/98/09/568469809.db2.gz	VCFFAQODCKPWQB-UHFFFAOYSA-N	1	0	414.358	3.687	40	70		HHIBRO
CCc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217583441	568472936	/nfs/dbraw/zinc/47/29/36/568472936.db2.gz	YFMMOCVQZBMPGN-CGXNFDGLSA-N	1	0	422.912	3.738	40	70		HHIBRO
Cc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1	ZINC000217599595	568473040	/nfs/dbraw/zinc/47/30/40/568473040.db2.gz	SDNYVZVJYMFPNP-YYDVJCTNSA-N	1	0	405.542	3.571	40	70		HHIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3c(F)cccc3Cl)cc2)CC1	ZINC000216948642	568469755	/nfs/dbraw/zinc/46/97/55/568469755.db2.gz	SIQSLUSKQRYZSK-UHFFFAOYSA-N	1	0	412.914	3.894	40	70		HHIBRO
CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217034380	568470419	/nfs/dbraw/zinc/47/04/19/568470419.db2.gz	YAFRVMYCUWPJOQ-NRFANRHFSA-N	1	0	400.494	3.773	40	70		HHIBRO
C[NH+]1CCC(CCNC(=O)COc2ccc(C(C)(C)C)cc2Br)CC1	ZINC000217010148	568470249	/nfs/dbraw/zinc/47/02/49/568470249.db2.gz	MVTSXRZNIMUVGN-UHFFFAOYSA-N	1	0	411.384	3.974	40	70		HHIBRO
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216947456	568469712	/nfs/dbraw/zinc/46/97/12/568469712.db2.gz	DLPOOJCILRVPRU-QHCPKHFHSA-N	1	0	412.530	3.642	40	70		HHIBRO
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217023341	568470391	/nfs/dbraw/zinc/47/03/91/568470391.db2.gz	QUHUNYUWJGEMCV-MRXNPFEDSA-N	1	0	402.922	3.897	40	70		HHIBRO
COc1cccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)c1	ZINC000218612705	568482539	/nfs/dbraw/zinc/48/25/39/568482539.db2.gz	GUEPPZCLJQBIPX-UHFFFAOYSA-N	1	0	406.486	3.661	40	70		HHIBRO
Cc1cc(C)cc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1	ZINC000217570775	568472923	/nfs/dbraw/zinc/47/29/23/568472923.db2.gz	ZHLKNLWCDJKAOX-ROKPMTFOSA-N	1	0	419.569	3.879	40	70		HHIBRO
C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1	ZINC000217579698	568472955	/nfs/dbraw/zinc/47/29/55/568472955.db2.gz	GAIXORVAXMXKSY-OBFMXLEASA-N	1	0	419.569	3.501	40	70		HHIBRO
C[NH+]1CCC(CCNC(=O)COc2ccc3ccccc3c2Br)CC1	ZINC000217010761	568470080	/nfs/dbraw/zinc/47/00/80/568470080.db2.gz	WLFDLTJPUPJIOJ-UHFFFAOYSA-N	1	0	405.336	3.829	40	70		HHIBRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216949335	568469783	/nfs/dbraw/zinc/46/97/83/568469783.db2.gz	RJZVCLFYPCDHAI-UHFFFAOYSA-N	1	0	414.358	3.687	40	70		HHIBRO
COc1ccc(SCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217017513	568470103	/nfs/dbraw/zinc/47/01/03/568470103.db2.gz	XKSDYCJNRKXQBR-UHFFFAOYSA-N	1	0	400.544	3.577	40	70		HHIBRO
CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217026813	568470382	/nfs/dbraw/zinc/47/03/82/568470382.db2.gz	WIUPIGIAQZSRNH-JOCHJYFZSA-N	1	0	400.494	3.773	40	70		HHIBRO
Cc1cccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1	ZINC000217567471	568472754	/nfs/dbraw/zinc/47/27/54/568472754.db2.gz	JFQGNNCALWRPAA-YYDVJCTNSA-N	1	0	405.542	3.571	40	70		HHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC1	ZINC000216925877	568469327	/nfs/dbraw/zinc/46/93/27/568469327.db2.gz	MBPHHPQBLBAIST-UHFFFAOYSA-N	1	0	403.320	3.852	40	70		HHIBRO
Cc1cc(C)c(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1	ZINC000216938500	568469481	/nfs/dbraw/zinc/46/94/81/568469481.db2.gz	HABSLUDSVRHBPB-UHFFFAOYSA-N	1	0	402.560	3.563	40	70		HHIBRO
C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1	ZINC000217579783	568472885	/nfs/dbraw/zinc/47/28/85/568472885.db2.gz	GAIXORVAXMXKSY-KLNOSBNDSA-N	1	0	419.569	3.501	40	70		HHIBRO
CCOc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1OCC	ZINC000217021185	568470090	/nfs/dbraw/zinc/47/00/90/568470090.db2.gz	BFNGAMANRBAKDX-UHFFFAOYSA-N	1	0	411.546	3.807	40	70		HHIBRO
C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217014796	568470212	/nfs/dbraw/zinc/47/02/12/568470212.db2.gz	AIFBHCNQMJJCDL-MRXNPFEDSA-N	1	0	402.922	3.897	40	70		HHIBRO
C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217023382	568470292	/nfs/dbraw/zinc/47/02/92/568470292.db2.gz	QUHUNYUWJGEMCV-INIZCTEOSA-N	1	0	402.922	3.897	40	70		HHIBRO
COc1ccc(/C=C/C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC	ZINC000216927096	568469316	/nfs/dbraw/zinc/46/93/16/568469316.db2.gz	NVKCYEXJMLTAKI-YRNVUSSQSA-N	1	0	410.514	3.506	40	70		HHIBRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216948428	568469719	/nfs/dbraw/zinc/46/97/19/568469719.db2.gz	DEQJTRRGWUZBSE-UHFFFAOYSA-N	1	0	414.358	3.687	40	70		HHIBRO
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216947437	568469730	/nfs/dbraw/zinc/46/97/30/568469730.db2.gz	DLPOOJCILRVPRU-HSZRJFAPSA-N	1	0	412.530	3.642	40	70		HHIBRO
CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027834	568470363	/nfs/dbraw/zinc/47/03/63/568470363.db2.gz	IBKJHWXORXTHFS-QHCPKHFHSA-N	1	0	412.530	3.642	40	70		HHIBRO
CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217034344	568470528	/nfs/dbraw/zinc/47/05/28/568470528.db2.gz	YAFRVMYCUWPJOQ-OAQYLSRUSA-N	1	0	400.494	3.773	40	70		HHIBRO
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216945893	568469787	/nfs/dbraw/zinc/46/97/87/568469787.db2.gz	LDDQVVCYAKOREV-MRXNPFEDSA-N	1	0	402.922	3.897	40	70		HHIBRO
COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)n2)c1	ZINC000218611400	568482534	/nfs/dbraw/zinc/48/25/34/568482534.db2.gz	FVIBWLFRHMTOIJ-UHFFFAOYSA-N	1	0	406.486	3.613	40	70		HHIBRO
COc1ccc(OCCCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216946839	568469693	/nfs/dbraw/zinc/46/96/93/568469693.db2.gz	BKRSCTNCJYDNJI-UHFFFAOYSA-N	1	0	412.530	3.644	40	70		HHIBRO
CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217034039	568470427	/nfs/dbraw/zinc/47/04/27/568470427.db2.gz	AYRUINCMIPGMPR-OAQYLSRUSA-N	1	0	412.530	3.642	40	70		HHIBRO
COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217017645	568470093	/nfs/dbraw/zinc/47/00/93/568470093.db2.gz	ZSYSITIUJHKGMX-KRWDZBQOSA-N	1	0	414.571	3.965	40	70		HHIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1	ZINC000217030406	568470300	/nfs/dbraw/zinc/47/03/00/568470300.db2.gz	NGGGFQQTXOJSJP-UHFFFAOYSA-N	1	0	422.411	3.509	40	70		HHIBRO
Cc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c(C)c1	ZINC000217589360	568472879	/nfs/dbraw/zinc/47/28/79/568472879.db2.gz	VBHHCVNDCIBTFZ-ROKPMTFOSA-N	1	0	419.569	3.879	40	70		HHIBRO
C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217014837	568470081	/nfs/dbraw/zinc/47/00/81/568470081.db2.gz	AIFBHCNQMJJCDL-INIZCTEOSA-N	1	0	402.922	3.897	40	70		HHIBRO
Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)c(C)c1	ZINC000217565818	568472747	/nfs/dbraw/zinc/47/27/47/568472747.db2.gz	ZJJGWZQWROXYET-MXEMCNAFSA-N	1	0	422.912	3.792	40	70		HHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccccc3Br)cc2)CC1	ZINC000216932126	568469240	/nfs/dbraw/zinc/46/92/40/568469240.db2.gz	DXCWIPXYSVSAMV-UHFFFAOYSA-N	1	0	403.320	3.852	40	70		HHIBRO
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217457101	568472212	/nfs/dbraw/zinc/47/22/12/568472212.db2.gz	QHUOCFWXCGQIMY-LWLURRNNSA-N	1	0	422.569	3.726	40	70		HHIBRO
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)n2)cc1	ZINC000218611509	568482492	/nfs/dbraw/zinc/48/24/92/568482492.db2.gz	IBDYGHNLOZJXPZ-UHFFFAOYSA-N	1	0	406.486	3.613	40	70		HHIBRO
Cc1cc(OCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Cl	ZINC000217011447	568470174	/nfs/dbraw/zinc/47/01/74/568470174.db2.gz	YFQQIZBDLKJULL-UHFFFAOYSA-N	1	0	402.922	3.817	40	70		HHIBRO
CCc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1	ZINC000217581409	568472914	/nfs/dbraw/zinc/47/29/14/568472914.db2.gz	MIPIVZINQFSHFR-ROKPMTFOSA-N	1	0	419.569	3.825	40	70		HHIBRO
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216945912	568469773	/nfs/dbraw/zinc/46/97/73/568469773.db2.gz	LDDQVVCYAKOREV-INIZCTEOSA-N	1	0	402.922	3.897	40	70		HHIBRO
CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217034082	568470468	/nfs/dbraw/zinc/47/04/68/568470468.db2.gz	AYRUINCMIPGMPR-NRFANRHFSA-N	1	0	412.530	3.642	40	70		HHIBRO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)[C@H]3C=C12	ZINC000217461311	568472202	/nfs/dbraw/zinc/47/22/02/568472202.db2.gz	XOMDYSJETNCOIU-TXKNMJMVSA-N	1	0	422.569	3.582	40	70		HHIBRO
COc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1	ZINC000218612803	568482482	/nfs/dbraw/zinc/48/24/82/568482482.db2.gz	YSZRVZQXGBDWRY-UHFFFAOYSA-N	1	0	406.486	3.661	40	70		HHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2)CC1	ZINC000217019353	568470070	/nfs/dbraw/zinc/47/00/70/568470070.db2.gz	RIUFGENQRMUDTE-UHFFFAOYSA-N	1	0	402.535	3.848	40	70		HHIBRO
COc1ccc(S[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217017683	568470141	/nfs/dbraw/zinc/47/01/41/568470141.db2.gz	ZSYSITIUJHKGMX-QGZVFWFLSA-N	1	0	414.571	3.965	40	70		HHIBRO
CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217026855	568470410	/nfs/dbraw/zinc/47/04/10/568470410.db2.gz	WIUPIGIAQZSRNH-QFIPXVFZSA-N	1	0	400.494	3.773	40	70		HHIBRO