smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217022914	525319936	/nfs/dbraw/zinc/31/99/36/525319936.db2.gz	SGVWMELEYKJLQI-KRWDZBQOSA-N	1	0	368.477	3.874	40	70		FHIBRO
Cc1ccc(/C=C/C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216931339	525952083	/nfs/dbraw/zinc/95/20/83/525952083.db2.gz	DYKNLGSIEURZNP-FMIVXFBMSA-N	1	0	364.489	3.798	40	70		FHIBRO
Cc1cc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc(C)c1Cl	ZINC000216946314	525378898	/nfs/dbraw/zinc/37/88/98/525378898.db2.gz	PSPMDWFHYUUUEY-HNNXBMFYSA-N	1	0	352.906	3.572	40	70		FHIBRO
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216946216	525929974	/nfs/dbraw/zinc/92/99/74/525929974.db2.gz	XDABOZIGHVCXPL-OAHLLOKOSA-N	1	0	372.440	3.705	40	70		FHIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1	ZINC000216950572	523782847	/nfs/dbraw/zinc/78/28/47/523782847.db2.gz	XZAQBBBFRSYDPD-UHFFFAOYSA-N	1	0	374.868	3.831	40	70		FHIBRO
Cc1ccc(C)c(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217020805	524093631	/nfs/dbraw/zinc/09/36/31/524093631.db2.gz	WFGIEGMJAZBBEJ-UHFFFAOYSA-N	1	0	366.505	3.635	40	70		FHIBRO
Cc1ccccc1CSCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000216928429	525181064	/nfs/dbraw/zinc/18/10/64/525181064.db2.gz	KEOOJLSIVGVAQL-UHFFFAOYSA-N	1	0	369.534	3.619	40	70		FHIBRO
CN(CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1	ZINC000218612053	206371937	/nfs/dbraw/zinc/37/19/37/206371937.db2.gz	YTEQFIBGIAYURH-UHFFFAOYSA-N	1	0	351.494	3.539	40	70		FHIBRO
C[NH+]1CCC(CCNC(=O)CSCc2c(F)cccc2Cl)CC1	ZINC000216931718	523757333	/nfs/dbraw/zinc/75/73/33/523757333.db2.gz	LFHRIAGUCRRQKU-UHFFFAOYSA-N	1	0	358.910	3.560	40	70		FHIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)cc2Cl)C1	ZINC000216907050	523812036	/nfs/dbraw/zinc/81/20/36/523812036.db2.gz	PYVMWXLKDLSZIT-GFCCVEGCSA-N	1	0	361.338	3.685	40	70		FHIBRO
COc1ccccc1/C=C/C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216927671	524314800	/nfs/dbraw/zinc/31/48/00/524314800.db2.gz	XHVBLXUAOXEMFL-KPKJPENVSA-N	1	0	366.461	3.820	40	70		FHIBRO
C[NH+]1CCC(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1	ZINC000216898477	523756235	/nfs/dbraw/zinc/75/62/35/523756235.db2.gz	DLCKGMBXGBPXSU-UHFFFAOYSA-N	1	0	370.468	3.753	40	70		FHIBRO
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216946008	524773975	/nfs/dbraw/zinc/77/39/75/524773975.db2.gz	CHOBENCBIBKEQI-KRWDZBQOSA-N	1	0	368.477	3.874	40	70		FHIBRO
Cc1ccc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C	ZINC000216946477	525395425	/nfs/dbraw/zinc/39/54/25/525395425.db2.gz	YUBAKLNHZSJSPP-UHFFFAOYSA-N	1	0	368.477	3.794	40	70		FHIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCSCc2c(Cl)cccc2Cl)C1	ZINC000216907625	523836542	/nfs/dbraw/zinc/83/65/42/523836542.db2.gz	VZFOFTUBCYGLEX-LBPRGKRZSA-N	1	0	361.338	3.685	40	70		FHIBRO
Cc1cc(C)cc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216946122	524441479	/nfs/dbraw/zinc/44/14/79/524441479.db2.gz	VZJYCROWDSYPMV-UHFFFAOYSA-N	1	0	368.477	3.794	40	70		FHIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)CC1	ZINC000216926802	206361655	/nfs/dbraw/zinc/36/16/55/206361655.db2.gz	PQSVQXUAJBLKBL-NYYWCZLTSA-N	1	0	354.425	3.951	40	70		FHIBRO
C[NH+]1CCC(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)CC1	ZINC000216920040	523750164	/nfs/dbraw/zinc/75/01/64/523750164.db2.gz	FPCMQADSEHQMQF-UHFFFAOYSA-N	1	0	361.338	3.685	40	70		FHIBRO
Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217022953	525322289	/nfs/dbraw/zinc/32/22/89/525322289.db2.gz	SGVWMELEYKJLQI-QGZVFWFLSA-N	1	0	368.477	3.874	40	70		FHIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1	ZINC000216910395	568153234	/nfs/dbraw/zinc/15/32/34/568153234.db2.gz	ZIOGBIOXAQZNNI-OAHLLOKOSA-N	1	0	356.853	3.851	40	70		FHIBRO
C[NH+]1CCC(CC(=O)NCCCSCc2cccc(Cl)c2)CC1	ZINC000216903392	523754474	/nfs/dbraw/zinc/75/44/74/523754474.db2.gz	PJCLIHAPWDXZOG-UHFFFAOYSA-N	1	0	354.947	3.811	40	70		FHIBRO
CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217027542	522876506	/nfs/dbraw/zinc/87/65/06/522876506.db2.gz	NJWPHKHBIVAFRW-NRFANRHFSA-N	1	0	354.494	3.845	40	70		FHIBRO
CCc1ccc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217011790	524005265	/nfs/dbraw/zinc/00/52/65/524005265.db2.gz	UCOIZYGWHFLRMJ-UHFFFAOYSA-N	1	0	368.477	3.740	40	70		FHIBRO
Cc1ccc(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C	ZINC000216950228	524265042	/nfs/dbraw/zinc/26/50/42/524265042.db2.gz	PWDWUKUUDXBQSP-UHFFFAOYSA-N	1	0	366.505	3.635	40	70		FHIBRO
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216946027	524781217	/nfs/dbraw/zinc/78/12/17/524781217.db2.gz	CHOBENCBIBKEQI-QGZVFWFLSA-N	1	0	368.477	3.874	40	70		FHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccccc3Cl)cc2)CC1	ZINC000216925455	523783570	/nfs/dbraw/zinc/78/35/70/523783570.db2.gz	RWWZZONUWZMMGR-UHFFFAOYSA-N	1	0	358.869	3.743	40	70		FHIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCSCc2ccc(Cl)c(Cl)c2)C1	ZINC000216907236	523838730	/nfs/dbraw/zinc/83/87/30/523838730.db2.gz	GXLFUWPHMCMOST-ZDUSSCGKSA-N	1	0	361.338	3.685	40	70		FHIBRO
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216946232	525936359	/nfs/dbraw/zinc/93/63/59/525936359.db2.gz	XDABOZIGHVCXPL-HNNXBMFYSA-N	1	0	372.440	3.705	40	70		FHIBRO
C[NH+]1CCC(CC(=O)NCCCSCc2ccccc2Cl)CC1	ZINC000216903347	523754672	/nfs/dbraw/zinc/75/46/72/523754672.db2.gz	YMOWPFZQKZIOIM-UHFFFAOYSA-N	1	0	354.947	3.811	40	70		FHIBRO
C[NH+]1CCC(C(=O)NCCSCc2c(Cl)cccc2Cl)CC1	ZINC000216920225	523751140	/nfs/dbraw/zinc/75/11/40/523751140.db2.gz	OTEBOKUMZORFRC-UHFFFAOYSA-N	1	0	361.338	3.685	40	70		FHIBRO
CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217027503	523046654	/nfs/dbraw/zinc/04/66/54/523046654.db2.gz	NJWPHKHBIVAFRW-OAQYLSRUSA-N	1	0	354.494	3.845	40	70		FHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(F)cc3)cc2)CC1	ZINC000216926838	523782264	/nfs/dbraw/zinc/78/22/64/523782264.db2.gz	WPEAZFNQGVJHBP-IZZDOVSWSA-N	1	0	368.452	3.628	40	70		FHIBRO
Cc1ccc(C)c(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217011640	524169430	/nfs/dbraw/zinc/16/94/30/524169430.db2.gz	AUUIIBPJPJKCOR-UHFFFAOYSA-N	1	0	368.477	3.794	40	70		FHIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1	ZINC000216925158	523782447	/nfs/dbraw/zinc/78/24/47/523782447.db2.gz	ANZXMIOMKQXDBL-UHFFFAOYSA-N	1	0	374.868	3.831	40	70		FHIBRO
C[NH+]1CCC(CC(=O)NCCSCc2c(F)cccc2Cl)CC1	ZINC000216894152	523754496	/nfs/dbraw/zinc/75/44/96/523754496.db2.gz	LAMFLQQDQMFDNF-UHFFFAOYSA-N	1	0	358.910	3.560	40	70		FHIBRO
CSc1ccccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216931553	526152223	/nfs/dbraw/zinc/15/22/23/526152223.db2.gz	NTCCELJCNAPYGN-UHFFFAOYSA-N	1	0	370.518	3.812	40	70		FHIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1	ZINC000216910425	568153221	/nfs/dbraw/zinc/15/32/21/568153221.db2.gz	ZIOGBIOXAQZNNI-HNNXBMFYSA-N	1	0	356.853	3.851	40	70		FHIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)c(Cl)c2)C1	ZINC000216907205	523813529	/nfs/dbraw/zinc/81/35/29/523813529.db2.gz	GXLFUWPHMCMOST-CYBMUJFWSA-N	1	0	361.338	3.685	40	70		FHIBRO
COc1ccc(/C=C/C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216926941	523397513	/nfs/dbraw/zinc/39/75/13/523397513.db2.gz	KIPWPLKKWNGSEQ-LFYBBSHMSA-N	1	0	366.461	3.820	40	70		FHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216943070	523782611	/nfs/dbraw/zinc/78/26/11/523782611.db2.gz	DCNIQUVRMXWHOG-UHFFFAOYSA-N	1	0	372.896	3.672	40	70		FHIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2c(Cl)cccc2Cl)C1	ZINC000216907597	523812949	/nfs/dbraw/zinc/81/29/49/523812949.db2.gz	VZFOFTUBCYGLEX-GFCCVEGCSA-N	1	0	361.338	3.685	40	70		FHIBRO
Cc1cc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc(C)c1Cl	ZINC000216946329	525382669	/nfs/dbraw/zinc/38/26/69/525382669.db2.gz	PSPMDWFHYUUUEY-OAHLLOKOSA-N	1	0	352.906	3.572	40	70		FHIBRO
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217012650	525468521	/nfs/dbraw/zinc/46/85/21/525468521.db2.gz	COBQAJQCXDZDSB-QGZVFWFLSA-N	1	0	368.477	3.874	40	70		FHIBRO
C[NH+]1CCC(CCNC(=O)c2ccccc2OCc2ccccc2)CC1	ZINC000217013565	523759810	/nfs/dbraw/zinc/75/98/10/523759810.db2.gz	CCCMHPMHDZLNLR-UHFFFAOYSA-N	1	0	352.478	3.727	40	70		FHIBRO
Cc1ccc(C)c(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217020744	524096556	/nfs/dbraw/zinc/09/65/56/524096556.db2.gz	JGISCOMELKOUPQ-UHFFFAOYSA-N	1	0	352.478	3.958	40	70		FHIBRO
C[NH+]1CCC(CC(=O)NCCCSCc2ccc(Cl)cc2)CC1	ZINC000216903446	523754604	/nfs/dbraw/zinc/75/46/04/523754604.db2.gz	RQERWCLVRKFTON-UHFFFAOYSA-N	1	0	354.947	3.811	40	70		FHIBRO
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217012612	525459077	/nfs/dbraw/zinc/45/90/77/525459077.db2.gz	COBQAJQCXDZDSB-KRWDZBQOSA-N	1	0	368.477	3.874	40	70		FHIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCSCc2ccc(Cl)cc2Cl)C1	ZINC000216907081	523837938	/nfs/dbraw/zinc/83/79/38/523837938.db2.gz	PYVMWXLKDLSZIT-LBPRGKRZSA-N	1	0	361.338	3.685	40	70		FHIBRO