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]([NH2+]C1CC[NH+](C)CC1)c1ccc2cc(OC)ccc2c1	ZINC000161465035	522812384	/nfs/dbraw/zinc/81/23/84/522812384.db2.gz	HAAQVHFQYUQXFF-HXUWFJFHSA-N	2	1	312.457	3.983	20	70		DHIDMP
Cc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1	ZINC000159753189	525415283	/nfs/dbraw/zinc/41/52/83/525415283.db2.gz	HKURKEDKCFIQSP-KRWDZBQOSA-N	2	1	304.478	3.535	20	70		DHIDMP
C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)c2cccc(Br)c21	ZINC000161499745	524920900	/nfs/dbraw/zinc/92/09/00/524920900.db2.gz	DZNKZXHQOAGDTP-NHYWBVRUSA-N	2	1	323.278	3.681	20	70		DHIDMP
C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccn1	ZINC000159382710	525299825	/nfs/dbraw/zinc/29/98/25/525299825.db2.gz	LKZJJEMIASCDMD-BZSNNMDCSA-N	2	1	323.484	3.889	20	70		DHIDMP
C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1	ZINC000161104984	525612048	/nfs/dbraw/zinc/61/20/48/525612048.db2.gz	FVIPZGMPGMBXRW-QEJZJMRPSA-N	2	1	303.475	3.820	20	70		DHIDMP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1	ZINC000161421581	525400900	/nfs/dbraw/zinc/40/09/00/525400900.db2.gz	CCBLMIYKXAOSTN-GFCCVEGCSA-N	2	1	314.445	3.789	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1	ZINC000161294790	527377700	/nfs/dbraw/zinc/37/77/00/527377700.db2.gz	SXRATRNLPPXDLC-OAHLLOKOSA-N	2	1	306.413	3.735	20	70		DHIDMP
CC(C)c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000160663444	333259010	/nfs/dbraw/zinc/25/90/10/333259010.db2.gz	GFKZPBXKJAJKHV-YLJYHZDGSA-N	2	1	318.505	3.698	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1	ZINC000159586577	527382687	/nfs/dbraw/zinc/38/26/87/527382687.db2.gz	AMTXUWITPTYTAE-BBRMVZONSA-N	2	1	301.459	3.727	20	70		DHIDMP
CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C)CC1	ZINC000161507959	337590248	/nfs/dbraw/zinc/59/02/48/337590248.db2.gz	ZAYDKRUKQSNRIN-SFHVURJKSA-N	2	1	308.897	3.981	20	70		DHIDMP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160486125	524909598	/nfs/dbraw/zinc/90/95/98/524909598.db2.gz	JSUGHZIAVHWYJA-VYDXJSESSA-N	2	1	304.503	3.630	20	70		DHIDMP
Cc1cccc(NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1	ZINC000161435773	524671425	/nfs/dbraw/zinc/67/14/25/524671425.db2.gz	WWQWPKGRBYFEFM-UHFFFAOYSA-N	2	1	315.505	3.747	20	70		DHIDMP
C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccc(Br)c21	ZINC000161499842	525263819	/nfs/dbraw/zinc/26/38/19/525263819.db2.gz	DZNKZXHQOAGDTP-IAQYHMDHSA-N	2	1	323.278	3.681	20	70		DHIDMP
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(SCC(F)F)cc1	ZINC000161421449	525292948	/nfs/dbraw/zinc/29/29/48/525292948.db2.gz	CCBLMIYKXAOSTN-LBPRGKRZSA-N	2	1	314.445	3.789	20	70		DHIDMP
CC(C)c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1	ZINC000160663577	333261356	/nfs/dbraw/zinc/26/13/56/333261356.db2.gz	GFKZPBXKJAJKHV-FXAWDEMLSA-N	2	1	318.505	3.698	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOCC(C)C)cc1	ZINC000160698826	333476932	/nfs/dbraw/zinc/47/69/32/333476932.db2.gz	JBKJURFUAIUMPH-HNNXBMFYSA-N	2	1	301.434	3.504	20	70		DHIDMP
C[C@H]([NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1	ZINC000159382574	525298792	/nfs/dbraw/zinc/29/87/92/525298792.db2.gz	LKZJJEMIASCDMD-YQMJFVBQSA-N	2	1	323.484	3.889	20	70		DHIDMP
C[C@H]([NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1	ZINC000159382574	525298800	/nfs/dbraw/zinc/29/88/00/525298800.db2.gz	LKZJJEMIASCDMD-YQMJFVBQSA-N	2	1	323.484	3.889	20	70		DHIDMP
CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434726	522202857	/nfs/dbraw/zinc/20/28/57/522202857.db2.gz	QLUCWJXGDAVNIN-QLFBSQMISA-N	2	1	310.869	3.570	20	70		DHIDMP
C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccc(Br)c21	ZINC000161499943	524805175	/nfs/dbraw/zinc/80/51/75/524805175.db2.gz	DZNKZXHQOAGDTP-XHDPSFHLSA-N	2	1	323.278	3.681	20	70		DHIDMP
C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccn1	ZINC000159382842	525299187	/nfs/dbraw/zinc/29/91/87/525299187.db2.gz	LKZJJEMIASCDMD-KURKYZTESA-N	2	1	323.484	3.889	20	70		DHIDMP
Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1	ZINC000160500710	525732738	/nfs/dbraw/zinc/73/27/38/525732738.db2.gz	NJWGGPXJLJCIIB-GOSISDBHSA-N	2	1	324.468	3.678	20	70		DHIDMP
Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCCO2	ZINC000161077669	526211538	/nfs/dbraw/zinc/21/15/38/526211538.db2.gz	OAOXXKCCNXXWOD-XYJFISCASA-N	2	1	302.462	3.671	20	70		DHIDMP
C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1	ZINC000161105081	525678627	/nfs/dbraw/zinc/67/86/27/525678627.db2.gz	FVIPZGMPGMBXRW-SNPRPXQTSA-N	2	1	303.475	3.820	20	70		DHIDMP
CC1(C)CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC(C)(C)[NH2+]1	ZINC000159593309	332676395	/nfs/dbraw/zinc/67/63/95/332676395.db2.gz	ZMUNIJQOHUCHIU-UHFFFAOYSA-N	3	1	321.553	3.682	20	70		DHIDMP
C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)c2cccc(Br)c21	ZINC000161499657	525435801	/nfs/dbraw/zinc/43/58/01/525435801.db2.gz	DZNKZXHQOAGDTP-ABAIWWIYSA-N	2	1	323.278	3.681	20	70		DHIDMP
Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1	ZINC000159768135	526045335	/nfs/dbraw/zinc/04/53/35/526045335.db2.gz	YUALWKFZYUPNNA-LJQANCHMSA-N	2	1	314.473	3.518	20	70		DHIDMP
Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1	ZINC000159768135	526045338	/nfs/dbraw/zinc/04/53/38/526045338.db2.gz	YUALWKFZYUPNNA-LJQANCHMSA-N	2	1	314.473	3.518	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1	ZINC000161294669	527381913	/nfs/dbraw/zinc/38/19/13/527381913.db2.gz	SXRATRNLPPXDLC-HNNXBMFYSA-N	2	1	306.413	3.735	20	70		DHIDMP
C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)c(F)c(F)c1	ZINC000161065521	333792721	/nfs/dbraw/zinc/79/27/21/333792721.db2.gz	ZHLBMIMKDHLNAL-DRZSPHRISA-N	2	1	300.368	3.627	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1	ZINC000159586318	527382190	/nfs/dbraw/zinc/38/21/90/527382190.db2.gz	AMTXUWITPTYTAE-XJKSGUPXSA-N	2	1	301.459	3.727	20	70		DHIDMP
CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccco1	ZINC000160301279	520702453	/nfs/dbraw/zinc/70/24/53/520702453.db2.gz	OWFCDHBHXTXLJS-MRXNPFEDSA-N	2	1	316.445	3.851	20	70		DHIDMP
Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000160631599	332840230	/nfs/dbraw/zinc/84/02/30/332840230.db2.gz	DFXLTNLJHBPQLL-GOSISDBHSA-N	2	1	324.468	3.678	20	70		DHIDMP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160485998	524915514	/nfs/dbraw/zinc/91/55/14/524915514.db2.gz	JSUGHZIAVHWYJA-INMHGKMJSA-N	2	1	304.503	3.630	20	70		DHIDMP
Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1	ZINC000159753064	525360375	/nfs/dbraw/zinc/36/03/75/525360375.db2.gz	HKURKEDKCFIQSP-QGZVFWFLSA-N	2	1	304.478	3.535	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1	ZINC000159586178	527380930	/nfs/dbraw/zinc/38/09/30/527380930.db2.gz	AMTXUWITPTYTAE-CZUORRHYSA-N	2	1	301.459	3.727	20	70		DHIDMP
C[NH+]1CCC([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1	ZINC000161507453	337590246	/nfs/dbraw/zinc/59/02/46/337590246.db2.gz	DELPJFLLIHACJB-JOCHJYFZSA-N	2	1	322.496	3.914	20	70		DHIDMP
CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434548	522202122	/nfs/dbraw/zinc/20/21/22/522202122.db2.gz	QLUCWJXGDAVNIN-RBSFLKMASA-N	2	1	310.869	3.570	20	70		DHIDMP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160486249	524914076	/nfs/dbraw/zinc/91/40/76/524914076.db2.gz	JSUGHZIAVHWYJA-BFYDXBDKSA-N	2	1	304.503	3.630	20	70		DHIDMP
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1	ZINC000160500844	525927347	/nfs/dbraw/zinc/92/73/47/525927347.db2.gz	NJWGGPXJLJCIIB-SFHVURJKSA-N	2	1	324.468	3.678	20	70		DHIDMP
C[NH+]1CCC([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1	ZINC000161495178	523779100	/nfs/dbraw/zinc/77/91/00/523779100.db2.gz	CQHTZOHVGKLNRZ-HNNXBMFYSA-N	2	1	310.894	3.951	20	70		DHIDMP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1	ZINC000159586444	527380943	/nfs/dbraw/zinc/38/09/43/527380943.db2.gz	AMTXUWITPTYTAE-CJNGLKHVSA-N	2	1	301.459	3.727	20	70		DHIDMP
Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1	ZINC000159767977	526045587	/nfs/dbraw/zinc/04/55/87/526045587.db2.gz	YUALWKFZYUPNNA-IBGZPJMESA-N	2	1	314.473	3.518	20	70		DHIDMP
Cc1ccc(C(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1	ZINC000159767977	526045603	/nfs/dbraw/zinc/04/56/03/526045603.db2.gz	YUALWKFZYUPNNA-IBGZPJMESA-N	2	1	314.473	3.518	20	70		DHIDMP
CC[N@H+]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481500	521714825	/nfs/dbraw/zinc/71/48/25/521714825.db2.gz	OFLVHONKLNMVTO-NVXWUHKLSA-N	2	1	304.503	3.631	20	70		DHIDMP
CC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434629	522553790	/nfs/dbraw/zinc/55/37/90/522553790.db2.gz	QLUCWJXGDAVNIN-ILXRZTDVSA-N	2	1	310.869	3.570	20	70		DHIDMP
C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC(F)F	ZINC000161057746	333792137	/nfs/dbraw/zinc/79/21/37/333792137.db2.gz	GZDJJIDZBCXVCE-MJBXVCDLSA-N	2	1	312.404	3.811	20	70		DHIDMP
CC[N@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481369	521721339	/nfs/dbraw/zinc/72/13/39/521721339.db2.gz	OFLVHONKLNMVTO-WBVHZDCISA-N	2	1	304.503	3.631	20	70		DHIDMP
C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1	ZINC000161104762	525562311	/nfs/dbraw/zinc/56/23/11/525562311.db2.gz	FVIPZGMPGMBXRW-CFVMTHIKSA-N	2	1	303.475	3.820	20	70		DHIDMP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160486373	524910337	/nfs/dbraw/zinc/91/03/37/524910337.db2.gz	JSUGHZIAVHWYJA-HLLBOEOZSA-N	2	1	304.503	3.630	20	70		DHIDMP
C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1	ZINC000161104860	525638184	/nfs/dbraw/zinc/63/81/84/525638184.db2.gz	FVIPZGMPGMBXRW-YUELXQCFSA-N	2	1	303.475	3.820	20	70		DHIDMP
CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2cc(OC)ccc2c1	ZINC000161464890	522560702	/nfs/dbraw/zinc/56/07/02/522560702.db2.gz	HAAQVHFQYUQXFF-FQEVSTJZSA-N	2	1	312.457	3.983	20	70		DHIDMP
c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C(C2CC2)C2CC2)C3)cc1	ZINC000161060694	526471786	/nfs/dbraw/zinc/47/17/86/526471786.db2.gz	YPIALJZCFBIUIU-IHWFROFDSA-N	2	1	310.485	3.960	20	70		DHIDMP
CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccco1	ZINC000160301159	520701994	/nfs/dbraw/zinc/70/19/94/520701994.db2.gz	OWFCDHBHXTXLJS-INIZCTEOSA-N	2	1	316.445	3.851	20	70		DHIDMP
C[C@@H](c1ccccn1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000160060977	526116073	/nfs/dbraw/zinc/11/60/73/526116073.db2.gz	FKHFLWXALLELCV-INIZCTEOSA-N	2	1	318.424	3.513	20	70		DHIDMP
C[C@H](c1ccccn1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000160061117	526125323	/nfs/dbraw/zinc/12/53/23/526125323.db2.gz	FKHFLWXALLELCV-MRXNPFEDSA-N	2	1	318.424	3.513	20	70		DHIDMP
C[NH+]1CCC([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1	ZINC000161495061	523778192	/nfs/dbraw/zinc/77/81/92/523778192.db2.gz	CQHTZOHVGKLNRZ-OAHLLOKOSA-N	2	1	310.894	3.951	20	70		DHIDMP
CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434435	522549360	/nfs/dbraw/zinc/54/93/60/522549360.db2.gz	QLUCWJXGDAVNIN-KFWWJZLASA-N	2	1	310.869	3.570	20	70		DHIDMP