smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(NC(=[NH+]c2c(C)cc(C)cc2C)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1	ZINC000003175844	194234792	/nfs/dbraw/zinc/23/47/92/194234792.db2.gz	GNDOTXISDSVYGY-UHFFFAOYSA-N	2	2	454.662	6.455	50	30		JKEALP
C[N@@H+]1CCc2c(C#N)c(N=CC3=CC(=[NH+]Nc4cccc(Br)c4)C=CC3=O)sc2C1	ZINC000009934827	523994702	/nfs/dbraw/zinc/99/47/02/523994702.db2.gz	UFQLLTIARFKBJG-YPAHDUIOSA-N	2	2	480.391	6.242	50	30		JKEALP
C[N@H+]1CCc2c(C#N)c(N=CC3=CC(=[NH+]Nc4cccc(Br)c4)C=CC3=O)sc2C1	ZINC000009934827	523994708	/nfs/dbraw/zinc/99/47/08/523994708.db2.gz	UFQLLTIARFKBJG-YPAHDUIOSA-N	2	2	480.391	6.242	50	30		JKEALP
Brc1cccc(/C=[NH+]/CCCCCC/[NH+]=C/c2cccc(Br)c2)c1	ZINC000100496713	569762446	/nfs/dbraw/zinc/76/24/46/569762446.db2.gz	OYGMBTLDXZXEAN-DFEHQXHXSA-N	2	2	450.218	6.310	50	30		JKEALP
O=[N+]([O-])c1cccc(/C=[NH+]/CCC23CC4CC(C2)CC(CC/[NH+]=C/c2cccc([N+](=O)[O-])c2)(C4)C3)c1	ZINC000015906657	527384823	/nfs/dbraw/zinc/38/48/23/527384823.db2.gz	MWBKFUITGPAUQJ-ZZASANORSA-N	2	2	488.588	6.408	50	30		JKEALP
C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2cccc(C(F)(F)F)c2)CC1	ZINC000020241386	555736819	/nfs/dbraw/zinc/73/68/19/555736819.db2.gz	BRZHXABSYVVAHO-LJHNXUKNSA-N	2	2	465.604	6.040	50	30		JKEALP
C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2cccc(C(F)(F)F)c2)CC1	ZINC000020241386	555736822	/nfs/dbraw/zinc/73/68/22/555736822.db2.gz	BRZHXABSYVVAHO-LJHNXUKNSA-N	2	2	465.604	6.040	50	30		JKEALP
C=CCC[C@@H](O)C[N@@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2	ZINC000035927984	518714106	/nfs/dbraw/zinc/71/41/06/518714106.db2.gz	JELPNHUNASJIPD-AREMUKBSSA-N	2	2	476.640	5.027	50	30		JKEALP
C=CCC[C@@H](O)C[N@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2	ZINC000035927984	518714110	/nfs/dbraw/zinc/71/41/10/518714110.db2.gz	JELPNHUNASJIPD-AREMUKBSSA-N	2	2	476.640	5.027	50	30		JKEALP
C=CCC[C@@H](O)C[NH+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[N@H+](Cc1ccc(F)cc1)CC2	ZINC000035927984	518714115	/nfs/dbraw/zinc/71/41/15/518714115.db2.gz	JELPNHUNASJIPD-AREMUKBSSA-N	2	2	476.640	5.027	50	30		JKEALP
C=CCC[C@@H](O)C[NH+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000035927984	518714120	/nfs/dbraw/zinc/71/41/20/518714120.db2.gz	JELPNHUNASJIPD-AREMUKBSSA-N	2	2	476.640	5.027	50	30		JKEALP
C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2ccc(Cl)cc2Cl)CC1	ZINC000020241376	555736917	/nfs/dbraw/zinc/73/69/17/555736917.db2.gz	BAABIFGTXNHFLE-GZGOLNNPSA-N	2	2	466.497	6.328	50	30		JKEALP
C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2ccc(Cl)cc2Cl)CC1	ZINC000020241376	555736922	/nfs/dbraw/zinc/73/69/22/555736922.db2.gz	BAABIFGTXNHFLE-GZGOLNNPSA-N	2	2	466.497	6.328	50	30		JKEALP
CCCCCCCOc1cccc(NC(=O)OC(C[NH+]2CCCCC2)C[NH+]2CCCCC2)c1	ZINC000095828101	534987735	/nfs/dbraw/zinc/98/77/35/534987735.db2.gz	VZPQKRWFMVMLSI-UHFFFAOYSA-N	2	2	459.675	5.925	50	30		JKEALP
CCCCCCCCCCCCCCCCCC[NH+]=C1C=CC(=CC=C2C=C[NH+](C)C=C2)C=C1	ZINC000334159058	570184452	/nfs/dbraw/zinc/18/44/52/570184452.db2.gz	STAVQBVBGKNPIW-UHFFFAOYSA-N	2	2	462.766	9.641	50	30		JKEALP
C[NH+]1CCN(/C=[NH+]/c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)CC1	ZINC000008984434	554848209	/nfs/dbraw/zinc/84/82/09/554848209.db2.gz	HNXGIBAVAOOHCN-AWSUPERCSA-N	2	2	459.597	5.649	50	30		JKEALP
CC[NH+](CC)CCNC1=[NH+]c2ccccc2N=C(c2ccc([C@H](OC)c3ccccc3)cc2)C1	ZINC000096580226	569741699	/nfs/dbraw/zinc/74/16/99/569741699.db2.gz	SEJWHQWWMMBQEE-GDLZYMKVSA-N	2	2	454.618	6.099	50	30		JKEALP
CCCCCCC[NH+](CCCCCCC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000100677600	569766614	/nfs/dbraw/zinc/76/66/14/569766614.db2.gz	HQZGFIVRCZMFHE-UHFFFAOYSA-N	2	2	496.139	9.080	50	30		JKEALP
CC[NH+](CC)CCNC1=[NH+]c2ccccc2N=C(c2ccc([C@@H](OC)c3ccccc3)cc2)C1	ZINC000096580228	569741665	/nfs/dbraw/zinc/74/16/65/569741665.db2.gz	SEJWHQWWMMBQEE-LJAQVGFWSA-N	2	2	454.618	6.099	50	30		JKEALP
C=CCC[C@H](O)C[N@@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2	ZINC000104925731	569847572	/nfs/dbraw/zinc/84/75/72/569847572.db2.gz	JELPNHUNASJIPD-SANMLTNESA-N	2	2	476.640	5.027	50	30		JKEALP
C=CCC[C@H](O)C[N@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2	ZINC000104925731	569847574	/nfs/dbraw/zinc/84/75/74/569847574.db2.gz	JELPNHUNASJIPD-SANMLTNESA-N	2	2	476.640	5.027	50	30		JKEALP
C=CCC[C@H](O)C[NH+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[N@H+](Cc1ccc(F)cc1)CC2	ZINC000104925731	569847575	/nfs/dbraw/zinc/84/75/75/569847575.db2.gz	JELPNHUNASJIPD-SANMLTNESA-N	2	2	476.640	5.027	50	30		JKEALP
C=CCC[C@H](O)C[NH+](CC)Cc1nn(-c2ccc(C)cc2)c2c1C[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000104925731	569847577	/nfs/dbraw/zinc/84/75/77/569847577.db2.gz	JELPNHUNASJIPD-SANMLTNESA-N	2	2	476.640	5.027	50	30		JKEALP