smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1O	ZINC000170789274	332636440	/nfs/dbraw/zinc/63/64/40/332636440.db2.gz	KXPHTXDUVNGMIY-YJYMSZOUSA-N	1	1	311.356	4.565	20	10		DJCDMO
Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1	ZINC000185234919	337203518	/nfs/dbraw/zinc/20/35/18/337203518.db2.gz	RRIZISPJOIKGKC-RDTXWAMCSA-N	1	1	324.449	4.597	20	10		DJCDMO
C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1O	ZINC000185215697	333205594	/nfs/dbraw/zinc/20/55/94/333205594.db2.gz	VNPKCQILIIRZRR-QFYYESIMSA-N	1	1	305.780	4.523	20	10		DJCDMO
Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1	ZINC000185234884	337203644	/nfs/dbraw/zinc/20/36/44/337203644.db2.gz	RRIZISPJOIKGKC-KDOFPFPSSA-N	1	1	324.449	4.597	20	10		DJCDMO
C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1cccnc1	ZINC000192609182	525528977	/nfs/dbraw/zinc/52/89/77/525528977.db2.gz	ZVGXLNLJLIPFIS-UWVGGRQHSA-N	1	1	311.212	4.506	20	10		DJCDMO
CCN(C)c1ccc([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1	ZINC000128559635	332500004	/nfs/dbraw/zinc/50/00/04/332500004.db2.gz	CGCAHHKIQKQEPI-AWEZNQCLSA-N	1	1	317.502	4.573	20	10		DJCDMO
Cc1ccc([C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235424	337203646	/nfs/dbraw/zinc/20/36/46/337203646.db2.gz	FMVGXCRXQDFHSL-RDTXWAMCSA-N	1	1	324.449	4.597	20	10		DJCDMO
CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(F)cc1O	ZINC000527970697	337781337	/nfs/dbraw/zinc/78/13/37/337781337.db2.gz	WZHCIVFTXGXCQK-VQIMIIECSA-N	1	1	314.404	4.508	20	10		DJCDMO
CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)cc1O	ZINC000286255891	131226372	/nfs/dbraw/zinc/22/63/72/131226372.db2.gz	UXUJFVPYDUNHRZ-OAHLLOKOSA-N	1	1	309.331	4.710	20	10		DJCDMO
CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)cc1O	ZINC000286255884	535916226	/nfs/dbraw/zinc/91/62/26/535916226.db2.gz	UXUJFVPYDUNHRZ-HNNXBMFYSA-N	1	1	309.331	4.710	20	10		DJCDMO
Cc1ccc([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235444	337203523	/nfs/dbraw/zinc/20/35/23/337203523.db2.gz	FMVGXCRXQDFHSL-KBXCAEBGSA-N	1	1	324.449	4.597	20	10		DJCDMO
CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(F)cc1O	ZINC000286217707	535806372	/nfs/dbraw/zinc/80/63/72/535806372.db2.gz	SGXCLKKCQJXCBS-CYBMUJFWSA-N	1	1	322.449	4.526	20	10		DJCDMO
CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)cs1	ZINC000162305208	522454512	/nfs/dbraw/zinc/45/45/12/522454512.db2.gz	UPVPUQJFBXXODV-KGLIPLIRSA-N	1	1	317.502	4.573	20	10		DJCDMO
CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)cs1	ZINC000162304843	522421893	/nfs/dbraw/zinc/42/18/93/522421893.db2.gz	UPVPUQJFBXXODV-UONOGXRCSA-N	1	1	317.502	4.573	20	10		DJCDMO
CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)cs1	ZINC000162304940	522455272	/nfs/dbraw/zinc/45/52/72/522455272.db2.gz	UPVPUQJFBXXODV-KBPBESRZSA-N	1	1	317.502	4.573	20	10		DJCDMO
CCC(CC)c1cc(C[NH2+][C@H](CC)c2ccc(F)cc2O)on1	ZINC000286071467	131217863	/nfs/dbraw/zinc/21/78/63/131217863.db2.gz	LXQANAVKIDQASS-MRXNPFEDSA-N	1	1	320.408	4.664	20	10		DJCDMO
CCC(CC)c1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)on1	ZINC000286071465	131218263	/nfs/dbraw/zinc/21/82/63/131218263.db2.gz	LXQANAVKIDQASS-INIZCTEOSA-N	1	1	320.408	4.664	20	10		DJCDMO
CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1	ZINC000128559365	332500056	/nfs/dbraw/zinc/50/00/56/332500056.db2.gz	CGCAHHKIQKQEPI-CQSZACIVSA-N	1	1	317.502	4.573	20	10		DJCDMO
CC[C@@H]([NH2+][C@@H](c1ncccc1C)C(C)C)c1ccc(F)cc1O	ZINC000286202856	334151752	/nfs/dbraw/zinc/15/17/52/334151752.db2.gz	RTKOWXLPJZWLDG-SJLPKXTDSA-N	1	1	316.420	4.673	20	10		DJCDMO
Cc1ccc([C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235389	337203527	/nfs/dbraw/zinc/20/35/27/337203527.db2.gz	FMVGXCRXQDFHSL-KDOFPFPSSA-N	1	1	324.449	4.597	20	10		DJCDMO
Cc1ccc([C@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235408	337203533	/nfs/dbraw/zinc/20/35/33/337203533.db2.gz	FMVGXCRXQDFHSL-KSSFIOAISA-N	1	1	324.449	4.597	20	10		DJCDMO
Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1	ZINC000185234900	337203655	/nfs/dbraw/zinc/20/36/55/337203655.db2.gz	RRIZISPJOIKGKC-KSSFIOAISA-N	1	1	324.449	4.597	20	10		DJCDMO
Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(F)cccc1Cl	ZINC000475196410	339440820	/nfs/dbraw/zinc/44/08/20/339440820.db2.gz	QDJVDTCQEQPBJY-UHFFFAOYSA-N	1	1	316.807	4.569	20	10		DJCDMO
CC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(F)cc1O	ZINC000286217714	131225069	/nfs/dbraw/zinc/22/50/69/131225069.db2.gz	SGXCLKKCQJXCBS-ZDUSSCGKSA-N	1	1	322.449	4.526	20	10		DJCDMO
Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1	ZINC000185234938	337203620	/nfs/dbraw/zinc/20/36/20/337203620.db2.gz	RRIZISPJOIKGKC-KBXCAEBGSA-N	1	1	324.449	4.597	20	10		DJCDMO
CC[C@H]([NH2+][C@@H](c1ncccc1C)C(C)C)c1ccc(F)cc1O	ZINC000286202851	334151779	/nfs/dbraw/zinc/15/17/79/334151779.db2.gz	RTKOWXLPJZWLDG-FUHWJXTLSA-N	1	1	316.420	4.673	20	10		DJCDMO
C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1O	ZINC000170789271	332636514	/nfs/dbraw/zinc/63/65/14/332636514.db2.gz	KXPHTXDUVNGMIY-DJJJIMSYSA-N	1	1	311.356	4.565	20	10		DJCDMO
CC[C@@H]([NH2+][C@H](c1ncccc1C)C(C)C)c1ccc(F)cc1O	ZINC000286202844	334151694	/nfs/dbraw/zinc/15/16/94/334151694.db2.gz	RTKOWXLPJZWLDG-AEFFLSMTSA-N	1	1	316.420	4.673	20	10		DJCDMO
CC[C@H]([NH2+][C@H](c1ncccc1C)C(C)C)c1ccc(F)cc1O	ZINC000286202862	334151817	/nfs/dbraw/zinc/15/18/17/334151817.db2.gz	RTKOWXLPJZWLDG-WMZOPIPTSA-N	1	1	316.420	4.673	20	10		DJCDMO
CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(F)cc1O	ZINC000527970688	337781439	/nfs/dbraw/zinc/78/14/39/337781439.db2.gz	WZHCIVFTXGXCQK-APWZRJJASA-N	1	1	314.404	4.508	20	10		DJCDMO
CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)CC)cc2)cs1	ZINC000162305061	522422376	/nfs/dbraw/zinc/42/23/76/522422376.db2.gz	UPVPUQJFBXXODV-ZIAGYGMSSA-N	1	1	317.502	4.573	20	10		DJCDMO