smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(Cl)c2O)C1	ZINC000862475217	678731305	/nfs/dbraw/zinc/73/13/05/678731305.db2.gz	CYHBJPREWDXVIA-AWEZNQCLSA-N	-1	2	299.754	1.810	10	10		CDCELM
O=C(CCCc1nn[n-]n1)NCc1cccc(Cl)c1O	ZINC001653567108	1171551758	/nfs/dbraw/zinc/55/17/58/1171551758.db2.gz	KPIAPSPFXRNKAE-UHFFFAOYSA-N	-1	2	295.730	1.198	10	10		CDCELM
Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c(Cl)c1	ZINC000840941859	727433360	/nfs/dbraw/zinc/43/33/60/727433360.db2.gz	OEWVVFOVRMDZGD-MNOVXSKESA-N	-1	2	285.771	1.936	10	10		CDCELM
Cc1cc(O)c(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(Cl)c1	ZINC000862535456	750085440	/nfs/dbraw/zinc/08/54/40/750085440.db2.gz	NSFHTKNZKWLLCA-JTQLQIEISA-N	-1	2	298.770	1.430	10	10		CDCELM
COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000125784415	374965855	/nfs/dbraw/zinc/96/58/55/374965855.db2.gz	DQFPGTLDANUNRR-NWDGAFQWSA-N	-1	2	299.754	1.808	10	10		CDCELM
CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)C(N)=O)c1O	ZINC000711161649	775052107	/nfs/dbraw/zinc/05/21/07/775052107.db2.gz	YUJGLXKBALGETQ-SSDOTTSWSA-N	-1	2	268.288	1.040	10	10		CDCELM
C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC(=O)N1C	ZINC000282764208	368025647	/nfs/dbraw/zinc/02/56/47/368025647.db2.gz	OZSABHGQPFIQQN-SECBINFHSA-N	-1	2	268.744	1.708	10	10		CDCELM
Cc1nnc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)[nH]1	ZINC000180238592	329218903	/nfs/dbraw/zinc/21/89/03/329218903.db2.gz	IZQCAGXRGWUETC-ZDUSSCGKSA-N	-1	2	292.314	1.531	10	10		CDCELM
COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000125784749	374964849	/nfs/dbraw/zinc/96/48/49/374964849.db2.gz	DQFPGTLDANUNRR-RYUDHWBXSA-N	-1	2	299.754	1.808	10	10		CDCELM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccs1	ZINC000042337473	725072907	/nfs/dbraw/zinc/07/29/07/725072907.db2.gz	WNIBTAVCQMGMBV-UHFFFAOYSA-N	-1	2	299.329	1.953	10	10		CDCELM
COCC1(O)C[NH+](Cc2cc(Cl)cc(C)c2O)C1	ZINC000297433562	200188282	/nfs/dbraw/zinc/18/82/82/200188282.db2.gz	FQCNKDITZZZWIW-UHFFFAOYSA-N	-1	2	271.744	1.547	10	10		CDCELM
C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC(=O)N1C	ZINC000282764210	368025912	/nfs/dbraw/zinc/02/59/12/368025912.db2.gz	OZSABHGQPFIQQN-VIFPVBQESA-N	-1	2	268.744	1.708	10	10		CDCELM
C[C@@H](O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1	ZINC000840979196	782852587	/nfs/dbraw/zinc/85/25/87/782852587.db2.gz	ZHIGTUYIYIMFBH-RNCFNFMXSA-N	-1	2	271.744	1.627	10	10		CDCELM
Cn1nccc1[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000839178042	905088784	/nfs/dbraw/zinc/08/87/84/905088784.db2.gz	AFZRIMMYSHBAGL-SNVBAGLBSA-N	-1	2	299.733	1.741	10	10		CDCELM
COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000125784246	374965041	/nfs/dbraw/zinc/96/50/41/374965041.db2.gz	DQFPGTLDANUNRR-VXGBXAGGSA-N	-1	2	299.754	1.808	10	10		CDCELM
CC[N@H+](CC(=O)OC)Cc1c(O)cccc1OC	ZINC000769317423	576345168	/nfs/dbraw/zinc/34/51/68/576345168.db2.gz	PIKJWXRNCNMRAW-UHFFFAOYSA-N	-1	2	253.298	1.396	10	10		CDCELM
CC[N@@H+](Cc1cn(C)nn1)Cc1cc(F)ccc1O	ZINC000781929733	847614644	/nfs/dbraw/zinc/61/46/44/847614644.db2.gz	LHSZUUNLTTWLMF-UHFFFAOYSA-N	-1	2	264.304	1.682	10	10		CDCELM
COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000125784565	374964373	/nfs/dbraw/zinc/96/43/73/374964373.db2.gz	DQFPGTLDANUNRR-NEPJUHHUSA-N	-1	2	299.754	1.808	10	10		CDCELM
Cn1nccc1[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000839178041	905088967	/nfs/dbraw/zinc/08/89/67/905088967.db2.gz	AFZRIMMYSHBAGL-JTQLQIEISA-N	-1	2	299.733	1.741	10	10		CDCELM
O=C([O-])c1ccc(NC(=O)c2cc(=O)[nH]c(O)c2)cc1O	ZINC000019518028	170824075	/nfs/dbraw/zinc/82/40/75/170824075.db2.gz	PSCUMRFDJAGMCB-UHFFFAOYSA-N	-1	2	290.231	1.149	10	10		CDCELM
CN(Cc1nnc[nH]1)Cc1cc(Cl)c(F)cc1O	ZINC000295310745	371208842	/nfs/dbraw/zinc/20/88/42/371208842.db2.gz	KPLFDMZFTVLKFJ-UHFFFAOYSA-N	-1	2	270.695	1.935	10	10		CDCELM
Nc1[nH+]ccc2c1CN(C(=O)c1cccc(O)c1O)CC2	ZINC001302093393	955995070	/nfs/dbraw/zinc/99/50/70/955995070.db2.gz	VBRFHPFOEIPNJQ-UHFFFAOYSA-N	-1	2	285.303	1.274	10	10		CDCELM
O=C1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CCN1	ZINC000295394240	371254019	/nfs/dbraw/zinc/25/40/19/371254019.db2.gz	QBOLUBIJEAHNMC-UHFFFAOYSA-N	-1	2	272.707	1.507	10	10		CDCELM
Cc1cc(O)c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(Cl)c1	ZINC000862535457	929423852	/nfs/dbraw/zinc/42/38/52/929423852.db2.gz	NSFHTKNZKWLLCA-SNVBAGLBSA-N	-1	2	298.770	1.430	10	10		CDCELM
CC(=O)c1cc(F)cc(C[NH+]2CC(O)(C3CC3)C2)c1O	ZINC000372691700	260004926	/nfs/dbraw/zinc/00/49/26/260004926.db2.gz	KHYYJLLJZUHGGL-UHFFFAOYSA-N	-1	2	279.311	1.691	10	10		CDCELM
CCN(OC)C(=O)C[NH2+]Cc1c(O)ccc(Cl)c1F	ZINC000842768587	792790131	/nfs/dbraw/zinc/79/01/31/792790131.db2.gz	BQHRZBALKDKYSU-UHFFFAOYSA-N	-1	2	290.722	1.684	10	10		CDCELM
Cc1nnc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)[nH]1	ZINC000180238606	329218908	/nfs/dbraw/zinc/21/89/08/329218908.db2.gz	IZQCAGXRGWUETC-CYBMUJFWSA-N	-1	2	292.314	1.531	10	10		CDCELM
CC[N@@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1O	ZINC000294588938	371072076	/nfs/dbraw/zinc/07/20/76/371072076.db2.gz	HHSFLLPSJVBMLQ-UHFFFAOYSA-N	-1	2	260.696	1.492	10	10		CDCELM
OC[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1	ZINC000839159120	936906765	/nfs/dbraw/zinc/90/67/65/936906765.db2.gz	MDWCYAJBHXADLF-ZDUSSCGKSA-N	-1	2	289.734	1.504	10	10		CDCELM
CC1(C)CC(=O)NCC[N@@H+]1Cc1cc(F)cc(F)c1O	ZINC000895398775	619637416	/nfs/dbraw/zinc/63/74/16/619637416.db2.gz	AZGBOLDRPWFFPT-UHFFFAOYSA-N	-1	2	284.306	1.771	10	10		CDCELM
Cn1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000753014996	577140363	/nfs/dbraw/zinc/14/03/63/577140363.db2.gz	AWLYMJOTGZRSLA-UHFFFAOYSA-N	-1	2	289.263	1.205	10	10		CDCELM
CCc1nnc(C[N@@H+](C)Cc2ccccc2O)n1C	ZINC000111235542	359197645	/nfs/dbraw/zinc/19/76/45/359197645.db2.gz	BOCAMXRSUYWFGD-UHFFFAOYSA-N	-1	2	260.341	1.715	10	10		CDCELM
Cn1cc[nH+]c1CCC(=O)NCc1c(O)cccc1F	ZINC001522162564	970404490	/nfs/dbraw/zinc/40/44/90/970404490.db2.gz	ZNTBUBAEDHMWNX-UHFFFAOYSA-N	-1	2	277.299	1.514	10	10		CDCELM
Cc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1O	ZINC000378440827	329050488	/nfs/dbraw/zinc/05/04/88/329050488.db2.gz	CPGBKSAVYIUDEB-LBPRGKRZSA-N	-1	2	296.754	1.990	10	10		CDCELM
COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O1	ZINC000862486962	814147137	/nfs/dbraw/zinc/14/71/37/814147137.db2.gz	LBLIWEINSMWRCQ-RNCFNFMXSA-N	-1	2	299.754	1.808	10	10		CDCELM
C[C@H]([NH2+]Cc1cccc(F)c1O)c1nnc2n1CCC2	ZINC000165017069	331305605	/nfs/dbraw/zinc/30/56/05/331305605.db2.gz	ZWDXDDARMVIOPF-VIFPVBQESA-N	-1	2	276.315	1.920	10	10		CDCELM
Cn1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2O)n1	ZINC000753016650	577140075	/nfs/dbraw/zinc/14/00/75/577140075.db2.gz	JAWMYMNRQSVRFI-UHFFFAOYSA-N	-1	2	289.263	1.205	10	10		CDCELM
O=C([O-])c1cc(NC(=O)c2cc(=O)[nH]c(O)c2)ccc1O	ZINC000019486197	170812494	/nfs/dbraw/zinc/81/24/94/170812494.db2.gz	AXDGLIBMVHKBQJ-UHFFFAOYSA-N	-1	2	290.231	1.149	10	10		CDCELM
O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(O)c1O	ZINC000790706660	1162167851	/nfs/dbraw/zinc/16/78/51/1162167851.db2.gz	GQJFGWPHPZLEDM-UHFFFAOYSA-N	-1	2	269.260	1.998	10	10		CDCELM
C[C@@H]([NH2+]Cc1cccc(F)c1O)c1nnc2n1CCC2	ZINC000165017193	331305644	/nfs/dbraw/zinc/30/56/44/331305644.db2.gz	ZWDXDDARMVIOPF-SECBINFHSA-N	-1	2	276.315	1.920	10	10		CDCELM