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)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216910305	241219614	/nfs/dbraw/zinc/21/96/14/241219614.db2.gz	GYIRVNLMJBKOSQ-LLVKDONJSA-N	0	3	336.388	1.771	40	70		EDIBHN
CN1CCC(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1	ZINC000217022519	536343603	/nfs/dbraw/zinc/34/36/03/536343603.db2.gz	LGPABUSVLWSEKK-UHFFFAOYSA-N	0	3	345.852	1.536	40	70		EDIBHN
C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216905510	241220303	/nfs/dbraw/zinc/22/03/03/241220303.db2.gz	PNJUTINFBMCAHD-CYBMUJFWSA-N	0	3	338.473	1.999	40	70		EDIBHN
COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216910126	536587815	/nfs/dbraw/zinc/58/78/15/536587815.db2.gz	NYIFDVFQIQPCAW-CQSZACIVSA-N	0	3	333.432	1.733	40	70		EDIBHN
Cc1cc(C)cc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1	ZINC000217033428	241233406	/nfs/dbraw/zinc/23/34/06/241233406.db2.gz	IYAHZFSLPGCHAB-QGZVFWFLSA-N	0	3	333.476	1.824	40	70		EDIBHN
CN1C[C@]2(C)CN(C(=S)NC(=O)c3ccccc3)C[C@](C)(C1)[C@@H]2O	ZINC000217837071	241277614	/nfs/dbraw/zinc/27/76/14/241277614.db2.gz	IBVLDUKDULBWAB-XGWQRUHWSA-N	0	3	347.484	1.336	40	70		EDIBHN
Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1	ZINC000217033377	241234299	/nfs/dbraw/zinc/23/42/99/241234299.db2.gz	IYAHZFSLPGCHAB-KRWDZBQOSA-N	0	3	333.476	1.824	40	70		EDIBHN
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cc(=O)n3ccccc3n2)C1	ZINC000217561139	241258910	/nfs/dbraw/zinc/25/89/10/241258910.db2.gz	FOTVPNZLEBNJSY-LSDHHAIUSA-N	0	3	348.406	1.476	40	70		EDIBHN
Cc1cc(C)c(C)c(OCC(=O)NCCCN2CCN(C)CC2)c1	ZINC000217012257	241229549	/nfs/dbraw/zinc/22/95/49/241229549.db2.gz	GCFKRYQJPIGVFE-UHFFFAOYSA-N	0	3	333.476	1.744	40	70		EDIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1	ZINC000216895995	536336660	/nfs/dbraw/zinc/33/66/60/536336660.db2.gz	QJLFSCWSZPRUBQ-UHFFFAOYSA-N	0	3	345.443	1.829	40	70		EDIBHN
COC(=O)c1cc(NC(=O)CC2CCN(C)CC2)cc(C(=O)OC)c1	ZINC000216897166	536529730	/nfs/dbraw/zinc/52/97/30/536529730.db2.gz	FZGQIPHGQQLNLI-UHFFFAOYSA-N	0	3	348.399	1.930	40	70		EDIBHN
Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1	ZINC000217015009	241231030	/nfs/dbraw/zinc/23/10/30/241231030.db2.gz	YNUVIPVULKQPFH-KRWDZBQOSA-N	0	3	333.476	1.824	40	70		EDIBHN
Cc1ccc(C)c(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1	ZINC000217015050	241231597	/nfs/dbraw/zinc/23/15/97/241231597.db2.gz	YNUVIPVULKQPFH-QGZVFWFLSA-N	0	3	333.476	1.824	40	70		EDIBHN
COc1ccccc1O[C@H](C)C(=O)NCCCN1CCN(C)CC1	ZINC000217031982	241233104	/nfs/dbraw/zinc/23/31/04/241233104.db2.gz	ZNTVNVYCFIMTTO-OAHLLOKOSA-N	0	3	335.448	1.216	40	70		EDIBHN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216910341	241219954	/nfs/dbraw/zinc/21/99/54/241219954.db2.gz	GYIRVNLMJBKOSQ-NSHDSACASA-N	0	3	336.388	1.771	40	70		EDIBHN
C[NH+]1CCC(CCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1	ZINC000216940076	241225662	/nfs/dbraw/zinc/22/56/62/241225662.db2.gz	GGPVLSVLWYBPBB-UHFFFAOYSA-N	0	3	339.461	1.520	40	70		EDIBHN
Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)cc1C	ZINC000217032404	241232189	/nfs/dbraw/zinc/23/21/89/241232189.db2.gz	QTHPUWRWNPDYDV-KRWDZBQOSA-N	0	3	333.476	1.824	40	70		EDIBHN
C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216905540	241220221	/nfs/dbraw/zinc/22/02/21/241220221.db2.gz	PNJUTINFBMCAHD-ZDUSSCGKSA-N	0	3	338.473	1.999	40	70		EDIBHN
CN1CCC(C(=O)NCc2ccccc2CN2CCCC2=O)CC1	ZINC000216924118	241223062	/nfs/dbraw/zinc/22/30/62/241223062.db2.gz	HIADHFPGIUBABT-UHFFFAOYSA-N	0	3	329.444	1.767	40	70		EDIBHN
COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216910156	536588129	/nfs/dbraw/zinc/58/81/29/536588129.db2.gz	NYIFDVFQIQPCAW-AWEZNQCLSA-N	0	3	333.432	1.733	40	70		EDIBHN
CN1CCC(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)CC1	ZINC000216844045	277030523	/nfs/dbraw/zinc/03/05/23/277030523.db2.gz	FCNJBCQGRUNLMS-UHFFFAOYSA-N	0	3	346.456	1.459	40	70		EDIBHN
CC[C@H](Oc1ccccc1OC)C(=O)NCCCN1CCN(C)CC1	ZINC000217033890	241234275	/nfs/dbraw/zinc/23/42/75/241234275.db2.gz	JMDIXHFTJGFSFJ-INIZCTEOSA-N	0	3	349.475	1.606	40	70		EDIBHN
COc1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1	ZINC000217031942	241233194	/nfs/dbraw/zinc/23/31/94/241233194.db2.gz	ZNTVNVYCFIMTTO-HNNXBMFYSA-N	0	3	335.448	1.216	40	70		EDIBHN
CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCN(C)CC1	ZINC000217034681	536045640	/nfs/dbraw/zinc/04/56/40/536045640.db2.gz	HIFWDWJNOBVTBT-SFHVURJKSA-N	0	3	333.476	1.906	40	70		EDIBHN
CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1	ZINC000216920807	536334901	/nfs/dbraw/zinc/33/49/01/536334901.db2.gz	KPYOYVUMWMVNCV-UHFFFAOYSA-N	0	3	331.416	1.439	40	70		EDIBHN