smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cnccn1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217618132	241263486	/nfs/dbraw/zinc/26/34/86/241263486.db2.gz	VFKNJRLTPXMSHJ-UHFFFAOYSA-N	0	0	326.360	0.302	40	70		ECIBRN
CN(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216795602	241213545	/nfs/dbraw/zinc/21/35/45/241213545.db2.gz	ITVJWMIBGUVGSN-UHFFFAOYSA-N	0	0	326.422	0.716	40	70		ECIBRN
CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216782967	535438193	/nfs/dbraw/zinc/43/81/93/535438193.db2.gz	YDEQWKXTTMYPDZ-UHFFFAOYSA-N	0	0	341.433	0.381	40	70		ECIBRN
Cc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216855987	241214257	/nfs/dbraw/zinc/21/42/57/241214257.db2.gz	ZEWYNGIFBBOZAY-UHFFFAOYSA-N	0	0	337.445	0.823	40	70		ECIBRN
Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216853666	301493075	/nfs/dbraw/zinc/49/30/75/301493075.db2.gz	UISGVMCEEXQNOT-UHFFFAOYSA-N	0	0	325.434	0.633	40	70		ECIBRN
O=C1[C@H]2[C@@H](C(=O)N1C1CC1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(C3CC3)C(=O)[C@H]21	ZINC000217490559	545920707	/nfs/dbraw/zinc/92/07/07/545920707.db2.gz	ZMSGHQLQIRFNQR-WHCZJHEKSA-N	0	0	326.352	0.329	40	70		ECIBRN
Cc1cc(C(=O)N2CCc3cnc(N4CCOCC4)nc3C2)no1	ZINC000217618230	280339108	/nfs/dbraw/zinc/33/91/08/280339108.db2.gz	PKCREQOJPVQADH-UHFFFAOYSA-N	0	0	329.360	0.808	40	70		ECIBRN
CN(Cc1ccc(/C=C/C(=O)N2CCN(C)CC2)o1)S(C)(=O)=O	ZINC000216781911	536463062	/nfs/dbraw/zinc/46/30/62/536463062.db2.gz	STNLTAOYSIXHHP-VOTSOKGWSA-N	0	0	341.433	0.458	40	70		ECIBRN
Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)s1	ZINC000216722374	568418328	/nfs/dbraw/zinc/41/83/28/568418328.db2.gz	JMURIHZLFVURMY-CHWSQXEVSA-N	0	0	325.434	0.206	40	70		ECIBRN
O=C(c1ccncc1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217617901	241263199	/nfs/dbraw/zinc/26/31/99/241263199.db2.gz	YKCZADHCZRVVIS-UHFFFAOYSA-N	0	0	325.372	0.907	40	70		ECIBRN
CCS(=O)(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC	ZINC000216844507	241215834	/nfs/dbraw/zinc/21/58/34/241215834.db2.gz	WUMRLFQNRLEYRZ-UHFFFAOYSA-N	0	0	341.433	0.844	40	70		ECIBRN
O=C1[C@H]2[C@H](C(=O)N1C1CC1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(C3CC3)C(=O)[C@@H]21	ZINC000217490648	296437833	/nfs/dbraw/zinc/43/78/33/296437833.db2.gz	ZMSGHQLQIRFNQR-LEZGYBIHSA-N	0	0	326.352	0.329	40	70		ECIBRN
O=C1[C@H]2[C@@H](C(=O)N1C1CC1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(C3CC3)C(=O)[C@@H]21	ZINC000217490475	304719194	/nfs/dbraw/zinc/71/91/94/304719194.db2.gz	ZMSGHQLQIRFNQR-XUYNTYLMSA-N	0	0	326.352	0.329	40	70		ECIBRN
CCNC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)NC)c1	ZINC000216789193	564033898	/nfs/dbraw/zinc/03/38/98/564033898.db2.gz	KDNIAPLYXAOMEO-UHFFFAOYSA-N	0	0	340.449	0.096	40	70		ECIBRN
CCCCCS(=O)(=O)[C@@]12[C@H](O)CS(=O)(=O)[C@@H]1[C@@H]1C=C[C@H]2C1	ZINC000217617040	282690142	/nfs/dbraw/zinc/69/01/42/282690142.db2.gz	YFJIVNGJHLTYHH-ITGHMWBKSA-N	0	0	334.459	0.694	40	70		ECIBRN
O=C(c1ccccn1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217618023	280214681	/nfs/dbraw/zinc/21/46/81/280214681.db2.gz	XLYRAPSPJINHSJ-UHFFFAOYSA-N	0	0	325.372	0.907	40	70		ECIBRN
CN1CCN(c2cc(Nc3ccc(S(N)(=O)=O)cc3)ncn2)CC1	ZINC000216847951	241215853	/nfs/dbraw/zinc/21/58/53/241215853.db2.gz	CKXIHMHMEZGOOH-UHFFFAOYSA-N	0	0	348.432	0.619	40	70		ECIBRN
CCCCCS(=O)(=O)[C@]12[C@H]3C=C[C@H](C3)[C@H]1S(=O)(=O)C[C@@H]2O	ZINC000217616960	545921139	/nfs/dbraw/zinc/92/11/39/545921139.db2.gz	YFJIVNGJHLTYHH-HTOAHKCRSA-N	0	0	334.459	0.694	40	70		ECIBRN
CCNS(=O)(=O)c1cc(C(=O)NC)ccc1N1CCN(C)CC1	ZINC000216792426	564033921	/nfs/dbraw/zinc/03/39/21/564033921.db2.gz	QBTSIUACOMKQLH-UHFFFAOYSA-N	0	0	340.449	0.096	40	70		ECIBRN
CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216853320	241214385	/nfs/dbraw/zinc/21/43/85/241214385.db2.gz	FREQFZZZPXUEGB-UHFFFAOYSA-N	0	0	325.434	0.681	40	70		ECIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CC1	ZINC000216862247	241215398	/nfs/dbraw/zinc/21/53/98/241215398.db2.gz	WNBZQDOUEBAQPQ-UHFFFAOYSA-N	0	0	337.445	0.823	40	70		ECIBRN