smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1C	ZINC000216827227	568468005	/nfs/dbraw/zinc/46/80/05/568468005.db2.gz	CCHRREUOITVCIH-KRWDZBQOSA-N	0	3	423.579	2.005	40	70		HEIBHN
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)c(C)c1	ZINC000216825713	568468011	/nfs/dbraw/zinc/46/80/11/568468011.db2.gz	DXFWPEUHARXDSX-GOSISDBHSA-N	0	3	407.580	2.223	40	70		HEIBHN
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1	ZINC000216831271	568468141	/nfs/dbraw/zinc/46/81/41/568468141.db2.gz	XEGYVBJIRFVEIS-UHFFFAOYSA-N	0	3	403.504	2.077	40	70		HEIBHN
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)c(C)c1	ZINC000216825746	568467975	/nfs/dbraw/zinc/46/79/75/568467975.db2.gz	DXFWPEUHARXDSX-SFHVURJKSA-N	0	3	407.580	2.223	40	70		HEIBHN
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1	ZINC000216818641	568468009	/nfs/dbraw/zinc/46/80/09/568468009.db2.gz	WOPUFQBLZMQXCL-OAQYLSRUSA-N	0	3	415.559	2.095	40	70		HEIBHN
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(Br)cc2)C1	ZINC000217438507	568471983	/nfs/dbraw/zinc/47/19/83/568471983.db2.gz	WFXJDXAYENAAMX-ZMSDIMECSA-N	0	3	419.319	2.470	40	70		HEIBHN
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000216831565	568468147	/nfs/dbraw/zinc/46/81/47/568468147.db2.gz	ZPERYYAKUNWZIL-UHFFFAOYSA-N	0	3	417.531	2.385	40	70		HEIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1	ZINC000216797535	568467813	/nfs/dbraw/zinc/46/78/13/568467813.db2.gz	FCBYPWREKZAPIA-UHFFFAOYSA-N	0	3	415.559	2.396	40	70		HEIBHN
CN1CCC(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000216799991	568467855	/nfs/dbraw/zinc/46/78/55/568467855.db2.gz	HCDOTUAQINDMCQ-UHFFFAOYSA-N	0	3	411.543	2.360	40	70		HEIBHN
CN1CCC(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216797161	568467747	/nfs/dbraw/zinc/46/77/47/568467747.db2.gz	CEASKCSGYAZDII-UHFFFAOYSA-N	0	3	415.559	2.130	40	70		HEIBHN
CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1	ZINC000216825361	568467880	/nfs/dbraw/zinc/46/78/80/568467880.db2.gz	GQKPCQJNRSSGCC-IBGZPJMESA-N	0	3	415.559	2.451	40	70		HEIBHN
CN1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000216799815	568467757	/nfs/dbraw/zinc/46/77/57/568467757.db2.gz	YXQIIEIWIKRUJW-UHFFFAOYSA-N	0	3	419.522	2.227	40	70		HEIBHN
CN1CCC(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216804426	568467846	/nfs/dbraw/zinc/46/78/46/568467846.db2.gz	DVXIZIDOPPMJGU-UHFFFAOYSA-N	0	3	419.522	2.227	40	70		HEIBHN
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1	ZINC000216818606	568467876	/nfs/dbraw/zinc/46/78/76/568467876.db2.gz	WOPUFQBLZMQXCL-NRFANRHFSA-N	0	3	415.559	2.095	40	70		HEIBHN
CN1CCN(CCCNC(=O)COc2ccc(Br)cc2Cl)CC1	ZINC000217011568	568470172	/nfs/dbraw/zinc/47/01/72/568470172.db2.gz	HWXPCKBQIQCLDP-UHFFFAOYSA-N	0	3	404.736	2.235	40	70		HEIBHN
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1C	ZINC000216826640	568467983	/nfs/dbraw/zinc/46/79/83/568467983.db2.gz	DOOSVGCVJBSKEX-UHFFFAOYSA-N	0	3	423.579	2.005	40	70		HEIBHN
Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CCN(C)CC1	ZINC000216835106	568468116	/nfs/dbraw/zinc/46/81/16/568468116.db2.gz	GEEWBZLBDQOUAM-UHFFFAOYSA-N	0	3	423.579	2.195	40	70		HEIBHN
CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1	ZINC000216825330	568467952	/nfs/dbraw/zinc/46/79/52/568467952.db2.gz	GQKPCQJNRSSGCC-LJQANCHMSA-N	0	3	415.559	2.451	40	70		HEIBHN
CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000216812425	568467817	/nfs/dbraw/zinc/46/78/17/568467817.db2.gz	NNMMEJJHSAOHLV-UHFFFAOYSA-N	0	3	408.351	2.214	40	70		HEIBHN
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1	ZINC000216832913	568468076	/nfs/dbraw/zinc/46/80/76/568468076.db2.gz	PCWSZWVWWKUEAF-UHFFFAOYSA-N	0	3	421.494	2.216	40	70		HEIBHN
CN1CCC(Oc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1	ZINC000216940119	568469476	/nfs/dbraw/zinc/46/94/76/568469476.db2.gz	VOIDPIXQHZAZSM-UHFFFAOYSA-N	0	3	417.531	2.461	40	70		HEIBHN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1C	ZINC000216827192	568468003	/nfs/dbraw/zinc/46/80/03/568468003.db2.gz	CCHRREUOITVCIH-QGZVFWFLSA-N	0	3	423.579	2.005	40	70		HEIBHN
CN1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216796979	568467785	/nfs/dbraw/zinc/46/77/85/568467785.db2.gz	JKCWFFALWLSIIN-UHFFFAOYSA-N	0	3	401.532	2.088	40	70		HEIBHN
CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1	ZINC000216839739	568468158	/nfs/dbraw/zinc/46/81/58/568468158.db2.gz	ZJXWEMBAKWYKKE-UHFFFAOYSA-N	0	3	415.559	2.308	40	70		HEIBHN
CN1CCC(Oc2ccc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1	ZINC000216943977	568469617	/nfs/dbraw/zinc/46/96/17/568469617.db2.gz	SSCYBFVOGILPIR-UHFFFAOYSA-N	0	3	417.531	2.461	40	70		HEIBHN
CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1	ZINC000216839241	568468059	/nfs/dbraw/zinc/46/80/59/568468059.db2.gz	VMJCOEXAPFAPPS-UHFFFAOYSA-N	0	3	407.580	2.441	40	70		HEIBHN
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)c1	ZINC000216831854	568468069	/nfs/dbraw/zinc/46/80/69/568468069.db2.gz	ACMBKXMBYVBNFL-UHFFFAOYSA-N	0	3	417.531	2.385	40	70		HEIBHN
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)cc1	ZINC000216831126	568468088	/nfs/dbraw/zinc/46/80/88/568468088.db2.gz	LHUSUPHEVQTEPB-UHFFFAOYSA-N	0	3	417.531	2.385	40	70		HEIBHN
CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)c(Cl)c1	ZINC000216838683	568468133	/nfs/dbraw/zinc/46/81/33/568468133.db2.gz	HANFCZKSUBRFDZ-UHFFFAOYSA-N	0	3	417.959	2.008	40	70		HEIBHN
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC1CC[NH+](C)CC1	ZINC000216836417	568468144	/nfs/dbraw/zinc/46/81/44/568468144.db2.gz	VGZDJXOKDVDZOE-UHFFFAOYSA-N	0	3	417.531	2.385	40	70		HEIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1	ZINC000216941587	568469615	/nfs/dbraw/zinc/46/96/15/568469615.db2.gz	QEBZSQBLSZVZMR-UHFFFAOYSA-N	0	3	418.515	2.409	40	70		HEIBHN