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](CO)[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000160416702	524810457	/nfs/dbraw/zinc/81/04/57/524810457.db2.gz	LPKWTOHRUUACSR-VHSXEESVSA-N	-1	3	300.380	0.805	10	70		DCIEHM
CCCn1c2ccccc2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000159467747	291234987	/nfs/dbraw/zinc/23/49/87/291234987.db2.gz	ZYFRNHZLMLHEAO-JTQLQIEISA-N	-1	3	315.333	0.983	10	70		DCIEHM
CC(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1	ZINC000159557210	519794390	/nfs/dbraw/zinc/79/43/90/519794390.db2.gz	DIAOSXJJHZIUKN-QWHCGFSZSA-N	-1	3	318.377	0.837	10	70		DCIEHM
O=C(CN1CC(=O)[N-]C1=O)NCCc1cc2ccccc2[nH]1	ZINC000159657537	545861126	/nfs/dbraw/zinc/86/11/26/545861126.db2.gz	GVGWRELHAYFWEJ-UHFFFAOYSA-N	-1	3	300.318	0.378	10	70		DCIEHM
COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000217806962	395840382	/nfs/dbraw/zinc/84/03/82/395840382.db2.gz	ABFWKTQLDXUCQT-GRYCIOLGSA-N	-1	3	322.427	0.518	10	70		DCIEHM
O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCc2ncnn2C1	ZINC000161234431	526684661	/nfs/dbraw/zinc/68/46/61/526684661.db2.gz	HTFGSGKAPQLZIQ-JTQLQIEISA-N	-1	3	305.313	0.937	10	70		DCIEHM
CC(C)(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Cc1ccccc1	ZINC000160910198	519243734	/nfs/dbraw/zinc/24/37/34/519243734.db2.gz	GTIZKBIPMVXWIG-LBPRGKRZSA-N	-1	3	303.362	0.970	10	70		DCIEHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(N)=O)C1	ZINC000160202065	291237728	/nfs/dbraw/zinc/23/77/28/291237728.db2.gz	JVWDRDCWVXFQIY-ZJUUUORDSA-N	-1	3	301.368	0.614	10	70		DCIEHM
CCc1ccccc1CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000159489439	396068704	/nfs/dbraw/zinc/06/87/04/396068704.db2.gz	XVGYEUWOMMWYFN-UHFFFAOYSA-N	-1	3	301.346	0.853	10	70		DCIEHM
COc1ccc(C(F)(F)C(=O)[N-][C@@H]2CCC(=O)NC2=O)cc1	ZINC000160699379	523794231	/nfs/dbraw/zinc/79/42/31/523794231.db2.gz	BCIOTIKJVDPNTM-SNVBAGLBSA-N	-1	3	312.272	0.708	10	70		DCIEHM
Cc1ccn(-c2ccccc2NC(=O)CN2CC(=O)[N-]C2=O)n1	ZINC000161293108	416011532	/nfs/dbraw/zinc/01/15/32/416011532.db2.gz	GUXVWZRRUPDRFT-UHFFFAOYSA-N	-1	3	313.317	0.671	10	70		DCIEHM
CN(C)Cc1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1F	ZINC000159634355	521887899	/nfs/dbraw/zinc/88/78/99/521887899.db2.gz	YWJIPYJOXJILDD-LBPRGKRZSA-N	-1	3	322.340	0.102	10	70		DCIEHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](c1ccco1)N1CCCC1	ZINC000160397452	527139344	/nfs/dbraw/zinc/13/93/44/527139344.db2.gz	LIGLLJQHZQYIMI-QWRGUYRKSA-N	-1	3	320.349	0.131	10	70		DCIEHM
C[C@H](CO)[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000160417041	524572261	/nfs/dbraw/zinc/57/22/61/524572261.db2.gz	LPKWTOHRUUACSR-ZJUUUORDSA-N	-1	3	300.380	0.805	10	70		DCIEHM
C[C@@H](CO)[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000160416947	524814783	/nfs/dbraw/zinc/81/47/83/524814783.db2.gz	LPKWTOHRUUACSR-UWVGGRQHSA-N	-1	3	300.380	0.805	10	70		DCIEHM
C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nc(C2CC2)n[n-]1	ZINC000160363684	291238328	/nfs/dbraw/zinc/23/83/28/291238328.db2.gz	PMHAOSAMQFJRKH-ZETCQYMHSA-N	-1	3	307.397	0.137	10	70		DCIEHM
C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nnc(C2CC2)[n-]1	ZINC000160363684	291238329	/nfs/dbraw/zinc/23/83/29/291238329.db2.gz	PMHAOSAMQFJRKH-ZETCQYMHSA-N	-1	3	307.397	0.137	10	70		DCIEHM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1(CO)CC1	ZINC000160307986	291238243	/nfs/dbraw/zinc/23/82/43/291238243.db2.gz	KTEMPEUNGAIOBB-UHFFFAOYSA-N	-1	3	324.811	0.321	10	70		DCIEHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000160201957	291237790	/nfs/dbraw/zinc/23/77/90/291237790.db2.gz	JVWDRDCWVXFQIY-NXEZZACHSA-N	-1	3	301.368	0.614	10	70		DCIEHM
CC(C)(C)Cc1cc(NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)n[nH]1	ZINC000159712326	396070442	/nfs/dbraw/zinc/07/04/42/396070442.db2.gz	FWDMEZHPOQNXBF-UHFFFAOYSA-N	-1	3	319.365	0.925	10	70		DCIEHM
CN(C)c1cccc(CN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1	ZINC000160613061	522266250	/nfs/dbraw/zinc/26/62/50/522266250.db2.gz	VBPQEXNFKZXCKH-LBPRGKRZSA-N	-1	3	304.350	0.309	10	70		DCIEHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(C)(C)CO	ZINC000160357207	396074558	/nfs/dbraw/zinc/07/45/58/396074558.db2.gz	IARRFXHGJUEKHQ-UHFFFAOYSA-N	-1	3	319.379	0.980	10	70		DCIEHM
O=C(CNC(=O)c1cccnc1)Nc1nnc(-c2ccccn2)[n-]1	ZINC000160882966	416008707	/nfs/dbraw/zinc/00/87/07/416008707.db2.gz	PDHIHLPJSZRFCZ-UHFFFAOYSA-N	-1	3	323.316	0.630	10	70		DCIEHM
O=C(CNC(=O)c1cccnc1)Nc1nc(-c2ccccn2)n[n-]1	ZINC000160882966	416008712	/nfs/dbraw/zinc/00/87/12/416008712.db2.gz	PDHIHLPJSZRFCZ-UHFFFAOYSA-N	-1	3	323.316	0.630	10	70		DCIEHM
O=C(CNC(=O)c1cccnc1)Nc1n[n-]c(-c2ccccn2)n1	ZINC000160882966	416008715	/nfs/dbraw/zinc/00/87/15/416008715.db2.gz	PDHIHLPJSZRFCZ-UHFFFAOYSA-N	-1	3	323.316	0.630	10	70		DCIEHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1	ZINC000160201838	291237798	/nfs/dbraw/zinc/23/77/98/291237798.db2.gz	JVWDRDCWVXFQIY-UWVGGRQHSA-N	-1	3	301.368	0.614	10	70		DCIEHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H](c1ccco1)N1CCCC1	ZINC000160397318	527139979	/nfs/dbraw/zinc/13/99/79/527139979.db2.gz	LIGLLJQHZQYIMI-WDEREUQCSA-N	-1	3	320.349	0.131	10	70		DCIEHM
Cc1cc(C)cc(CCNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)c1	ZINC000159570034	158353133	/nfs/dbraw/zinc/35/31/33/158353133.db2.gz	OWXTXDIASMHPKV-UHFFFAOYSA-N	-1	3	315.373	0.950	10	70		DCIEHM
CC(C)(C)c1nc(CCNC(=O)CN2CC(=O)[N-]C2=O)cs1	ZINC000160694330	519094968	/nfs/dbraw/zinc/09/49/68/519094968.db2.gz	XDUFBXXVDNEQOD-UHFFFAOYSA-N	-1	3	324.406	0.651	10	70		DCIEHM
CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1	ZINC000159557347	519815410	/nfs/dbraw/zinc/81/54/10/519815410.db2.gz	DIAOSXJJHZIUKN-STQMWFEESA-N	-1	3	318.377	0.837	10	70		DCIEHM
O=C(CN1CC(=O)[N-]C1=O)N1CC=C(c2ccccc2F)CC1	ZINC000159584960	396069618	/nfs/dbraw/zinc/06/96/18/396069618.db2.gz	KRLQYJGKRZVUOY-UHFFFAOYSA-N	-1	3	317.320	0.993	10	70		DCIEHM
Cc1cccc(C)c1CCNC(=O)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000160956119	416011673	/nfs/dbraw/zinc/01/16/73/416011673.db2.gz	RRGOLRBQMIIBRC-UHFFFAOYSA-N	-1	3	315.373	0.950	10	70		DCIEHM
C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H](C)CO	ZINC000160416836	525331146	/nfs/dbraw/zinc/33/11/46/525331146.db2.gz	LPKWTOHRUUACSR-NXEZZACHSA-N	-1	3	300.380	0.805	10	70		DCIEHM
O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCc2ncnn2C1	ZINC000161234299	526685293	/nfs/dbraw/zinc/68/52/93/526685293.db2.gz	HTFGSGKAPQLZIQ-SNVBAGLBSA-N	-1	3	305.313	0.937	10	70		DCIEHM
C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nc(C2CC2)n[n-]1	ZINC000160363825	291238119	/nfs/dbraw/zinc/23/81/19/291238119.db2.gz	PMHAOSAMQFJRKH-SSDOTTSWSA-N	-1	3	307.397	0.137	10	70		DCIEHM
C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nnc(C2CC2)[n-]1	ZINC000160363825	291238122	/nfs/dbraw/zinc/23/81/22/291238122.db2.gz	PMHAOSAMQFJRKH-SSDOTTSWSA-N	-1	3	307.397	0.137	10	70		DCIEHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1cc2ccccc2[nH]1	ZINC000161446371	291241810	/nfs/dbraw/zinc/24/18/10/291241810.db2.gz	UULIMEBZHPNKRQ-LBPRGKRZSA-N	-1	3	300.318	0.425	10	70		DCIEHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(N)=O)C1	ZINC000160201700	291237586	/nfs/dbraw/zinc/23/75/86/291237586.db2.gz	JVWDRDCWVXFQIY-VHSXEESVSA-N	-1	3	301.368	0.614	10	70		DCIEHM
COc1ccc(C(F)(F)C(=O)[N-][C@H]2CCC(=O)NC2=O)cc1	ZINC000160699477	523794857	/nfs/dbraw/zinc/79/48/57/523794857.db2.gz	BCIOTIKJVDPNTM-JTQLQIEISA-N	-1	3	312.272	0.708	10	70		DCIEHM