smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CCOCC1	ZINC000019995744	202028510	/nfs/dbraw/zinc/02/85/10/202028510.db2.gz	AVYSXCNZRVFOGQ-RAXLEYEMSA-N	-1	0	348.359	-0.336	50	10		EBCARM
COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000004704576	376294430	/nfs/dbraw/zinc/29/44/30/376294430.db2.gz	ZHQCNPQFOHPEBH-UHFFFAOYSA-N	-1	0	334.284	-0.004	50	10		EBCARM
COC(=O)c1ccc(C(=O)OC)c(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000006579732	375909970	/nfs/dbraw/zinc/90/99/70/375909970.db2.gz	WNCRHAAFWDQIGH-UHFFFAOYSA-N	-1	0	347.283	-0.078	50	10		EBCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000102716894	419180187	/nfs/dbraw/zinc/18/01/87/419180187.db2.gz	SWBNNASHQGCTBC-WUXMJOGZSA-N	-1	0	349.343	-0.706	50	10		EBCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NN2CCN(C)CC2)cc1	ZINC000034926473	213001243	/nfs/dbraw/zinc/00/12/43/213001243.db2.gz	XMYQQCOREXDLKD-UHFFFAOYSA-N	-1	0	336.392	-0.135	50	10		EBCARM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=S)NC1=O	ZINC000020572841	212148908	/nfs/dbraw/zinc/14/89/08/212148908.db2.gz	VDLBFWYYBFUNEN-JTQLQIEISA-N	-1	0	335.341	-0.608	50	10		EBCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(N)=O	ZINC000004627708	210234981	/nfs/dbraw/zinc/23/49/81/210234981.db2.gz	CPARBECLRCQVEP-UHFFFAOYSA-N	-1	0	333.300	-0.301	50	10		EBCARM
CCN1C(=O)C(=CN[C@H](CCSC)C(=O)[O-])C(=O)NC1=S	ZINC000020462406	212133660	/nfs/dbraw/zinc/13/36/60/212133660.db2.gz	CTEDPQGFVGRVMW-HYDMIIDASA-N	-1	0	331.419	-0.071	50	10		EBCARM
O=C([O-])CNC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000009061275	211035541	/nfs/dbraw/zinc/03/55/41/211035541.db2.gz	HFDXWENDGIRXKT-UHFFFAOYSA-N	-1	0	348.340	-0.672	50	10		EBCARM
CC(CO)(CO)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000005686038	375906420	/nfs/dbraw/zinc/90/64/20/375906420.db2.gz	ULRXHLUNIZXFAI-KPKJPENVSA-N	-1	0	333.344	-0.518	50	10		EBCARM
CCN1C(=O)[N-]C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C1=O	ZINC000006574361	375910501	/nfs/dbraw/zinc/91/05/01/375910501.db2.gz	XVOAHHDAXDKHCS-JXMROGBWSA-N	-1	0	338.345	-0.272	50	10		EBCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNNCCO)C2=O)cc1	ZINC000006554309	381866741	/nfs/dbraw/zinc/86/67/41/381866741.db2.gz	ALXMMDUNWRRXAP-FMIVXFBMSA-N	-1	0	334.332	-0.362	50	10		EBCARM
COC(=O)[C@H](Cc1ccc(O)cc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000020573726	212148966	/nfs/dbraw/zinc/14/89/66/212148966.db2.gz	RWZQRPPTIAYHKM-NSHDSACASA-N	-1	0	333.300	-0.684	50	10		EBCARM
COC(=O)[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000020573524	212149200	/nfs/dbraw/zinc/14/92/00/212149200.db2.gz	XJXZFDUERCLKEQ-NXIHDVOMSA-N	-1	0	347.327	-0.342	50	10		EBCARM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)NC(=S)NC1=O	ZINC000020572839	212148666	/nfs/dbraw/zinc/14/86/66/212148666.db2.gz	VDLBFWYYBFUNEN-SNVBAGLBSA-N	-1	0	335.341	-0.608	50	10		EBCARM
CC(CO)(CO)NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000005686040	375905751	/nfs/dbraw/zinc/90/57/51/375905751.db2.gz	FLIFDDXAGJFNJT-YRNVUSSQSA-N	-1	0	335.385	-0.349	50	10		EBCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)c1	ZINC000019948984	376005871	/nfs/dbraw/zinc/00/58/71/376005871.db2.gz	PIOLBGRKGVJAKY-RAXLEYEMSA-N	-1	0	346.343	-0.001	50	10		EBCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CCOCC1	ZINC000100769112	219105901	/nfs/dbraw/zinc/10/59/01/219105901.db2.gz	AVYSXCNZRVFOGQ-JLHYYAGUSA-N	-1	0	348.359	-0.336	50	10		EBCARM
CCN1C(=O)C(=CN[C@@H](CCSC)C(=O)[O-])C(=O)NC1=S	ZINC000020462403	212133642	/nfs/dbraw/zinc/13/36/42/212133642.db2.gz	CTEDPQGFVGRVMW-CZEYKFRCSA-N	-1	0	331.419	-0.071	50	10		EBCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCOCC2)C1=O	ZINC000004856564	210301632	/nfs/dbraw/zinc/30/16/32/210301632.db2.gz	XMEGWORBDLAYEH-KHPPLWFESA-N	-1	0	346.343	-0.001	50	10		EBCARM
CN1C(=O)C(=CN[C@H](Cc2ccc(O)cc2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020572230	212148085	/nfs/dbraw/zinc/14/80/85/212148085.db2.gz	OPEPQRPYORDDKC-GFCCVEGCSA-N	-1	0	347.327	-0.088	50	10		EBCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNNCCO	ZINC000002251613	381150862	/nfs/dbraw/zinc/15/08/62/381150862.db2.gz	BNZFRIZCQYQYRX-FMIVXFBMSA-N	-1	0	336.323	-0.379	50	10		EBCARM
COC(=O)[C@H](Cc1ccc(O)cc1)NC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000020573525	212148847	/nfs/dbraw/zinc/14/88/47/212148847.db2.gz	XJXZFDUERCLKEQ-KGTBHZDVSA-N	-1	0	347.327	-0.342	50	10		EBCARM
COC(=O)[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000020573725	212148885	/nfs/dbraw/zinc/14/88/85/212148885.db2.gz	RWZQRPPTIAYHKM-LLVKDONJSA-N	-1	0	333.300	-0.684	50	10		EBCARM
CN1C(=O)C(=CN[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020572229	212147449	/nfs/dbraw/zinc/14/74/49/212147449.db2.gz	OPEPQRPYORDDKC-LBPRGKRZSA-N	-1	0	347.327	-0.088	50	10		EBCARM
COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)NC2=O)cc(C(=O)OC)c1	ZINC000006579657	375910704	/nfs/dbraw/zinc/91/07/04/375910704.db2.gz	PWZGQIPMTUFCDD-UHFFFAOYSA-N	-1	0	347.283	-0.078	50	10		EBCARM
CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000085594155	377397324	/nfs/dbraw/zinc/39/73/24/377397324.db2.gz	VZQGJARRMRAPGT-UHFFFAOYSA-N	-1	0	339.329	-0.152	50	10		EBCARM