smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2n(C)c1=O	ZINC000003152799	282595287	/nfs/dbraw/zinc/59/52/87/282595287.db2.gz	NVDQWBUTKNFVMH-UHFFFAOYSA-N	-1	0	300.274	-0.374	50	10		DBCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NN2CCOCC2)cc1	ZINC000034926472	182744621	/nfs/dbraw/zinc/74/46/21/182744621.db2.gz	BPJFTHJMOORUDJ-UHFFFAOYSA-N	-1	0	323.349	-0.050	50	10		DBCARM
CC1(C)OC(=O)C(=CN[C@@H](CCC(N)=O)C(=O)[O-])C(=O)O1	ZINC000100716075	281398266	/nfs/dbraw/zinc/39/82/66/281398266.db2.gz	OVILRNJNRZYEMX-ZETCQYMHSA-N	-1	0	300.267	-0.985	50	10		DBCARM
O=C([O-])c1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1O	ZINC000018996556	182103412	/nfs/dbraw/zinc/10/34/12/182103412.db2.gz	WRQNPSVCOMYTLM-UHFFFAOYSA-N	-1	0	307.287	-0.083	50	10		DBCARM
O=C1NC(=O)c2c1cccc2NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008514777	382660891	/nfs/dbraw/zinc/66/08/91/382660891.db2.gz	RWCOLTHQQJQXSX-UHFFFAOYSA-N	-1	0	300.230	-0.768	50	10		DBCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNCCO)C2=O)cc1	ZINC000006922879	380658990	/nfs/dbraw/zinc/65/89/90/380658990.db2.gz	SOKMCZYECWZAQX-DHZHZOJOSA-N	-1	0	304.306	-0.247	50	10		DBCARM
COC(=O)[C@@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008486265	382660215	/nfs/dbraw/zinc/66/02/15/382660215.db2.gz	WDJYAKRUMPNWTB-LLVKDONJSA-N	-1	0	317.301	-0.390	50	10		DBCARM
CC(=O)N[C@@H](CSN=Nc1nc[nH]c1C(N)=O)C(=O)[O-]	ZINC000008565729	382661580	/nfs/dbraw/zinc/66/15/80/382661580.db2.gz	PLDBJHKVWNUEQW-HTZUBCSESA-N	-1	0	300.300	-0.170	50	10		DBCARM
COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002954234	374257228	/nfs/dbraw/zinc/25/72/28/374257228.db2.gz	DRJZANBOOKKVTE-UHFFFAOYSA-N	-1	0	304.258	-0.012	50	10		DBCARM
COC(=O)[C@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008486373	382660008	/nfs/dbraw/zinc/66/00/08/382660008.db2.gz	WDJYAKRUMPNWTB-NSHDSACASA-N	-1	0	317.301	-0.390	50	10		DBCARM
CC(=O)N[C@H](CSN=Nc1nc[nH]c1C(N)=O)C(=O)[O-]	ZINC000016948710	182065590	/nfs/dbraw/zinc/06/55/90/182065590.db2.gz	PLDBJHKVWNUEQW-QMHYPJCPSA-N	-1	0	300.300	-0.170	50	10		DBCARM
CC1(C)OC(=O)C(=CN[C@@H](Cc2c[nH]cn2)C(=O)[O-])C(=O)O1	ZINC000100751463	374468502	/nfs/dbraw/zinc/46/85/02/374468502.db2.gz	NQVOUYKJEYHYNQ-VIFPVBQESA-N	-1	0	309.278	-0.285	50	10		DBCARM
CC1(C)OC(=O)C(=CN[C@H](CCC(N)=O)C(=O)[O-])C(=O)O1	ZINC000100716079	281399060	/nfs/dbraw/zinc/39/90/60/281399060.db2.gz	OVILRNJNRZYEMX-SSDOTTSWSA-N	-1	0	300.267	-0.985	50	10		DBCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNNCCO	ZINC000006927345	376564060	/nfs/dbraw/zinc/56/40/60/376564060.db2.gz	WSFRVESJSUKILF-ZRDIBKRKSA-N	-1	0	318.333	-0.518	50	10		DBCARM
COC(=O)Cc1csc(NC=C2C(=O)[N-]C(=O)NC2=O)n1	ZINC000008486241	376637434	/nfs/dbraw/zinc/63/74/34/376637434.db2.gz	BWWAHFAZAOCREC-UHFFFAOYSA-N	-1	0	310.291	-0.480	50	10		DBCARM
Cc1ccc(S(=O)(=O)NNC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006585463	181358028	/nfs/dbraw/zinc/35/80/28/181358028.db2.gz	CYEXPFMZMZIBJB-UHFFFAOYSA-N	-1	0	324.318	-0.972	50	10		DBCARM
CC1(C)OC(=O)C(=CN[C@H](Cc2c[nH]cn2)C(=O)[O-])C(=O)O1	ZINC000100751465	374468051	/nfs/dbraw/zinc/46/80/51/374468051.db2.gz	NQVOUYKJEYHYNQ-SECBINFHSA-N	-1	0	309.278	-0.285	50	10		DBCARM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1O	ZINC000095471022	185372536	/nfs/dbraw/zinc/37/25/36/185372536.db2.gz	UYGXUXUACVSQMK-UHFFFAOYSA-N	-1	0	307.287	-0.083	50	10		DBCARM
NC(=O)n1[n-]c(-c2ccccc2O)c(CN2CCOCC2)c1=O	ZINC000261492204	203073882	/nfs/dbraw/zinc/07/38/82/203073882.db2.gz	VCJXFPPETSMWBA-NSHDSACASA-N	-1	0	318.333	-0.034	50	10		DBCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCO	ZINC000002965541	374292936	/nfs/dbraw/zinc/29/29/36/374292936.db2.gz	HZTSFNJHMOIJGN-UHFFFAOYSA-N	-1	0	306.274	-0.184	50	10		DBCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNNCCO)C2=O)cc1	ZINC000009108659	382679539	/nfs/dbraw/zinc/67/95/39/382679539.db2.gz	WQPDWRPUIOOWKG-FMIVXFBMSA-N	-1	0	318.333	-0.198	50	10		DBCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNNCCO)C2=O)cc1	ZINC000017196302	374383310	/nfs/dbraw/zinc/38/33/10/374383310.db2.gz	GVJVODKVWRNWCW-DHZHZOJOSA-N	-1	0	320.305	-0.547	50	10		DBCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNNCCO	ZINC000009066106	382679007	/nfs/dbraw/zinc/67/90/07/382679007.db2.gz	URMOSBWKEKQXJK-DHZHZOJOSA-N	-1	0	304.306	-0.560	50	10		DBCARM
CCCCN1C(=O)[N-]C(=O)C(=CNCCN2CCOCC2)C1=O	ZINC000019363189	182118694	/nfs/dbraw/zinc/11/86/94/182118694.db2.gz	WCABBVMPVWSIQK-QXMHVHEDSA-N	-1	0	324.381	-0.329	50	10		DBCARM
NC(=O)n1[n-]c(-c2ccccc2O)c(CN2CCOCC2)c1=O	ZINC000019912755	376088077	/nfs/dbraw/zinc/08/80/77/376088077.db2.gz	VCJXFPPETSMWBA-LLVKDONJSA-N	-1	0	318.333	-0.034	50	10		DBCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(N)=O	ZINC000002833426	392156492	/nfs/dbraw/zinc/15/64/92/392156492.db2.gz	LKYVYADVJAYMGR-UHFFFAOYSA-N	-1	0	319.273	-0.691	50	10		DBCARM