smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)NCC(=O)NCc1nccn1C	ZINC000217010161	172379154	/nfs/dbraw/zinc/37/91/54/172379154.db2.gz	IOOFMNGYRNSNOS-UHFFFAOYSA-N	0	0	239.279	-0.693	50	70		BBIARN
O=C(c1nc[nH]n1)N1CCn2nc(CO)cc2C1	ZINC000217060316	488030152	/nfs/dbraw/zinc/03/01/52/488030152.db2.gz	ZQJKMXQEHGFVKU-UHFFFAOYSA-N	0	0	248.246	-0.851	50	70		BBIARN
CN(CCc1cnn(C)c1)C(=O)c1c[nH]c(=O)[nH]1	ZINC000217105745	385877603	/nfs/dbraw/zinc/87/76/03/385877603.db2.gz	OHQIHBSBDGTMOL-UHFFFAOYSA-N	0	0	249.274	-0.249	50	70		BBIARN
C[C@@H](O)c1cc2n(n1)CCN(CCO)C2	ZINC000217354722	385881957	/nfs/dbraw/zinc/88/19/57/385881957.db2.gz	WKFMHFNFRPGVLN-MRVPVSSYSA-N	0	0	211.265	-0.256	50	70		BBIARN
C[C@H](O)c1cc2n(n1)CCN(CCO)C2	ZINC000217354812	177016732	/nfs/dbraw/zinc/01/67/32/177016732.db2.gz	WKFMHFNFRPGVLN-QMMMGPOBSA-N	0	0	211.265	-0.256	50	70		BBIARN
O=C(Cn1ccnc1)N[C@@H]1COCC[C@H]1O	ZINC000217604680	182071490	/nfs/dbraw/zinc/07/14/90/182071490.db2.gz	RGSWVBDFCWFHMA-RKDXNWHRSA-N	0	0	225.248	-0.851	50	70		BBIARN
O=C(CCn1cnnn1)N1CCc2n[nH]cc2C1	ZINC000217771057	385892331	/nfs/dbraw/zinc/89/23/31/385892331.db2.gz	HKWZVKGNQUBYDY-UHFFFAOYSA-N	0	0	247.262	-0.629	50	70		BBIARN
COC(=O)CNC(=O)c1cc(=O)c(OC)co1	ZINC000218044502	388258500	/nfs/dbraw/zinc/25/85/00/388258500.db2.gz	LCNHYERWMDLZEM-UHFFFAOYSA-N	0	0	241.199	-0.449	50	70		BBIARN
Nc1nscc1C(=O)N[C@@H]1CCOC[C@H]1O	ZINC000218052506	398099961	/nfs/dbraw/zinc/09/99/61/398099961.db2.gz	NACHNXCKNWAZMN-RNFRBKRXSA-N	0	0	243.288	-0.395	50	70		BBIARN
COC[C@@H]1[C@@H](NS(C)(=O)=O)[C@@H]2CCO[C@H]12	ZINC000218124755	488039695	/nfs/dbraw/zinc/03/96/95/488039695.db2.gz	BFQQULUSLKFLES-KZVJFYERSA-N	0	0	235.305	-0.415	50	70		BBIARN
Cc1nonc1CC(=O)N[C@@H]1COCC[C@H]1O	ZINC000218124869	488039729	/nfs/dbraw/zinc/03/97/29/488039729.db2.gz	KQSUCKVQOAEHQI-RKDXNWHRSA-N	0	0	241.247	-0.813	50	70		BBIARN
O=C(N[C@@H]1CCOC[C@H]1O)C1CCOCC1	ZINC000218279295	182306090	/nfs/dbraw/zinc/30/60/90/182306090.db2.gz	ZPNVNDOVFUCRIC-NXEZZACHSA-N	0	0	229.276	-0.321	50	70		BBIARN
O=c1c(=O)c(N2CCSCC2)c1NCCO	ZINC000218295497	385899414	/nfs/dbraw/zinc/89/94/14/385899414.db2.gz	KQOMNBVEBWMOQP-UHFFFAOYSA-N	0	0	242.300	-0.760	50	70		BBIARN
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccnn1C	ZINC000218335152	177501613	/nfs/dbraw/zinc/50/16/13/177501613.db2.gz	JNJHUBUZKDMZIZ-SSDOTTSWSA-N	0	0	249.274	-0.248	50	70		BBIARN
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccnn1C	ZINC000218335227	385900947	/nfs/dbraw/zinc/90/09/47/385900947.db2.gz	JNJHUBUZKDMZIZ-ZETCQYMHSA-N	0	0	249.274	-0.248	50	70		BBIARN
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cnn(C)c1	ZINC000218403255	385901224	/nfs/dbraw/zinc/90/12/24/385901224.db2.gz	UUCKNBRWPBMRTH-MRVPVSSYSA-N	0	0	249.274	-0.248	50	70		BBIARN
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cnn(C)c1	ZINC000218403332	385900992	/nfs/dbraw/zinc/90/09/92/385900992.db2.gz	UUCKNBRWPBMRTH-QMMMGPOBSA-N	0	0	249.274	-0.248	50	70		BBIARN
Cc1nc2s/c(=C\c3cnn(C)c3)c(=O)n2n1	ZINC000218439335	180116252	/nfs/dbraw/zinc/11/62/52/180116252.db2.gz	DJVGSQASAPKAFF-BAQGIRSFSA-N	0	0	247.283	-0.259	50	70		BBIARN
Nc1n[nH]c(CNC(=O)[C@H]2CCC[C@H](O)C2)n1	ZINC000218500886	385902059	/nfs/dbraw/zinc/90/20/59/385902059.db2.gz	WZMQBGQGLCEZOA-BQBZGAKWSA-N	0	0	239.279	-0.446	50	70		BBIARN
Cc1nc(CNC(=O)Cc2nonc2C)no1	ZINC000218551264	526877796	/nfs/dbraw/zinc/87/77/96/526877796.db2.gz	FPEWZMIAGNMTEJ-UHFFFAOYSA-N	0	0	237.219	-0.072	50	70		BBIARN
Cc1cc(CC(=O)N[C@@H]2COCC[C@H]2O)on1	ZINC000218672655	398101409	/nfs/dbraw/zinc/10/14/09/398101409.db2.gz	ZMLVAMDSUQUBCA-NXEZZACHSA-N	0	0	240.259	-0.208	50	70		BBIARN