smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCOCC3)cc2)cc1	ZINC000143159172	206137667	/nfs/dbraw/zinc/13/76/67/206137667.db2.gz	NNUFRZJZOXVZIT-FQEVSTJZSA-N	0	3	374.444	2.284	1	30		FEEFHN
C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2C[C@H]3O	ZINC000169312937	206250081	/nfs/dbraw/zinc/25/00/81/206250081.db2.gz	ALOGHCORLIBWQH-AEFRDVJXSA-N	0	3	359.510	2.393	1	30		FEEFHN
CCN(CC)CCCNC1=C(N(C)C(C)=O)C(=O)c2ccccc2C1=O	ZINC000169341366	206251807	/nfs/dbraw/zinc/25/18/07/206251807.db2.gz	BFRXUYUSNFNDHS-UHFFFAOYSA-N	0	3	357.454	2.077	1	30		FEEFHN
CO[C@H](C[C@H](CC[N@@H+]1CCC[C@@H](CO)C1)C(=O)N[O-])c1ccc(F)cc1	ZINC000064528220	205299502	/nfs/dbraw/zinc/29/95/02/205299502.db2.gz	NGWBJDOGQSUINS-UWWQBHOKSA-N	0	3	368.449	2.119	1	30		FEEFHN
CO[C@H](C[C@H](CC[N@H+]1CCC[C@@H](CO)C1)C(=O)N[O-])c1ccc(F)cc1	ZINC000064528220	205299506	/nfs/dbraw/zinc/29/95/06/205299506.db2.gz	NGWBJDOGQSUINS-UWWQBHOKSA-N	0	3	368.449	2.119	1	30		FEEFHN
COc1ccc2[nH]c(S[C@H]3Cc4ccccc4C3=NNC(=N)N)nc2c1	ZINC000043010173	208298246	/nfs/dbraw/zinc/29/82/46/208298246.db2.gz	RDPXLFXEBSOZHR-IXSYQRGLSA-N	0	3	366.450	2.266	1	30		FEEFHN
C#CCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5	ZINC000103269022	210108369	/nfs/dbraw/zinc/10/83/69/210108369.db2.gz	GTMPVPXXJONGON-UWHLTILDSA-N	0	3	353.418	2.186	1	30		FEEFHN
N#Cc1ccccc1Cn1c(=O)c2sccc2nc1N1CCC[C@@H](N)C1	ZINC000066101442	136136744	/nfs/dbraw/zinc/13/67/44/136136744.db2.gz	KCZKDUARZRJQHC-OAHLLOKOSA-N	0	3	365.462	2.305	1	30		FEEFHN
N#Cc1ccccc1Cn1c(=O)c(-c2cc[nH]c2)cnc1N1CCC[C@@H](N)C1	ZINC000038318653	136118872	/nfs/dbraw/zinc/11/88/72/136118872.db2.gz	DIOPTCUEIFYWDJ-GOSISDBHSA-N	0	3	374.448	2.086	1	30		FEEFHN
COc1ccc(CSC(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1	ZINC000028566151	581096225	/nfs/dbraw/zinc/09/62/25/581096225.db2.gz	ZLSQWFFXLOFAIF-OFQRWUPVSA-N	0	3	365.474	2.497	1	30		FEEFHN
C=CCOc1ccccc1OCC(=O)NCCNC[C@@H](O)c1ccccc1	ZINC000040632152	210044545	/nfs/dbraw/zinc/04/45/45/210044545.db2.gz	PZIVLOFLWBFDIS-GOSISDBHSA-N	0	3	370.449	2.070	1	30		FEEFHN
C=CCOc1ccccc1OCC(=O)NCCNC[C@H](O)c1ccccc1	ZINC000040632150	210044390	/nfs/dbraw/zinc/04/43/90/210044390.db2.gz	PZIVLOFLWBFDIS-SFHVURJKSA-N	0	3	370.449	2.070	1	30		FEEFHN
C=CCc1cc(CCC(=O)OC)ccc1C#C[C@]1(O)CN2CCC1CC2	ZINC000003809405	210101017	/nfs/dbraw/zinc/10/10/17/210101017.db2.gz	GQBDYMJXXKWGAS-QFIPXVFZSA-N	0	3	353.462	2.329	1	30		FEEFHN
NC(=O)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1	ZINC000073223939	210065139	/nfs/dbraw/zinc/06/51/39/210065139.db2.gz	JKWGAOMOBSWCRX-QFIPXVFZSA-N	0	3	362.429	2.386	1	30		FEEFHN
N#CC(C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2[nH]1	ZINC000101258688	526489923	/nfs/dbraw/zinc/48/99/23/526489923.db2.gz	JHWPSDWPELTFGM-IHRRRGAJSA-N	0	3	362.389	2.080	1	30		FEEFHN
C=CCc1cc(CC(=O)OCC)ccc1C#C[C@@]1(O)CN2CCC1CC2	ZINC000027656560	210163151	/nfs/dbraw/zinc/16/31/51/210163151.db2.gz	FDLZKAPZVFQDSR-JOCHJYFZSA-N	0	3	353.462	2.329	1	30		FEEFHN