smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CC[C@H]2c3cccc(C#N)c3CC[C@@H]21	ZINC000026665592	166358965	/nfs/dbraw/zinc/35/89/65/166358965.db2.gz	ZOXQOLDAOFYVMZ-HOTGVXAUSA-N	0	3	238.334	2.848	1	30		BFEFHN
C=CCN1C[C@H]2C[C@@]2(c2ccc(C)cc2)C1	ZINC000027552030	166361261	/nfs/dbraw/zinc/36/12/61/166361261.db2.gz	WNFJMANZFHWBJK-CABCVRRESA-N	0	3	213.324	2.754	1	30		BFEFHN
CN1CCCC[C@H]1/C=C1\CCCCC1=O	ZINC000013554131	173007876	/nfs/dbraw/zinc/00/78/76/173007876.db2.gz	DEYDTFXUHYVURR-IIANPFDCSA-N	0	3	207.317	2.540	1	30		BFEFHN
CN1CCCC[C@H]1/C=C1/CCCCC1=O	ZINC000013554135	173008080	/nfs/dbraw/zinc/00/80/80/173008080.db2.gz	DEYDTFXUHYVURR-WEHUKYGOSA-N	0	3	207.317	2.540	1	30		BFEFHN
CCCN(CCC)C(C)(C)C#CC(=O)SC	ZINC000034017561	169145377	/nfs/dbraw/zinc/14/53/77/169145377.db2.gz	BEXPPNNZLJYPQN-UHFFFAOYSA-N	0	3	241.400	2.780	1	30		BFEFHN
C=CCN1CC[C@@H]2c3cccc(C#N)c3CC[C@@H]21	ZINC000026665598	166359545	/nfs/dbraw/zinc/35/95/45/166359545.db2.gz	ZOXQOLDAOFYVMZ-CVEARBPZSA-N	0	3	238.334	2.848	1	30		BFEFHN
CN(C)CC#CCCC1SCCCS1	ZINC000013821685	172410592	/nfs/dbraw/zinc/41/05/92/172410592.db2.gz	XYMZTNLKBNBUSL-UHFFFAOYSA-N	0	3	229.414	2.528	1	30		BFEFHN
[NH2+]=C(C[S-])NCC12CCCC(CCC1)C2	ZINC000147264671	181184154	/nfs/dbraw/zinc/18/41/54/181184154.db2.gz	VZVHGADLJZBWNY-UHFFFAOYSA-N	0	3	226.389	2.634	1	30		BFEFHN
C=CCN1C[C@@H]2C[C@]2(c2ccc(C)cc2)C1	ZINC000027552033	166361629	/nfs/dbraw/zinc/36/16/29/166361629.db2.gz	WNFJMANZFHWBJK-LSDHHAIUSA-N	0	3	213.324	2.754	1	30		BFEFHN
CN1CCC=C(c2c[nH]c3ccc(C#N)cc23)C1	ZINC000026745903	187254567	/nfs/dbraw/zinc/25/45/67/187254567.db2.gz	WVVCLAHKAJICIB-UHFFFAOYSA-N	0	3	237.306	2.758	1	30		BFEFHN
N#C[C@H](c1ccccc1)[C@@H]1CN2CCC1CC2	ZINC000095588360	187288317	/nfs/dbraw/zinc/28/83/17/187288317.db2.gz	GZWBPBAFHZMUEH-HUUCEWRRSA-N	0	3	226.323	2.636	1	30		BFEFHN
CN1CCCC[C@@H]1/C=C1\CCCCC1=O	ZINC000013554130	173004966	/nfs/dbraw/zinc/00/49/66/173004966.db2.gz	DEYDTFXUHYVURR-HCRIHEDKSA-N	0	3	207.317	2.540	1	30		BFEFHN
C=CCN[C@H](C)Cn1c2ccccc2[nH]c1=S	ZINC000027635260	187371753	/nfs/dbraw/zinc/37/17/53/187371753.db2.gz	HTWVWRWVRRXQFS-SNVBAGLBSA-N	0	3	247.367	2.863	1	30		BFEFHN
N=C(CS)Nc1cccc2c1CCCC2	ZINC000169328995	181184899	/nfs/dbraw/zinc/18/48/99/181184899.db2.gz	DQKPQUYIUKBFPE-UHFFFAOYSA-N	0	3	220.341	2.884	1	30		BFEFHN
N=C(Nc1ccc(Cl)cc1)c1ccccc1N	ZINC000005582957	181182521	/nfs/dbraw/zinc/18/25/21/181182521.db2.gz	CGJRUFXWBGNNJB-UHFFFAOYSA-N	0	3	245.713	2.959	1	30		BFEFHN
CN1CCCC[C@@H]1/C=C1/CCCCC1=O	ZINC000013554134	173005057	/nfs/dbraw/zinc/00/50/57/173005057.db2.gz	DEYDTFXUHYVURR-NLYDNYMLSA-N	0	3	207.317	2.540	1	30		BFEFHN
N#C[C@@H](c1ccccc1)[C@@H]1CN2CCC1CC2	ZINC000095588361	188146529	/nfs/dbraw/zinc/14/65/29/188146529.db2.gz	GZWBPBAFHZMUEH-LSDHHAIUSA-N	0	3	226.323	2.636	1	30		BFEFHN
CN1CCC[C@H]1/C=C1\CCc2ccccc2C1=O	ZINC000013554148	173047452	/nfs/dbraw/zinc/04/74/52/173047452.db2.gz	REQALFQZLCDGAX-CMPYXILNSA-N	0	3	241.334	2.836	1	30		BFEFHN
C=CCN1CC[C@H]2c3c(O)cccc3CC[C@@H]21	ZINC000013826533	166358291	/nfs/dbraw/zinc/35/82/91/166358291.db2.gz	NLAWPJROLJRPAW-OLZOCXBDSA-N	0	3	229.323	2.682	1	30		BFEFHN
CCOC(=O)c1cc(C)c(/N=C/N(C)C)c(C)c1	ZINC000101751981	170291773	/nfs/dbraw/zinc/29/17/73/170291773.db2.gz	VHWHGLOGGWBFHY-OQLLNIDSSA-N	0	3	248.326	2.702	1	30		BFEFHN
C[C@H]1N=C(NCC(F)(F)F)Nc2ccccc21	ZINC000029131322	177392235	/nfs/dbraw/zinc/39/22/35/177392235.db2.gz	RPRLTSNWXVNRID-SSDOTTSWSA-N	0	3	243.232	2.681	1	30		BFEFHN
N=C(Nc1cccc(Cl)c1)c1ccccc1N	ZINC000005582956	181182523	/nfs/dbraw/zinc/18/25/23/181182523.db2.gz	NLJDVHOJYUCWAL-UHFFFAOYSA-N	0	3	245.713	2.959	1	30		BFEFHN
C=CCN1CC[C@@H]2c3c(O)cccc3CC[C@@H]21	ZINC000026004509	166358380	/nfs/dbraw/zinc/35/83/80/166358380.db2.gz	NLAWPJROLJRPAW-STQMWFEESA-N	0	3	229.323	2.682	1	30		BFEFHN