smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CC[NH+]1CCN(C(=O)c2ccccc2)CC1)NO	ZINC000071329228	176124054	/nfs/dbraw/zinc/12/40/54/176124054.db2.gz	YODFRUSUMBOJSA-UHFFFAOYSA-N	1	2	277.324	0.340	1	30		CCEFLO
CCOC(=O)[C@@H]1CCCC[N@@H+]1CC#CCN(C)C(C)=O	ZINC000096880851	185119140	/nfs/dbraw/zinc/11/91/40/185119140.db2.gz	CEIBSURWVNRQDL-AWEZNQCLSA-N	1	2	280.368	0.886	1	30		CCEFLO
CCOC(=O)[C@@H]1CCCC[N@H+]1CC#CCN(C)C(C)=O	ZINC000096880851	185119141	/nfs/dbraw/zinc/11/91/41/185119141.db2.gz	CEIBSURWVNRQDL-AWEZNQCLSA-N	1	2	280.368	0.886	1	30		CCEFLO
C=C(C[NH+]1CCOCC1)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O	ZINC000095588979	185012066	/nfs/dbraw/zinc/01/20/66/185012066.db2.gz	IBIPCJABGUZQSO-BFHYXJOUSA-N	1	2	253.342	0.563	1	30		CCEFLO
[NH3+][C@H](C(=O)NO)C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000035272866	172093481	/nfs/dbraw/zinc/09/34/81/172093481.db2.gz	DYXNPPFTNJWJBZ-QMMMGPOBSA-N	1	2	291.229	0.154	1	30		CCEFLO
NC1=C(Br)[C@@H]2[NH2+]CCc3c[nH]c(c32)C1=O	ZINC000040395168	174252957	/nfs/dbraw/zinc/25/29/57/174252957.db2.gz	RJBLTWFNTVOUOI-MRVPVSSYSA-N	1	2	268.114	0.963	1	30	in-vivo	CCEFLO
C#CCNC(=O)[C@@H]1O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]1O2	ZINC000045339267	175361223	/nfs/dbraw/zinc/36/12/23/175361223.db2.gz	QEAKVLFKHZOZIE-SOUVJXGZSA-N	1	2	286.331	0.362	1	30		CCEFLO
C#CCNC(=O)[C@@H]1O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]1O2	ZINC000045339267	175361225	/nfs/dbraw/zinc/36/12/25/175361225.db2.gz	QEAKVLFKHZOZIE-SOUVJXGZSA-N	1	2	286.331	0.362	1	30		CCEFLO
[NH3+][C@H](C(=O)NO)C(=O)NCc1cccc(-c2ccccc2)c1	ZINC000035269827	172091654	/nfs/dbraw/zinc/09/16/54/172091654.db2.gz	NVCRIBFMYFPNHG-AWEZNQCLSA-N	1	2	299.330	0.803	1	30		CCEFLO
[NH3+][C@@H](C(=O)NO)C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000035272870	172093212	/nfs/dbraw/zinc/09/32/12/172093212.db2.gz	DYXNPPFTNJWJBZ-MRVPVSSYSA-N	1	2	291.229	0.154	1	30		CCEFLO
Cc1[nH+]c[nH]c1CSCCNC(=[NH2+])CC(=O)[O-]	ZINC000040466141	174274792	/nfs/dbraw/zinc/27/47/92/174274792.db2.gz	JEMUYRZVLBPRJP-UHFFFAOYSA-N	1	2	256.331	0.783	1	30		CCEFLO
COc1ccc2c3c1OC1C(=O)C=CC4(O)C(C2)[NH2+]CCC314	ZINC000006019009	170169053	/nfs/dbraw/zinc/16/90/53/170169053.db2.gz	WCEICHOCRFRVDG-KKBVYLPWSA-N	1	2	299.326	0.482	1	30		CCEFLO
[NH3+][C@@H](C(=O)NO)C(=O)NCc1cccc(-c2ccccc2)c1	ZINC000035269832	172092115	/nfs/dbraw/zinc/09/21/15/172092115.db2.gz	NVCRIBFMYFPNHG-CQSZACIVSA-N	1	2	299.330	0.803	1	30		CCEFLO
CN(CCCCc1ccccc1)C(=O)[C@H]([NH3+])C(=O)NO	ZINC000035273456	172093734	/nfs/dbraw/zinc/09/37/34/172093734.db2.gz	WCILWICIFBRTKE-GFCCVEGCSA-N	1	2	279.340	0.300	1	30		CCEFLO
CCOC(=O)[C@H]1CCCC[N@@H+]1CC#CCN(C)C(C)=O	ZINC000096880852	185119080	/nfs/dbraw/zinc/11/90/80/185119080.db2.gz	CEIBSURWVNRQDL-CQSZACIVSA-N	1	2	280.368	0.886	1	30		CCEFLO
CCOC(=O)[C@H]1CCCC[N@H+]1CC#CCN(C)C(C)=O	ZINC000096880852	185119081	/nfs/dbraw/zinc/11/90/81/185119081.db2.gz	CEIBSURWVNRQDL-CQSZACIVSA-N	1	2	280.368	0.886	1	30		CCEFLO
COc1ccncc1C1=NNC(=O)C1=NNc1cc[nH+]cc1	ZINC000049421783	524853870	/nfs/dbraw/zinc/85/38/70/524853870.db2.gz	KABKQUWVWCCELW-UHFFFAOYSA-N	1	2	296.290	0.787	1	30		CCEFLO
[NH3+][C@@H](C(=O)NO)C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000096901968	185127370	/nfs/dbraw/zinc/12/73/70/185127370.db2.gz	KRTZYHFLDKJJBA-ZDUSSCGKSA-N	1	2	291.351	0.300	1	30		CCEFLO
CN(CCCCc1ccccc1)C(=O)[C@@H]([NH3+])C(=O)NO	ZINC000035273461	172093574	/nfs/dbraw/zinc/09/35/74/172093574.db2.gz	WCILWICIFBRTKE-LBPRGKRZSA-N	1	2	279.340	0.300	1	30		CCEFLO
C=N[C@H](Cc1c[nH]c2ccccc12)C(=O)C1=C(N)NN[C@H]1[NH3+]	ZINC000071296235	176112159	/nfs/dbraw/zinc/11/21/59/176112159.db2.gz	YNHYAXZXINOFOY-YRGRVCCFSA-N	1	2	298.350	0.125	1	30		CCEFLO
C[NH+]=C(NCCSCc1[nH]c[nH+]c1C)[S@@](=O)[O-]	ZINC000040504491	174301348	/nfs/dbraw/zinc/30/13/48/174301348.db2.gz	HBPSYKUUBQFJEO-UHFFFAOYSA-N	1	2	276.387	0.748	1	30		CCEFLO
[NH3+][C@H](C(=O)NO)C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000096901967	185127623	/nfs/dbraw/zinc/12/76/23/185127623.db2.gz	KRTZYHFLDKJJBA-CYBMUJFWSA-N	1	2	291.351	0.300	1	30		CCEFLO
C[NH+]=C(NCCSCc1[nH]c[nH+]c1C)S(=O)(=O)[O-]	ZINC000040631404	174358148	/nfs/dbraw/zinc/35/81/48/174358148.db2.gz	DWCGBWKDTJZHQT-UHFFFAOYSA-N	1	2	292.386	0.415	1	30		CCEFLO
NC1=C(Br)[C@H]2[NH2+]CCc3c[nH]c(c32)C1=O	ZINC000040395169	174252876	/nfs/dbraw/zinc/25/28/76/174252876.db2.gz	RJBLTWFNTVOUOI-QMMMGPOBSA-N	1	2	268.114	0.963	1	30	in-vivo	CCEFLO