smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)NC(=O)[N-]C1=O	ZINC000160172470	197390928	/nfs/dbraw/zinc/39/09/28/197390928.db2.gz	JAQHYKCWEXDXAG-WBMJQRKESA-N	0	3	316.361	0.305	50	70		DCIAHN
Cc1sc(C(=O)N2CCCNCC2)cc1S(N)(=O)=O	ZINC000160821454	396074935	/nfs/dbraw/zinc/07/49/35/396074935.db2.gz	FLMRTXSMAKTHLU-UHFFFAOYSA-N	0	3	303.409	0.139	50	70		DCIAHN
COCCN1CC[C@@H](CN(C)C(=O)c2[nH]nc(N)c2Cl)C1	ZINC000217791040	395840319	/nfs/dbraw/zinc/84/03/19/395840319.db2.gz	OANFUQJIMWQBLM-VIFPVBQESA-N	0	3	315.805	0.686	50	70		DCIAHN
CC(C)[C@H](NC(=O)CN1CCCN(C)CC1)c1ncnn1C	ZINC000218290178	395842125	/nfs/dbraw/zinc/84/21/25/395842125.db2.gz	DUHMVFQSQCRADA-AWEZNQCLSA-N	0	3	308.430	0.266	50	70		DCIAHN
CCCCN1CCN(c2nc(N)nc3nc[nH]c32)C[C@@H](O)C1	ZINC000216906611	395837560	/nfs/dbraw/zinc/83/75/60/395837560.db2.gz	BRRIQTRHWTUGSL-JTQLQIEISA-N	0	3	305.386	0.218	50	70		DCIAHN
Cc1c(C(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)cnn1C	ZINC000216980907	201506444	/nfs/dbraw/zinc/50/64/44/201506444.db2.gz	ROPZQNWKCSVSKP-CYBMUJFWSA-N	0	3	321.425	0.401	50	70		DCIAHN
COCc1noc(CN2CCN(c3ccncc3)C[C@@H](O)C2)n1	ZINC000217490696	395839047	/nfs/dbraw/zinc/83/90/47/395839047.db2.gz	LAPSVBJEENZPDS-ZDUSSCGKSA-N	0	3	319.365	0.294	50	70		DCIAHN
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1sccc1N	ZINC000218175222	395842089	/nfs/dbraw/zinc/84/20/89/395842089.db2.gz	FURZBZRNSMXJBL-NEPJUHHUSA-N	0	3	313.423	0.796	50	70		DCIAHN
O=C(CCn1cncn1)N1CCCO[C@H](CN2CCCC2)C1	ZINC000216969355	395837595	/nfs/dbraw/zinc/83/75/95/395837595.db2.gz	OFBFPZSUDYRLBR-CQSZACIVSA-N	0	3	307.398	0.382	50	70		DCIAHN
CN1CCC[C@@]2(CCN(C(=O)CN3CCCN(C)CC3)C2)C1=O	ZINC000217901116	416327625	/nfs/dbraw/zinc/32/76/25/416327625.db2.gz	QGDRGNWHWDWPAI-KRWDZBQOSA-N	0	3	322.453	0.095	50	70		DCIAHN
C[C@]1(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)NC(=O)[N-]C1=O	ZINC000160172597	197390657	/nfs/dbraw/zinc/39/06/57/197390657.db2.gz	JAQHYKCWEXDXAG-MLGOLLRUSA-N	0	3	316.361	0.305	50	70		DCIAHN
CN1CCC(O)(CNC(=O)[C@@H](O)c2ccccc2Cl)CC1	ZINC000218714208	545940202	/nfs/dbraw/zinc/94/02/02/545940202.db2.gz	UWJMXKRCYVFXHD-ZDUSSCGKSA-N	0	3	312.797	0.946	50	70		DCIAHN
Cc1cnn(C)c1CN1CCN(C2CCOCC2)C[C@@H](O)C1	ZINC000217026422	395837931	/nfs/dbraw/zinc/83/79/31/395837931.db2.gz	HZBIHDIAWVAEMF-HNNXBMFYSA-N	0	3	308.426	0.386	50	70		DCIAHN
O=C(CCn1cnnn1)N1CCCO[C@@H](CN2CCCCC2)C1	ZINC000217558968	279761660	/nfs/dbraw/zinc/76/16/60/279761660.db2.gz	MDIJGTKJAVFEMX-AWEZNQCLSA-N	0	3	322.413	0.167	50	70		DCIAHN
Nc1ncccc1CN1CCN(C2CCOCC2)C[C@@H](O)C1	ZINC000217772233	395840603	/nfs/dbraw/zinc/84/06/03/395840603.db2.gz	VDTUEFOKSFPMJR-HNNXBMFYSA-N	0	3	306.410	0.321	50	70		DCIAHN
CC[N@H+](C)CCCN1CCN(c2cc(=O)[n-]cn2)C[C@@H](O)C1	ZINC000217803111	395840925	/nfs/dbraw/zinc/84/09/25/395840925.db2.gz	FLYSXVKPNFMYJG-ZDUSSCGKSA-N	0	3	309.414	0.007	50	70		DCIAHN
CC[N@@H+](C)CCCN1CCN(c2cc(=O)[n-]cn2)C[C@@H](O)C1	ZINC000217803111	395840927	/nfs/dbraw/zinc/84/09/27/395840927.db2.gz	FLYSXVKPNFMYJG-ZDUSSCGKSA-N	0	3	309.414	0.007	50	70		DCIAHN
CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1F	ZINC000218217000	395841962	/nfs/dbraw/zinc/84/19/62/395841962.db2.gz	UQEGTZFVQIFZIY-ZIAGYGMSSA-N	0	3	311.357	0.686	50	70		DCIAHN
Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)n1C	ZINC000218593826	257273781	/nfs/dbraw/zinc/27/37/81/257273781.db2.gz	MGPSNOZPBFYNRZ-HIFRSBDPSA-N	0	3	309.410	0.799	50	70		DCIAHN
O=C(CCn1cncn1)N1CCCO[C@@H](CN2CCCC2)C1	ZINC000216969343	395837265	/nfs/dbraw/zinc/83/72/65/395837265.db2.gz	OFBFPZSUDYRLBR-AWEZNQCLSA-N	0	3	307.398	0.382	50	70		DCIAHN
O=C(CCn1cnnn1)N1CCCO[C@H](CN2CCCCC2)C1	ZINC000217559054	395839203	/nfs/dbraw/zinc/83/92/03/395839203.db2.gz	MDIJGTKJAVFEMX-CQSZACIVSA-N	0	3	322.413	0.167	50	70		DCIAHN
CN1CCC(O)(CNC(=O)[C@H](O)c2ccccc2Cl)CC1	ZINC000218714294	545940351	/nfs/dbraw/zinc/94/03/51/545940351.db2.gz	UWJMXKRCYVFXHD-CYBMUJFWSA-N	0	3	312.797	0.946	50	70		DCIAHN
O[C@@H]1CN(c2ncnc3[n-]cnc32)CC[N@H+](Cc2ccco2)C1	ZINC000216966824	275059161	/nfs/dbraw/zinc/05/91/61/275059161.db2.gz	IPFZKMHFECTRMR-NSHDSACASA-N	0	3	314.349	0.629	50	70		DCIAHN
O[C@@H]1CN(c2ncnc3[n-]cnc32)CC[N@@H+](Cc2ccco2)C1	ZINC000216966824	275059164	/nfs/dbraw/zinc/05/91/64/275059164.db2.gz	IPFZKMHFECTRMR-NSHDSACASA-N	0	3	314.349	0.629	50	70		DCIAHN
O[C@H]1CN(Cc2ccco2)CCN(c2ncnc3[nH]cnc32)C1	ZINC000216966824	275059165	/nfs/dbraw/zinc/05/91/65/275059165.db2.gz	IPFZKMHFECTRMR-NSHDSACASA-N	0	3	314.349	0.629	50	70		DCIAHN
CN1CCCN(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1	ZINC000216846945	416327396	/nfs/dbraw/zinc/32/73/96/416327396.db2.gz	JPIMKDXJQCGSGV-CQSZACIVSA-N	0	3	305.426	0.753	50	70		DCIAHN
CC(C)n1cncc1CN1CCN(CCN(C)C)C[C@@H](O)C1	ZINC000217752794	395840575	/nfs/dbraw/zinc/84/05/75/395840575.db2.gz	IRXIFVVQWLQTTQ-MRXNPFEDSA-N	0	3	309.458	0.504	50	70		DCIAHN
C[C@@H](CC(=O)N1CC[C@@H](N)C1)S(=O)(=O)c1ccc(F)cc1	ZINC000160213722	416007507	/nfs/dbraw/zinc/00/75/07/416007507.db2.gz	UIZWKWKSRWSBJX-CMPLNLGQSA-N	0	3	314.382	0.938	50	70		DCIAHN
C[C@H](O)C(=O)N1CCN(CCN(C)Cc2ccc(F)cc2)CC1	ZINC000161308733	416011034	/nfs/dbraw/zinc/01/10/34/416011034.db2.gz	QDYZOEGHTXVHKZ-AWEZNQCLSA-N	0	3	323.412	0.783	50	70		DCIAHN
Cc1nccc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)n1	ZINC000218018860	293625026	/nfs/dbraw/zinc/62/50/26/293625026.db2.gz	NXEKQGCPJDEFEX-KGLIPLIRSA-N	0	3	308.382	0.251	50	70		DCIAHN
C[C@]1(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)NC(=O)[N-]C1=O	ZINC000160172837	197390377	/nfs/dbraw/zinc/39/03/77/197390377.db2.gz	JAQHYKCWEXDXAG-BLLLJJGKSA-N	0	3	316.361	0.305	50	70		DCIAHN
Cc1c(C(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)cnn1C	ZINC000216980893	395837411	/nfs/dbraw/zinc/83/74/11/395837411.db2.gz	ROPZQNWKCSVSKP-ZDUSSCGKSA-N	0	3	321.425	0.401	50	70		DCIAHN
CN1CCN(C)[C@@H](CC(=O)NCCSc2ccccn2)C1	ZINC000217122696	563713005	/nfs/dbraw/zinc/71/30/05/563713005.db2.gz	BTETYZGKIYESGQ-ZDUSSCGKSA-N	0	3	308.451	0.926	50	70		DCIAHN
CCc1c(C)nn(CCNC(=O)CN2CCCN(C)CC2)c1C	ZINC000218615896	563716928	/nfs/dbraw/zinc/71/69/28/563716928.db2.gz	ZUJUSSLWQISLAE-UHFFFAOYSA-N	0	3	321.469	0.816	50	70		DCIAHN
CCCN1CCN(CC(=O)NCc2ccccn2)C[C@@H](O)C1	ZINC000217448119	395839071	/nfs/dbraw/zinc/83/90/71/395839071.db2.gz	YCWLNVNOPAHDOF-HNNXBMFYSA-N	0	3	306.410	0.086	50	70		DCIAHN
Cc1nc(NCCN2CCC(O)CC2)cc(C2CC(O)C2)n1	ZINC000218459108	395843175	/nfs/dbraw/zinc/84/31/75/395843175.db2.gz	NPDOICRTNRALPH-UHFFFAOYSA-N	0	3	306.410	0.892	50	70		DCIAHN
CCOCCN1CCN(Cc2cc(C3CC3)n[nH]2)C[C@@H](O)C1	ZINC000217424813	395838505	/nfs/dbraw/zinc/83/85/05/395838505.db2.gz	FBBPLNOZNUXCSV-HNNXBMFYSA-N	0	3	308.426	0.802	50	70		DCIAHN
CCOCCN1CCN(Cc2cc(C3CC3)[nH]n2)C[C@@H](O)C1	ZINC000217424813	395838508	/nfs/dbraw/zinc/83/85/08/395838508.db2.gz	FBBPLNOZNUXCSV-HNNXBMFYSA-N	0	3	308.426	0.802	50	70		DCIAHN
C[C@@H](O)C(=O)N1CCN(CCN(C)Cc2ccc(F)cc2)CC1	ZINC000161308868	416011265	/nfs/dbraw/zinc/01/12/65/416011265.db2.gz	QDYZOEGHTXVHKZ-CQSZACIVSA-N	0	3	323.412	0.783	50	70		DCIAHN
C[C@H](CC(=O)N1CC[C@@H](N)C1)S(=O)(=O)c1ccc(F)cc1	ZINC000160213874	256588084	/nfs/dbraw/zinc/58/80/84/256588084.db2.gz	UIZWKWKSRWSBJX-ZYHUDNBSSA-N	0	3	314.382	0.938	50	70		DCIAHN
O=C(CSCCN1CCCC1)N1CCn2nc(CO)cc2C1	ZINC000218778067	545940511	/nfs/dbraw/zinc/94/05/11/545940511.db2.gz	JUQJWNCYQPJQJR-UHFFFAOYSA-N	0	3	324.450	0.547	50	70		DCIAHN
COCCN1CC[C@H](CN(C)C(=O)c2[nH]nc(N)c2Cl)C1	ZINC000217791140	395840391	/nfs/dbraw/zinc/84/03/91/395840391.db2.gz	OANFUQJIMWQBLM-SECBINFHSA-N	0	3	315.805	0.686	50	70		DCIAHN
C[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1	ZINC000217840353	257240552	/nfs/dbraw/zinc/24/05/52/257240552.db2.gz	OQMRTSYLFSENPN-YRGRVCCFSA-N	0	3	313.423	0.630	50	70		DCIAHN
O=C(C(=O)N1CCC(N2CCC(O)CC2)CC1)c1cccnc1	ZINC000217151845	563713051	/nfs/dbraw/zinc/71/30/51/563713051.db2.gz	TYJACEANFXEXGB-UHFFFAOYSA-N	0	3	317.389	0.712	50	70		DCIAHN
CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CO)o1	ZINC000218271129	395842135	/nfs/dbraw/zinc/84/21/35/395842135.db2.gz	HOTRPZCMDRBBHZ-TZMCWYRMSA-N	0	3	312.366	0.237	50	70		DCIAHN
C[C@@]1(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)NC(=O)[N-]C1=O	ZINC000160172728	197390959	/nfs/dbraw/zinc/39/09/59/197390959.db2.gz	JAQHYKCWEXDXAG-LRDDRELGSA-N	0	3	316.361	0.305	50	70		DCIAHN
C[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@H](C)O1	ZINC000217840448	257240437	/nfs/dbraw/zinc/24/04/37/257240437.db2.gz	OQMRTSYLFSENPN-MBNYWOFBSA-N	0	3	313.423	0.630	50	70		DCIAHN
CC(C)[C@@H](NC(=O)CN1CCCN(C)CC1)c1ncnn1C	ZINC000218290118	395842244	/nfs/dbraw/zinc/84/22/44/395842244.db2.gz	DUHMVFQSQCRADA-CQSZACIVSA-N	0	3	308.430	0.266	50	70		DCIAHN
OCc1ccc(CN2CCN(c3ccncc3)C[C@@H](O)C2)o1	ZINC000216932012	395837390	/nfs/dbraw/zinc/83/73/90/395837390.db2.gz	IODDXVWFTLOPKY-AWEZNQCLSA-N	0	3	303.362	0.850	50	70		DCIAHN