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@@H](O)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1	159465929	538032797	/nfs/dbraw/zinc/03/27/97/538032797.db2.gz	YVWHIHJOZXOKLQ-GHMZBOCLSA-N	1	1	199.338	2.125	20	70		AEIDMO
CCCC[N@H+]1CCC[C@H]1C[C@@H](C)O	159369601	538033013	/nfs/dbraw/zinc/03/30/13/538033013.db2.gz	IXZLFDWWCQMCGV-MNOVXSKESA-N	1	1	185.311	2.022	20	70		AEIDMO
CC(C)=CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O	159370815	538033126	/nfs/dbraw/zinc/03/31/26/538033126.db2.gz	SQOPACGUQLCLRM-VXGBXAGGSA-N	1	1	197.322	2.188	20	70		AEIDMO
C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC1CC1	159367154	538033210	/nfs/dbraw/zinc/03/32/10/538033210.db2.gz	ZCVKNCWYSLBZPL-PWSUYJOCSA-N	1	1	197.322	2.022	20	70		AEIDMO
CC(C)=CC[N@@H+]1CCC[C@H]1C[C@@H](C)O	159370513	538033446	/nfs/dbraw/zinc/03/34/46/538033446.db2.gz	SQOPACGUQLCLRM-NEPJUHHUSA-N	1	1	197.322	2.188	20	70		AEIDMO
C[C@@H](O)C[C@H]1CCC[N@H+]1CCC1CC1	159367455	538033540	/nfs/dbraw/zinc/03/35/40/538033540.db2.gz	ZCVKNCWYSLBZPL-ZYHUDNBSSA-N	1	1	197.322	2.022	20	70		AEIDMO
C[C@H](O)[C@H]1CC[N@@H+](CCC(C)(C)C)C1	159466075	538034811	/nfs/dbraw/zinc/03/48/11/538034811.db2.gz	YVWHIHJOZXOKLQ-QWRGUYRKSA-N	1	1	199.338	2.125	20	70		AEIDMO
C[C@H](O)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1	159465798	538034868	/nfs/dbraw/zinc/03/48/68/538034868.db2.gz	YVWHIHJOZXOKLQ-WDEREUQCSA-N	1	1	199.338	2.125	20	70		AEIDMO
C[C@H](O)C[C@H]1CCC[N@H+]1CCC1CC1	159367324	538035970	/nfs/dbraw/zinc/03/59/70/538035970.db2.gz	ZCVKNCWYSLBZPL-CMPLNLGQSA-N	1	1	197.322	2.022	20	70		AEIDMO
C[C@@H](O)[C@H]1CC[N@@H+](CCC(C)(C)C)C1	159466212	538036140	/nfs/dbraw/zinc/03/61/40/538036140.db2.gz	YVWHIHJOZXOKLQ-MNOVXSKESA-N	1	1	199.338	2.125	20	70		AEIDMO
C[C@H](O)C[C@@H]1CCC[N@H+]1CCC1CC1	159367007	538036177	/nfs/dbraw/zinc/03/61/77/538036177.db2.gz	ZCVKNCWYSLBZPL-JQWIXIFHSA-N	1	1	197.322	2.022	20	70		AEIDMO
CCC(CC)C[N@H+]1CC[C@H]([C@@H](C)O)C1	159473621	538036609	/nfs/dbraw/zinc/03/66/09/538036609.db2.gz	YCDAWLKRUVUOFP-PWSUYJOCSA-N	1	1	199.338	2.125	20	70		AEIDMO
CC(C)=CC[N@@H+]1CCC[C@H]1C[C@H](C)O	159370378	538036955	/nfs/dbraw/zinc/03/69/55/538036955.db2.gz	SQOPACGUQLCLRM-RYUDHWBXSA-N	1	1	197.322	2.188	20	70		AEIDMO
CCC(CC)C[N@H+]1CC[C@@H]([C@@H](C)O)C1	159473752	538037389	/nfs/dbraw/zinc/03/73/89/538037389.db2.gz	YCDAWLKRUVUOFP-ZYHUDNBSSA-N	1	1	199.338	2.125	20	70		AEIDMO
CC(C)=CC[N@@H+]1CCC[C@@H]1C[C@H](C)O	159370676	538037419	/nfs/dbraw/zinc/03/74/19/538037419.db2.gz	SQOPACGUQLCLRM-NWDGAFQWSA-N	1	1	197.322	2.188	20	70		AEIDMO
CCCC[N@H+]1CCC[C@@H]1C[C@@H](C)O	159369468	538037504	/nfs/dbraw/zinc/03/75/04/538037504.db2.gz	IXZLFDWWCQMCGV-GHMZBOCLSA-N	1	1	185.311	2.022	20	70		AEIDMO
C[C@@H](O)C[C@H]1CCCC[N@H+]1CC1CC1	159980951	538038162	/nfs/dbraw/zinc/03/81/62/538038162.db2.gz	KGDFGHMCXPBXQZ-ZYHUDNBSSA-N	1	1	197.322	2.022	20	70		AEIDMO
C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC1CC1	159980738	538041728	/nfs/dbraw/zinc/04/17/28/538041728.db2.gz	KGDFGHMCXPBXQZ-PWSUYJOCSA-N	1	1	197.322	2.022	20	70		AEIDMO
C[C@H](O)C[C@H]1CCCC[N@H+]1CC1CC1	159980846	538042170	/nfs/dbraw/zinc/04/21/70/538042170.db2.gz	KGDFGHMCXPBXQZ-CMPLNLGQSA-N	1	1	197.322	2.022	20	70		AEIDMO
C[C@H](O)C[C@@H]1CCCC[N@H+]1CC1CC1	159980607	538042752	/nfs/dbraw/zinc/04/27/52/538042752.db2.gz	KGDFGHMCXPBXQZ-JQWIXIFHSA-N	1	1	197.322	2.022	20	70		AEIDMO
CCC[N@@H+](CC)Cc1ccc(CO)o1	160962467	538052289	/nfs/dbraw/zinc/05/22/89/538052289.db2.gz	BYKFJSYMKDYGOJ-UHFFFAOYSA-N	1	1	197.278	2.004	20	70		AEIDMO
CCC(CC)C[N@@H+](C)C(C)(C)CO	161046605	538055243	/nfs/dbraw/zinc/05/52/43/538055243.db2.gz	CZYOQPJURKIDRX-UHFFFAOYSA-N	1	1	187.327	2.125	20	70		AEIDMO
CCC(CC)C[N@@H+](C)CC[C@@H](C)O	161046748	538055474	/nfs/dbraw/zinc/05/54/74/538055474.db2.gz	QOBUXFUTFTYBRA-SNVBAGLBSA-N	1	1	187.327	2.125	20	70		AEIDMO
CCC(CC)C[N@@H+](C)CC[C@H](C)O	161046870	538056866	/nfs/dbraw/zinc/05/68/66/538056866.db2.gz	QOBUXFUTFTYBRA-JTQLQIEISA-N	1	1	187.327	2.125	20	70		AEIDMO
CCC(CC)C[N@H+]1CCC[C@@](C)(O)C1	161293986	538058365	/nfs/dbraw/zinc/05/83/65/538058365.db2.gz	HIVLQHSJDGPUIN-GFCCVEGCSA-N	1	1	199.338	2.269	20	70		AEIDMO
CC[C@@H](C)[N@@H+](C)Cc1ccc(CO)o1	161159087	538058515	/nfs/dbraw/zinc/05/85/15/538058515.db2.gz	PUJRPXSIEXYWRR-SECBINFHSA-N	1	1	197.278	2.002	20	70		AEIDMO
CCC(CC)C[N@H+]1CCC[C@](C)(O)C1	161294117	538060588	/nfs/dbraw/zinc/06/05/88/538060588.db2.gz	HIVLQHSJDGPUIN-LBPRGKRZSA-N	1	1	199.338	2.269	20	70		AEIDMO
CC[C@H](C)[N@@H+](C)Cc1ccc(CO)o1	161159176	538061081	/nfs/dbraw/zinc/06/10/81/538061081.db2.gz	PUJRPXSIEXYWRR-VIFPVBQESA-N	1	1	197.278	2.002	20	70		AEIDMO
CCCCCC[N@H+]1CC[C@@H](O)[C@H](C)C1	159411518	573201975	/nfs/dbraw/zinc/20/19/75/573201975.db2.gz	SDIKBBOVKURVFM-VXGBXAGGSA-N	1	1	199.338	2.269	20	70		AEIDMO
CCCNCC[NH2+]CC(CC)CC	161339462	486980322	/nfs/dbraw/zinc/98/03/22/486980322.db2.gz	AHIVITBUGRWJFW-UHFFFAOYSA-N	1	1	186.343	2.012	20	70		AEIDMO
CC(C)c1noc([C@H](C)[NH2+]C2CC2)n1	218590403	583492546	/nfs/dbraw/zinc/49/25/46/583492546.db2.gz	KPLMKIFJVDUATK-ZETCQYMHSA-N	1	1	195.266	2.006	20	70		AEIDMO
CC(C)c1noc([C@@H](C)[NH2+]C2CC2)n1	218590333	583492674	/nfs/dbraw/zinc/49/26/74/583492674.db2.gz	KPLMKIFJVDUATK-SSDOTTSWSA-N	1	1	195.266	2.006	20	70		AEIDMO
CC[C@H](C)[N@@H+](C)C[C@@H](O)C(C)(C)C	216895909	490067489	/nfs/dbraw/zinc/06/74/89/490067489.db2.gz	SBBUZHRECALOSP-VHSXEESVSA-N	1	1	187.327	2.124	20	70		AEIDMO
CC[C@@H]1CCC[N@H+]1C[C@@H](O)C(C)(C)C	216865648	490067551	/nfs/dbraw/zinc/06/75/51/490067551.db2.gz	LAOMXZKDXWZJIU-GHMZBOCLSA-N	1	1	199.338	2.268	20	70		AEIDMO
CC[C@H]1CCC[N@H+]1C[C@@H](O)C(C)(C)C	216865677	490067558	/nfs/dbraw/zinc/06/75/58/490067558.db2.gz	LAOMXZKDXWZJIU-WDEREUQCSA-N	1	1	199.338	2.268	20	70		AEIDMO
C[C@H](O)CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1	216960564	490067574	/nfs/dbraw/zinc/06/75/74/490067574.db2.gz	BTCJOSMGVOTPMI-GRYCIOLGSA-N	1	1	199.338	2.268	20	70		AEIDMO
CC[C@@H](C)[N@@H+](C)C[C@@H](O)C(C)(C)C	216895874	490067659	/nfs/dbraw/zinc/06/76/59/490067659.db2.gz	SBBUZHRECALOSP-NXEZZACHSA-N	1	1	187.327	2.124	20	70		AEIDMO
CCCC[C@H](C)[N@@H+](C)CCCCO	218721159	490069943	/nfs/dbraw/zinc/06/99/43/490069943.db2.gz	QOUHQOITWLQZHE-NSHDSACASA-N	1	1	187.327	2.269	20	70		AEIDMO
CCCC[C@@H](C)[N@@H+](C)CCCCO	218721077	490070294	/nfs/dbraw/zinc/07/02/94/490070294.db2.gz	QOUHQOITWLQZHE-LLVKDONJSA-N	1	1	187.327	2.269	20	70		AEIDMO
COCC[N@@H+](C)C1CCC(C)CC1	218782954	490070854	/nfs/dbraw/zinc/07/08/54/490070854.db2.gz	GNNUKBNJWFFUSR-UHFFFAOYSA-N	1	1	185.311	2.143	20	70		AEIDMO
CCC(CC)[N@@H+](CC)CCCCO	218772928	490070937	/nfs/dbraw/zinc/07/09/37/490070937.db2.gz	KYYLTRQGMCKNAR-UHFFFAOYSA-N	1	1	187.327	2.269	20	70		AEIDMO
CCc1[nH+]ccn1CCCSC	160238434	344160687	/nfs/dbraw/zinc/16/06/87/344160687.db2.gz	MDVLVGLHFIGHPR-UHFFFAOYSA-N	1	1	184.308	2.199	20	70		AEIDMO
CCCC[N@@H+](CCO)[C@@H]1C=CCCC1	161123220	344185480	/nfs/dbraw/zinc/18/54/80/344185480.db2.gz	NYPKFJTVEQLDBB-GFCCVEGCSA-N	1	1	197.322	2.190	20	70		AEIDMO
CC[N@@H+](CC(C)(C)O)[C@H]1C=CCCC1	161239293	344187778	/nfs/dbraw/zinc/18/77/78/344187778.db2.gz	ODFBWZDHTXHPBK-NSHDSACASA-N	1	1	197.322	2.188	20	70		AEIDMO
CC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1	218593039	344414115	/nfs/dbraw/zinc/41/41/15/344414115.db2.gz	QLPKLBPDSPMNDI-IJLUTSLNSA-N	1	1	199.338	2.268	20	70		AEIDMO
CC(C)[N@@H+](C)Cc1cc(O)cc(F)c1	159814518	344152641	/nfs/dbraw/zinc/15/26/41/344152641.db2.gz	PEUMAYSJVFIQOS-UHFFFAOYSA-N	1	1	197.253	2.372	20	70		AEIDMO
CCSCCn1cc[nH+]c1CC	160238589	344160374	/nfs/dbraw/zinc/16/03/74/344160374.db2.gz	ZEHCLKAYISESLF-UHFFFAOYSA-N	1	1	184.308	2.199	20	70		AEIDMO
CCCn1c[nH+]c2c1CCCC2	160403539	344165137	/nfs/dbraw/zinc/16/51/37/344165137.db2.gz	XIPPRYKIGNNQLL-UHFFFAOYSA-N	1	1	164.252	2.172	20	70		AEIDMO
CCCC[N@@H+](CCO)[C@H]1C=CCCC1	161123093	344185465	/nfs/dbraw/zinc/18/54/65/344185465.db2.gz	NYPKFJTVEQLDBB-LBPRGKRZSA-N	1	1	197.322	2.190	20	70		AEIDMO
CC[N@@H+](CC(C)(C)O)[C@@H]1C=CCCC1	161239416	344187490	/nfs/dbraw/zinc/18/74/90/344187490.db2.gz	ODFBWZDHTXHPBK-LLVKDONJSA-N	1	1	197.322	2.188	20	70		AEIDMO
C[C@H]1CCC[N@H+]1CCC(F)(F)F	218771913	344416261	/nfs/dbraw/zinc/41/62/61/344416261.db2.gz	YGCADNLWVOGLRS-ZETCQYMHSA-N	1	1	181.201	2.423	20	70		AEIDMO
CC(C)C[N@@H+](C)CCc1ccccn1	218135469	344409822	/nfs/dbraw/zinc/40/98/22/344409822.db2.gz	WSBMSUKINDUGFU-UHFFFAOYSA-N	1	1	192.306	2.212	20	70		AEIDMO
CC[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1	218593105	344414004	/nfs/dbraw/zinc/41/40/04/344414004.db2.gz	QLPKLBPDSPMNDI-UTUOFQBUSA-N	1	1	199.338	2.268	20	70		AEIDMO
CC(C)C[N@@H+](C)Cc1cccnc1	218662709	344414765	/nfs/dbraw/zinc/41/47/65/344414765.db2.gz	CLQAVZUMBMNAMT-UHFFFAOYSA-N	1	1	178.279	2.169	20	70		AEIDMO
C[C@@H]1CCC[N@H+]1CCC(F)(F)F	218771831	344416363	/nfs/dbraw/zinc/41/63/63/344416363.db2.gz	YGCADNLWVOGLRS-SSDOTTSWSA-N	1	1	181.201	2.423	20	70		AEIDMO
CCC[C@H](O)C[N@H+]1CCC[C@@H](C)CC1	216829033	409513211	/nfs/dbraw/zinc/51/32/11/409513211.db2.gz	CVUVUFQYHNVOTF-NEPJUHHUSA-N	1	1	199.338	2.269	20	70		AEIDMO
CCC[C@@H](O)C[N@H+]1CCC[C@@H](C)CC1	216828996	409513370	/nfs/dbraw/zinc/51/33/70/409513370.db2.gz	CVUVUFQYHNVOTF-VXGBXAGGSA-N	1	1	199.338	2.269	20	70		AEIDMO
CCCCCC[N@H+]1CC[C@H](O)[C@H](C)C1	159411374	573199550	/nfs/dbraw/zinc/19/95/50/573199550.db2.gz	SDIKBBOVKURVFM-NEPJUHHUSA-N	1	1	199.338	2.269	20	70		AEIDMO