smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1O	ZINC000012593738	525923293	/nfs/dbraw/zinc/92/32/93/525923293.db2.gz	DIFFTCUKBQYSGI-HSZRJFAPSA-N	2	1	442.575	4.433	50	10		IICAMP
COCC[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000055226032	556738318	/nfs/dbraw/zinc/73/83/18/556738318.db2.gz	HETLCHMGAYZBGZ-LJQANCHMSA-N	2	1	429.004	4.373	50	10		IICAMP
COCC[NH+](Cc1cc(Cl)ccc1O)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000055226032	556738320	/nfs/dbraw/zinc/73/83/20/556738320.db2.gz	HETLCHMGAYZBGZ-LJQANCHMSA-N	2	1	429.004	4.373	50	10		IICAMP
COCC[NH+](Cc1cc(Cl)ccc1O)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000055226032	556738323	/nfs/dbraw/zinc/73/83/23/556738323.db2.gz	HETLCHMGAYZBGZ-LJQANCHMSA-N	2	1	429.004	4.373	50	10		IICAMP
COc1cccc(O)c1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1	ZINC000023358774	557087469	/nfs/dbraw/zinc/08/74/69/557087469.db2.gz	WXKPEFHZNOTXMZ-QFIPXVFZSA-N	2	1	429.649	4.343	50	10		IICAMP
CCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCOC)C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524729124	568903599	/nfs/dbraw/zinc/90/35/99/568903599.db2.gz	DVXFOPIDPZWHRF-NZQKXSOJSA-N	2	1	442.600	4.164	50	10	biogenic	IICAMP
COc1ccc(O)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1	ZINC000012473598	524739543	/nfs/dbraw/zinc/73/95/43/524739543.db2.gz	MYNNLMDZGKJDLU-DEOSSOPVSA-N	2	1	442.575	4.433	50	10		IICAMP
CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[N@H+]2Cc2cc(C)c(C)cc2O)CC1	ZINC000072240539	557209022	/nfs/dbraw/zinc/20/90/22/557209022.db2.gz	GMAGUZRDLMCUCP-OYDLWJJNSA-N	2	1	427.633	4.085	50	10		IICAMP
CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[N@H+]2Cc2cc(C)c(C)cc2O)CC1	ZINC000072240541	557208885	/nfs/dbraw/zinc/20/88/85/557208885.db2.gz	GMAGUZRDLMCUCP-QDSKXPNFSA-N	2	1	427.633	4.085	50	10		IICAMP
COc1ccc(O)c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1	ZINC000023373166	568613734	/nfs/dbraw/zinc/61/37/34/568613734.db2.gz	CSJHQHLEPAGKEE-JOCHJYFZSA-N	2	1	429.649	4.343	50	10		IICAMP
CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CCCOC)C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524730058	569125912	/nfs/dbraw/zinc/12/59/12/569125912.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	2	1	442.600	4.164	50	10	biogenic	IICAMP
CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCCOC)C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524730058	569125913	/nfs/dbraw/zinc/12/59/13/569125913.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	2	1	442.600	4.164	50	10	biogenic	IICAMP
CCOc1cccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1O	ZINC000012281204	521339726	/nfs/dbraw/zinc/33/97/26/521339726.db2.gz	PWJFGULUYDTZEM-IBGZPJMESA-N	2	1	442.629	4.148	50	10		IICAMP
COCCC[NH+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524730251	569125863	/nfs/dbraw/zinc/12/58/63/569125863.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	1	442.600	4.218	50	10	biogenic	IICAMP
COCCC[NH+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524730251	569125865	/nfs/dbraw/zinc/12/58/65/569125865.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	1	442.600	4.218	50	10	biogenic	IICAMP
COCCC[N@@H+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524730251	569125867	/nfs/dbraw/zinc/12/58/67/569125867.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	1	442.600	4.218	50	10	biogenic	IICAMP
COCCC[N@H+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524730251	569125868	/nfs/dbraw/zinc/12/58/68/569125868.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	1	442.600	4.218	50	10	biogenic	IICAMP
COc1ccc(O)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1	ZINC000012473603	524738089	/nfs/dbraw/zinc/73/80/89/524738089.db2.gz	MYNNLMDZGKJDLU-XMMPIXPASA-N	2	1	442.575	4.433	50	10		IICAMP
CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[N@H+]2Cc2cc(C)c(C)cc2O)CC1	ZINC000248025220	556657576	/nfs/dbraw/zinc/65/75/76/556657576.db2.gz	GMAGUZRDLMCUCP-ZTCOLXNVSA-N	2	1	427.633	4.085	50	10		IICAMP
COCC[N@H+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12	ZINC000524729147	568903638	/nfs/dbraw/zinc/90/36/38/568903638.db2.gz	FZNBYZGQXNKAJR-RBBKRZOGSA-N	2	1	442.600	4.137	50	10	biogenic	IICAMP
COc1ccc(O)c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1	ZINC000023373163	568613650	/nfs/dbraw/zinc/61/36/50/568613650.db2.gz	CSJHQHLEPAGKEE-QFIPXVFZSA-N	2	1	429.649	4.343	50	10		IICAMP
CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000009849462	569571332	/nfs/dbraw/zinc/57/13/32/569571332.db2.gz	HUGBRMNFSRJEPT-UHFFFAOYSA-N	2	1	448.655	4.089	50	10		IICAMP
CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1O	ZINC000012281203	521335827	/nfs/dbraw/zinc/33/58/27/521335827.db2.gz	PWJFGULUYDTZEM-LJQANCHMSA-N	2	1	442.629	4.148	50	10		IICAMP
COc1cccc(O)c1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000039489908	556629551	/nfs/dbraw/zinc/62/95/51/556629551.db2.gz	ZROSAOMKILVGTM-QFIPXVFZSA-N	2	1	442.575	4.433	50	10		IICAMP
COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1O	ZINC000012593734	525924294	/nfs/dbraw/zinc/92/42/94/525924294.db2.gz	DIFFTCUKBQYSGI-QHCPKHFHSA-N	2	1	442.575	4.433	50	10		IICAMP
CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[N@H+]2Cc2cc(C)c(C)cc2O)CC1	ZINC000248025214	556657565	/nfs/dbraw/zinc/65/75/65/556657565.db2.gz	GMAGUZRDLMCUCP-HUVFLSCGSA-N	2	1	427.633	4.085	50	10		IICAMP
COc1cccc(O)c1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1	ZINC000023358777	557087542	/nfs/dbraw/zinc/08/75/42/557087542.db2.gz	WXKPEFHZNOTXMZ-JOCHJYFZSA-N	2	1	429.649	4.343	50	10		IICAMP
COc1cccc(O)c1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000039489909	556629499	/nfs/dbraw/zinc/62/94/99/556629499.db2.gz	ZROSAOMKILVGTM-JOCHJYFZSA-N	2	1	442.575	4.433	50	10		IICAMP
COCC[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000055226029	556738241	/nfs/dbraw/zinc/73/82/41/556738241.db2.gz	HETLCHMGAYZBGZ-IBGZPJMESA-N	2	1	429.004	4.373	50	10		IICAMP
COCC[NH+](Cc1cc(Cl)ccc1O)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000055226029	556738246	/nfs/dbraw/zinc/73/82/46/556738246.db2.gz	HETLCHMGAYZBGZ-IBGZPJMESA-N	2	1	429.004	4.373	50	10		IICAMP
COCC[NH+](Cc1cc(Cl)ccc1O)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000055226029	556738247	/nfs/dbraw/zinc/73/82/47/556738247.db2.gz	HETLCHMGAYZBGZ-IBGZPJMESA-N	2	1	429.004	4.373	50	10		IICAMP