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	525923262	/nfs/dbraw/zinc/92/32/62/525923262.db2.gz	DIFFTCUKBQYSGI-HSZRJFAPSA-N	2	0	442.575	4.433	50	10		IICARP
COCC[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000055226032	556738315	/nfs/dbraw/zinc/73/83/15/556738315.db2.gz	HETLCHMGAYZBGZ-LJQANCHMSA-N	2	0	429.004	4.373	50	10		IICARP
COc1cccc(O)c1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000023358774	557087463	/nfs/dbraw/zinc/08/74/63/557087463.db2.gz	WXKPEFHZNOTXMZ-QFIPXVFZSA-N	2	0	429.649	4.343	50	10		IICARP
COc1ccc(O)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1	ZINC000012473598	524739532	/nfs/dbraw/zinc/73/95/32/524739532.db2.gz	MYNNLMDZGKJDLU-DEOSSOPVSA-N	2	0	442.575	4.433	50	10		IICARP
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	557209020	/nfs/dbraw/zinc/20/90/20/557209020.db2.gz	GMAGUZRDLMCUCP-OYDLWJJNSA-N	2	0	427.633	4.085	50	10		IICARP
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	557208876	/nfs/dbraw/zinc/20/88/76/557208876.db2.gz	GMAGUZRDLMCUCP-QDSKXPNFSA-N	2	0	427.633	4.085	50	10		IICARP
COc1ccc(O)c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1	ZINC000023373166	568613730	/nfs/dbraw/zinc/61/37/30/568613730.db2.gz	CSJHQHLEPAGKEE-JOCHJYFZSA-N	2	0	429.649	4.343	50	10		IICARP
CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1O	ZINC000012281204	521339721	/nfs/dbraw/zinc/33/97/21/521339721.db2.gz	PWJFGULUYDTZEM-IBGZPJMESA-N	2	0	442.629	4.148	50	10		IICARP
COc1ccc(O)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1	ZINC000012473603	524738080	/nfs/dbraw/zinc/73/80/80/524738080.db2.gz	MYNNLMDZGKJDLU-XMMPIXPASA-N	2	0	442.575	4.433	50	10		IICARP
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	556657575	/nfs/dbraw/zinc/65/75/75/556657575.db2.gz	GMAGUZRDLMCUCP-ZTCOLXNVSA-N	2	0	427.633	4.085	50	10		IICARP
COc1ccc(O)c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1	ZINC000023373163	568613648	/nfs/dbraw/zinc/61/36/48/568613648.db2.gz	CSJHQHLEPAGKEE-QFIPXVFZSA-N	2	0	429.649	4.343	50	10		IICARP
CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1O	ZINC000012281203	521335810	/nfs/dbraw/zinc/33/58/10/521335810.db2.gz	PWJFGULUYDTZEM-LJQANCHMSA-N	2	0	442.629	4.148	50	10		IICARP
COc1cccc(O)c1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000039489908	556629548	/nfs/dbraw/zinc/62/95/48/556629548.db2.gz	ZROSAOMKILVGTM-QFIPXVFZSA-N	2	0	442.575	4.433	50	10		IICARP
COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1O	ZINC000012593734	525924282	/nfs/dbraw/zinc/92/42/82/525924282.db2.gz	DIFFTCUKBQYSGI-QHCPKHFHSA-N	2	0	442.575	4.433	50	10		IICARP
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	556657564	/nfs/dbraw/zinc/65/75/64/556657564.db2.gz	GMAGUZRDLMCUCP-HUVFLSCGSA-N	2	0	427.633	4.085	50	10		IICARP
COc1cccc(O)c1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000023358777	557087538	/nfs/dbraw/zinc/08/75/38/557087538.db2.gz	WXKPEFHZNOTXMZ-JOCHJYFZSA-N	2	0	429.649	4.343	50	10		IICARP
COc1cccc(O)c1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000039489909	556629494	/nfs/dbraw/zinc/62/94/94/556629494.db2.gz	ZROSAOMKILVGTM-JOCHJYFZSA-N	2	0	442.575	4.433	50	10		IICARP
COCC[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000055226029	556738237	/nfs/dbraw/zinc/73/82/37/556738237.db2.gz	HETLCHMGAYZBGZ-IBGZPJMESA-N	2	0	429.004	4.373	50	10		IICARP