smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](Cc1ccccc1)c1cc(C2CCCCC2)ccc1[O-]	ZINC000001669612	567840597	/nfs/dbraw/zinc/84/05/97/567840597.db2.gz	MZFZXVZXEKJLMW-LJQANCHMSA-N	0	3	295.426	4.682	40	10		CJCBHN
Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000005010638	170055381	/nfs/dbraw/zinc/05/53/81/170055381.db2.gz	XTJBUPXVQDLXRF-UHFFFAOYSA-N	0	3	285.350	4.714	40	10		CJCBHN
CN(C)CC1=CC(=NNc2ccccc2Cl)C=CC1=O	ZINC000006005890	170167132	/nfs/dbraw/zinc/16/71/32/170167132.db2.gz	BCAAUQURENEARX-ISLYRVAYSA-N	0	3	289.766	4.523	40	10		CJCBHN
CN(C)CC1=CC(=NNc2cccc(Cl)c2)C=CC1=O	ZINC000006005892	170167154	/nfs/dbraw/zinc/16/71/54/170167154.db2.gz	BGXQXXGWRMMVPZ-ISLYRVAYSA-N	0	3	289.766	4.523	40	10		CJCBHN
CN(C)CC1=CC(=NNc2ccc(Cl)cc2)C=CC1=O	ZINC000006005895	170167190	/nfs/dbraw/zinc/16/71/90/170167190.db2.gz	ARKLCDXQRNTCON-ISLYRVAYSA-N	0	3	289.766	4.523	40	10		CJCBHN
[NH3+][C@@H](Cc1ccccc1)c1cc(C2CCCCC2)ccc1[O-]	ZINC000006580578	170215360	/nfs/dbraw/zinc/21/53/60/170215360.db2.gz	MZFZXVZXEKJLMW-IBGZPJMESA-N	0	3	295.426	4.682	40	10		CJCBHN
CC(C)P(C1=C(N(C)C)Cc2ccccc21)C(C)C	ZINC000035904496	570233000	/nfs/dbraw/zinc/23/30/00/570233000.db2.gz	WRRZHQZDYZYEMX-UHFFFAOYSA-N	0	3	275.376	4.772	40	10		CJCBHN
CN(C)CC1=CC(=NNc2ccccc2Cl)C=CC1=O	ZINC000104312676	567916571	/nfs/dbraw/zinc/91/65/71/567916571.db2.gz	BCAAUQURENEARX-ZCXUNETKSA-N	0	3	289.766	4.523	40	10		CJCBHN
CN(C)CC1=CC(=NNc2cccc(Cl)c2)C=CC1=O	ZINC000104312682	567916583	/nfs/dbraw/zinc/91/65/83/567916583.db2.gz	BGXQXXGWRMMVPZ-ZCXUNETKSA-N	0	3	289.766	4.523	40	10		CJCBHN
CN(C)CC1=CC(=NNc2ccc(Cl)cc2)C=CC1=O	ZINC000104312689	567916548	/nfs/dbraw/zinc/91/65/48/567916548.db2.gz	ARKLCDXQRNTCON-ZCXUNETKSA-N	0	3	289.766	4.523	40	10		CJCBHN
CCCN1c2cc(Cl)c(CNC)cc2[C@@H](C)CC1(C)C	ZINC000223783096	567950749	/nfs/dbraw/zinc/95/07/49/567950749.db2.gz	FIDFFKCOQOPIJR-LBPRGKRZSA-N	0	3	294.870	4.562	40	10		CJCBHN
CNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223783183	536468830	/nfs/dbraw/zinc/46/88/30/536468830.db2.gz	CKJXFMUPLBGYPT-LBPRGKRZSA-N	0	3	294.870	4.560	40	10		CJCBHN
CCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@@H]2C	ZINC000223785246	567950928	/nfs/dbraw/zinc/95/09/28/567950928.db2.gz	WWLOBEBNNFGEFN-LBPRGKRZSA-N	0	3	294.870	4.562	40	10		CJCBHN
CCCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	ZINC000223787322	567950917	/nfs/dbraw/zinc/95/09/17/567950917.db2.gz	DLEJQXREFZHMNN-LBPRGKRZSA-N	0	3	294.870	4.562	40	10		CJCBHN
CC(C)NCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	ZINC000223789550	567950911	/nfs/dbraw/zinc/95/09/11/567950911.db2.gz	YDZUVHASJMBBDB-LBPRGKRZSA-N	0	3	294.870	4.560	40	10		CJCBHN
CNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260714420	328055952	/nfs/dbraw/zinc/05/59/52/328055952.db2.gz	CKJXFMUPLBGYPT-GFCCVEGCSA-N	0	3	294.870	4.560	40	10		CJCBHN
CCCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	ZINC000260714640	328054724	/nfs/dbraw/zinc/05/47/24/328054724.db2.gz	DLEJQXREFZHMNN-GFCCVEGCSA-N	0	3	294.870	4.562	40	10		CJCBHN
CCCN1c2cc(Cl)c(CNC)cc2[C@H](C)CC1(C)C	ZINC000260716756	328054580	/nfs/dbraw/zinc/05/45/80/328054580.db2.gz	FIDFFKCOQOPIJR-GFCCVEGCSA-N	0	3	294.870	4.562	40	10		CJCBHN
CCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@H]2C	ZINC000260725485	328055319	/nfs/dbraw/zinc/05/53/19/328055319.db2.gz	WWLOBEBNNFGEFN-GFCCVEGCSA-N	0	3	294.870	4.562	40	10		CJCBHN
CC(C)NCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	ZINC000260725562	328055336	/nfs/dbraw/zinc/05/53/36/328055336.db2.gz	YDZUVHASJMBBDB-GFCCVEGCSA-N	0	3	294.870	4.560	40	10		CJCBHN