smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCCSCC#N)CC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000173885684	495731208	/nfs/dbraw/zinc/73/12/08/495731208.db2.gz	FXXBWKZOTHXBPJ-FQEVSTJZSA-N	1	3	361.555	3.011	10	30		FGEEHO
C[N@@H+](CCCSCC#N)CC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000173885684	495731214	/nfs/dbraw/zinc/73/12/14/495731214.db2.gz	FXXBWKZOTHXBPJ-FQEVSTJZSA-N	1	3	361.555	3.011	10	30		FGEEHO
N#Cc1ccc(C[NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)s1	ZINC000176964990	495860736	/nfs/dbraw/zinc/86/07/36/495860736.db2.gz	MWKCOSVFYGTXGC-HXUWFJFHSA-N	1	3	355.507	3.155	10	30		FGEEHO
C[N@H+](CCCSCC#N)CC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000173885700	495732205	/nfs/dbraw/zinc/73/22/05/495732205.db2.gz	FXXBWKZOTHXBPJ-HXUWFJFHSA-N	1	3	361.555	3.011	10	30		FGEEHO
C[N@@H+](CCCSCC#N)CC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000173885700	495732214	/nfs/dbraw/zinc/73/22/14/495732214.db2.gz	FXXBWKZOTHXBPJ-HXUWFJFHSA-N	1	3	361.555	3.011	10	30		FGEEHO
CN(Cc1ccc(C#N)s1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121178071	494633574	/nfs/dbraw/zinc/63/35/74/494633574.db2.gz	ZCVAZHVFIZHZEM-OAQYLSRUSA-N	1	3	369.534	3.497	10	30		FGEEHO
C=CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC	ZINC000261630819	497423998	/nfs/dbraw/zinc/42/39/98/497423998.db2.gz	FJWCGEHIZDNBQG-UXHICEINSA-N	1	3	352.478	3.434	10	30		FGEEHO
C=CCc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1O	ZINC000261849699	497461377	/nfs/dbraw/zinc/46/13/77/497461377.db2.gz	QAFKLFLUAGKFNR-UXHICEINSA-N	1	3	352.478	3.304	10	30		FGEEHO
CN(Cc1ccc(C#N)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121165648	494625941	/nfs/dbraw/zinc/62/59/41/494625941.db2.gz	JUHFPXCJJTYMDZ-OAQYLSRUSA-N	1	3	353.466	3.029	10	30		FGEEHO
CN(Cc1ccc(C#N)s1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000121177900	494633777	/nfs/dbraw/zinc/63/37/77/494633777.db2.gz	ZCVAZHVFIZHZEM-NRFANRHFSA-N	1	3	369.534	3.497	10	30		FGEEHO
CN(Cc1ccc(C#N)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000121165486	494626307	/nfs/dbraw/zinc/62/63/07/494626307.db2.gz	JUHFPXCJJTYMDZ-NRFANRHFSA-N	1	3	353.466	3.029	10	30		FGEEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000182064798	496656422	/nfs/dbraw/zinc/65/64/22/496656422.db2.gz	XCQPGOLLYZZBCB-JOCHJYFZSA-N	1	3	354.542	3.233	10	30		FGEEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000182064798	496656426	/nfs/dbraw/zinc/65/64/26/496656426.db2.gz	XCQPGOLLYZZBCB-JOCHJYFZSA-N	1	3	354.542	3.233	10	30		FGEEHO
N#Cc1ccc(C[NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)s1	ZINC000176965001	495860925	/nfs/dbraw/zinc/86/09/25/495860925.db2.gz	MWKCOSVFYGTXGC-FQEVSTJZSA-N	1	3	355.507	3.155	10	30		FGEEHO
C[C@H](O)C[NH+]1CCC(CN(C)CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177133297	495939915	/nfs/dbraw/zinc/93/99/15/495939915.db2.gz	ZBYDKTQEXOYHKH-INIZCTEOSA-N	1	3	368.443	3.082	10	30		FGEEHO
C[C@@H](O)C[NH+]1CCC(CN(C)CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177133309	495940014	/nfs/dbraw/zinc/94/00/14/495940014.db2.gz	ZBYDKTQEXOYHKH-MRXNPFEDSA-N	1	3	368.443	3.082	10	30		FGEEHO
C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccc(CN2CCCC2)cn1	ZINC000072435615	494174867	/nfs/dbraw/zinc/17/48/67/494174867.db2.gz	BOIQHYAOABMYDT-HXUWFJFHSA-N	1	3	359.514	3.113	10	30		FGEEHO
C=CCC[C@H](C[N@H+]1CCCOCC1)Oc1ccc(CN2CCCC2)cn1	ZINC000072435615	494174871	/nfs/dbraw/zinc/17/48/71/494174871.db2.gz	BOIQHYAOABMYDT-HXUWFJFHSA-N	1	3	359.514	3.113	10	30		FGEEHO
C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ccc(CN2CCCC2)cn1	ZINC000072435611	494175382	/nfs/dbraw/zinc/17/53/82/494175382.db2.gz	BOIQHYAOABMYDT-FQEVSTJZSA-N	1	3	359.514	3.113	10	30		FGEEHO
C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ccc(CN2CCCC2)cn1	ZINC000072435611	494175378	/nfs/dbraw/zinc/17/53/78/494175378.db2.gz	BOIQHYAOABMYDT-FQEVSTJZSA-N	1	3	359.514	3.113	10	30		FGEEHO