smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)Cc2ccc(N3CCOCC3)c(F)c2)nc(N2CCOCC2)[nH]1	ZINC000059531209	554406895	/nfs/dbraw/zinc/40/68/95/554406895.db2.gz	CLTOJGDNOWQUBD-UHFFFAOYSA-N	1	2	596.679	2.760	40	10		KFCBLO
COC[C@@H]1CCCN1c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccncc3)[C@@H](/C=C\CO2)C1	ZINC000067878963	554534447	/nfs/dbraw/zinc/53/44/47/554534447.db2.gz	XMXKELGDWWERQE-VEHNPLLJSA-N	1	2	547.700	2.906	40	10		KFCBLO
COc1ccc(CNC(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccc(N4CCOCC4)cc2C[NH2+]CC3=O)cc1	ZINC000072320693	553647957	/nfs/dbraw/zinc/64/79/57/553647957.db2.gz	FIFDHYGHHWQDEG-DQEYMECFSA-N	1	2	550.700	2.965	40	10		KFCBLO
COc1ccccc1CNC(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O	ZINC000072320694	553647924	/nfs/dbraw/zinc/64/79/24/553647924.db2.gz	OHRMKBIJFFYNSP-ZCYQVOJMSA-N	1	2	550.700	2.965	40	10		KFCBLO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O)NCc1ccc(F)cc1	ZINC000100034978	554187994	/nfs/dbraw/zinc/18/79/94/554187994.db2.gz	LKEJWMCCYYBBLD-DRYSHGSZSA-N	1	2	536.648	2.872	40	10		KFCBLO
CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O	ZINC000100034999	554188008	/nfs/dbraw/zinc/18/80/08/554188008.db2.gz	KFDANODBFLWCIZ-AXJLXYLLSA-N	1	2	547.700	2.512	40	10		KFCBLO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O)NCc1ccccc1F	ZINC000100035003	554187951	/nfs/dbraw/zinc/18/79/51/554187951.db2.gz	CKKJUCULNYJTFL-RQPZTNHCSA-N	1	2	536.648	2.872	40	10		KFCBLO
CCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O	ZINC000100035269	554188267	/nfs/dbraw/zinc/18/82/67/554188267.db2.gz	AWPQLJOGIUTHIM-BBKGRECJSA-N	1	2	505.663	2.790	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000150344932	571459584	/nfs/dbraw/zinc/45/95/84/571459584.db2.gz	JWVPRIUMDUETIT-QMGZIDCMSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000150344932	571459582	/nfs/dbraw/zinc/45/95/82/571459582.db2.gz	JWVPRIUMDUETIT-QMGZIDCMSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[N@@H+](Cc2c([O-])c(C[NH+]3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000150344932	571459581	/nfs/dbraw/zinc/45/95/81/571459581.db2.gz	JWVPRIUMDUETIT-QMGZIDCMSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[N@H+](Cc2c([O-])c(C[NH+]3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000150344932	571459579	/nfs/dbraw/zinc/45/95/79/571459579.db2.gz	JWVPRIUMDUETIT-QMGZIDCMSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000150344934	571459639	/nfs/dbraw/zinc/45/96/39/571459639.db2.gz	JWVPRIUMDUETIT-XDJLFPQVSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000150344934	571459637	/nfs/dbraw/zinc/45/96/37/571459637.db2.gz	JWVPRIUMDUETIT-XDJLFPQVSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000150344934	571459635	/nfs/dbraw/zinc/45/96/35/571459635.db2.gz	JWVPRIUMDUETIT-XDJLFPQVSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000150344934	571459633	/nfs/dbraw/zinc/45/96/33/571459633.db2.gz	JWVPRIUMDUETIT-XDJLFPQVSA-N	1	2	654.757	2.514	40	10		KFCBLO
O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2c(C[NH+]3CCCCCC3)c([O-])c(C[NH+]3CCCCCC3)c(O)c12	ZINC000150345052	571459686	/nfs/dbraw/zinc/45/96/86/571459686.db2.gz	LBACSYOIVLDBSI-BEYFWPOZSA-N	1	2	654.757	2.802	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000226744427	572140451	/nfs/dbraw/zinc/14/04/51/572140451.db2.gz	JWVPRIUMDUETIT-QBRYNYCPSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1	ZINC000226744427	572140450	/nfs/dbraw/zinc/14/04/50/572140450.db2.gz	JWVPRIUMDUETIT-QBRYNYCPSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000226744427	572140449	/nfs/dbraw/zinc/14/04/49/572140449.db2.gz	JWVPRIUMDUETIT-QBRYNYCPSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000226744427	572140448	/nfs/dbraw/zinc/14/04/48/572140448.db2.gz	JWVPRIUMDUETIT-QBRYNYCPSA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[N@H+](Cc2c([O-])c(C[NH+]3CCC[C@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000226744436	572140627	/nfs/dbraw/zinc/14/06/27/572140627.db2.gz	JWVPRIUMDUETIT-LJQOOJLESA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[N@@H+](Cc2c([O-])c(C[NH+]3CCC[C@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000226744436	572140623	/nfs/dbraw/zinc/14/06/23/572140623.db2.gz	JWVPRIUMDUETIT-LJQOOJLESA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000226744436	572140619	/nfs/dbraw/zinc/14/06/19/572140619.db2.gz	JWVPRIUMDUETIT-LJQOOJLESA-N	1	2	654.757	2.514	40	10		KFCBLO
C[C@@H]1CCC[NH+](Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1	ZINC000226744436	572140615	/nfs/dbraw/zinc/14/06/15/572140615.db2.gz	JWVPRIUMDUETIT-LJQOOJLESA-N	1	2	654.757	2.514	40	10		KFCBLO
Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CC[NH+](C)CC3)C2=O)ccc1Br	ZINC000408526705	572158114	/nfs/dbraw/zinc/15/81/14/572158114.db2.gz	CEBGRUMVPSIZOU-NTCAYCPXSA-N	1	2	554.405	2.670	40	10		KFCBLO
CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CC[NH+](C)CC2)C1=O	ZINC000408529155	572167488	/nfs/dbraw/zinc/16/74/88/572167488.db2.gz	HCOFRQDIBNOTGI-DTQAZKPQSA-N	1	2	568.432	2.924	40	10		KFCBLO
Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CC[NH+](C)CC3)C2=O)c(C)cc1Br	ZINC000408532440	572179577	/nfs/dbraw/zinc/17/95/77/572179577.db2.gz	MRKAEVCERIHLRH-NTCAYCPXSA-N	1	2	568.432	2.978	40	10		KFCBLO
Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CC[NH+](C)CC3)C2=O)c1C	ZINC000408533149	572182045	/nfs/dbraw/zinc/18/20/45/572182045.db2.gz	ODLOVPKZSLDSLR-NTCAYCPXSA-N	1	2	568.432	2.978	40	10		KFCBLO
Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CC[NH+](C)CC3)n(C)c(=O)n4C)C2=O)c1C	ZINC000408534296	572185696	/nfs/dbraw/zinc/18/56/96/572185696.db2.gz	QEMOQLSQHOOBJZ-SAPNQHFASA-N	1	2	596.486	2.587	40	10		KFCBLO
Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CC[NH+](C)CC3)C2=O)cc1C	ZINC000408536011	572190390	/nfs/dbraw/zinc/19/03/90/572190390.db2.gz	VEQCDVHUUXBGKU-QINSGFPZSA-N	1	2	568.432	2.978	40	10		KFCBLO
Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CC[NH+](C)CC3)n(C)c(=O)n4C)C2=O)c(C)cc1Br	ZINC000408536572	572191495	/nfs/dbraw/zinc/19/14/95/572191495.db2.gz	WRMYZHIPMSZRMA-SAPNQHFASA-N	1	2	596.486	2.587	40	10		KFCBLO
C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)CC1	ZINC000408536726	572192287	/nfs/dbraw/zinc/19/22/87/572192287.db2.gz	XPEIOWNMCRJXEN-OBGWFSINSA-N	1	2	511.542	2.752	40	10		KFCBLO
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O)NCc1ccccc1F	ZINC000958317596	1059748063	/nfs/dbraw/zinc/74/80/63/1059748063.db2.gz	CKKJUCULNYJTFL-UPVQGACJSA-N	1	2	536.648	2.872	40	10		KFCBLO
CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O	ZINC000958317610	1059748164	/nfs/dbraw/zinc/74/81/64/1059748164.db2.gz	KFDANODBFLWCIZ-DQEYMECFSA-N	1	2	547.700	2.512	40	10		KFCBLO
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O)NCc1ccc(F)cc1	ZINC000958317614	1059748016	/nfs/dbraw/zinc/74/80/16/1059748016.db2.gz	LKEJWMCCYYBBLD-ZEQRLZLVSA-N	1	2	536.648	2.872	40	10		KFCBLO
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O)NCc1cccc(F)c1	ZINC000958317626	1059748818	/nfs/dbraw/zinc/74/88/18/1059748818.db2.gz	QKYADXSZBDISDQ-ZEQRLZLVSA-N	1	2	536.648	2.872	40	10		KFCBLO
COC[C@@H]1CCCN1c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccncc3)[C@@H](C=CCO2)C1	ZINC000958317633	1059748850	/nfs/dbraw/zinc/74/88/50/1059748850.db2.gz	XMXKELGDWWERQE-VBOOUTDYSA-N	1	2	547.700	2.906	40	10		KFCBLO
CCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O	ZINC000958317641	1059748625	/nfs/dbraw/zinc/74/86/25/1059748625.db2.gz	AWPQLJOGIUTHIM-GOTSBHOMSA-N	1	2	505.663	2.790	40	10		KFCBLO
CN(CCc1ccccn1)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NC3CC3)[C@@H](C=CCO2)C1	ZINC000958317644	1059748700	/nfs/dbraw/zinc/74/87/00/1059748700.db2.gz	FNDFWZVYWWJEJS-GOTSBHOMSA-N	1	2	517.674	2.932	40	10		KFCBLO