smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1c2c3ccccc3[nH]c2c2c([n+]1N)CC(C)(C)C/C2=[NH+]\N	ZINC000004899275	471479195	/nfs/dbraw/zinc/47/91/95/471479195.db2.gz	AFNYUDBVDUTVPA-ZVHZXABRSA-O	2	1	336.463	2.910	40	30		EFEBMP
CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000253370521	474728400	/nfs/dbraw/zinc/72/84/00/474728400.db2.gz	RXQYSLUVPJWVFR-AEFFLSMTSA-N	2	1	332.492	2.735	40	30		EFEBMP
CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000253432638	474758200	/nfs/dbraw/zinc/75/82/00/474758200.db2.gz	MBIMAFRXHDOSRN-UKRRQHHQSA-N	2	1	342.409	2.965	40	30		EFEBMP
CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478965	474665699	/nfs/dbraw/zinc/66/56/99/474665699.db2.gz	AYDOUNSSBPBCRP-LRDDRELGSA-N	2	1	338.858	2.881	40	30		EFEBMP
CC[NH+](CC)Cc1cnc2n1CC[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000096196827	473332740	/nfs/dbraw/zinc/33/27/40/473332740.db2.gz	FWXXKQURVZRANS-UHFFFAOYSA-N	2	1	337.471	2.655	40	30		EFEBMP
CC[NH+]=C(NCCCSC)NC1CCN(c2cccc(C)[nH+]2)CC1	ZINC000085541352	472256561	/nfs/dbraw/zinc/25/65/61/472256561.db2.gz	ARMAVAORCXFHSS-UHFFFAOYSA-N	2	1	349.548	2.667	40	30		EFEBMP
CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000097227331	472483366	/nfs/dbraw/zinc/48/33/66/472483366.db2.gz	RXQYSLUVPJWVFR-FUHWJXTLSA-N	2	1	332.492	2.735	40	30		EFEBMP
CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478966	474666049	/nfs/dbraw/zinc/66/60/49/474666049.db2.gz	AYDOUNSSBPBCRP-MLGOLLRUSA-N	2	1	338.858	2.881	40	30		EFEBMP
C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)CC1	ZINC000069171113	215366615	/nfs/dbraw/zinc/36/66/15/215366615.db2.gz	ZLLVVNHZGYYCIP-OAQYLSRUSA-N	2	1	334.467	2.637	40	30		EFEBMP
CC(C)[N@@H+](C)C[C@H]1OC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096185407	473327780	/nfs/dbraw/zinc/32/77/80/473327780.db2.gz	FQHAVMYAIIIKLO-SLFFLAALSA-N	2	1	327.472	2.735	40	30		EFEBMP
CC(C)[NH+](C)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096185407	473327786	/nfs/dbraw/zinc/32/77/86/473327786.db2.gz	FQHAVMYAIIIKLO-SLFFLAALSA-N	2	1	327.472	2.735	40	30		EFEBMP
CC(C)[NH+](C)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096185407	473327791	/nfs/dbraw/zinc/32/77/91/473327791.db2.gz	FQHAVMYAIIIKLO-SLFFLAALSA-N	2	1	327.472	2.735	40	30		EFEBMP
[NH2+]=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCCCCC1	ZINC000097228066	472483964	/nfs/dbraw/zinc/48/39/64/472483964.db2.gz	RASNNOWNTPHNRM-UHFFFAOYSA-N	2	1	325.460	2.665	40	30		EFEBMP
CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1	ZINC000040120183	521689231	/nfs/dbraw/zinc/68/92/31/521689231.db2.gz	IWLIHPFZVCASQT-UHFFFAOYSA-N	2	1	348.494	2.986	40	30		EFEBMP
COc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCCC2)cc1	ZINC000097371836	472492139	/nfs/dbraw/zinc/49/21/39/472492139.db2.gz	GUUSCGSZPGGHSO-GOSISDBHSA-N	2	1	330.476	2.631	40	30		EFEBMP
Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCCCCC3)CC2)oc1C	ZINC000195539991	474091634	/nfs/dbraw/zinc/09/16/34/474091634.db2.gz	YBCHCCAKJWUFSS-UHFFFAOYSA-N	2	1	347.507	2.694	40	30		EFEBMP
C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000189973769	474524674	/nfs/dbraw/zinc/52/46/74/474524674.db2.gz	MZQHSKBHMIRLQN-ZEDDUWKQSA-N	2	1	338.499	2.862	40	30		EFEBMP
C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000189973769	474524686	/nfs/dbraw/zinc/52/46/86/474524686.db2.gz	MZQHSKBHMIRLQN-ZEDDUWKQSA-N	2	1	338.499	2.862	40	30		EFEBMP
CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000253432637	474757943	/nfs/dbraw/zinc/75/79/43/474757943.db2.gz	MBIMAFRXHDOSRN-HIFRSBDPSA-N	2	1	342.409	2.965	40	30		EFEBMP
CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000253432639	474758346	/nfs/dbraw/zinc/75/83/46/474758346.db2.gz	MBIMAFRXHDOSRN-ZFWWWQNUSA-N	2	1	342.409	2.965	40	30		EFEBMP
C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000189973747	287142048	/nfs/dbraw/zinc/14/20/48/287142048.db2.gz	MZQHSKBHMIRLQN-XVSDAANHSA-N	2	1	338.499	2.862	40	30		EFEBMP
C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000189973747	287142049	/nfs/dbraw/zinc/14/20/49/287142049.db2.gz	MZQHSKBHMIRLQN-XVSDAANHSA-N	2	1	338.499	2.862	40	30		EFEBMP
N#Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1	ZINC000096196884	473332989	/nfs/dbraw/zinc/33/29/89/473332989.db2.gz	UGWWJTCDZPIFMW-UHFFFAOYSA-N	2	1	349.482	2.799	40	30		EFEBMP
C=CCOc1c(Br)cc(C[NH2+]CCC[NH2+]C)cc1OC	ZINC000007525109	471619858	/nfs/dbraw/zinc/61/98/58/471619858.db2.gz	XNAJEFLEUPSQLC-UHFFFAOYSA-N	2	1	343.265	2.722	40	30		EFEBMP
Cc1cc(N2CCC([NH2+]Cc3cc(C#N)cs3)CC2)nc(C)[nH+]1	ZINC000178615106	525056931	/nfs/dbraw/zinc/05/69/31/525056931.db2.gz	QPFYHYZNTUEALC-UHFFFAOYSA-N	2	1	327.457	2.785	40	30		EFEBMP
C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)CC1	ZINC000069171111	215367005	/nfs/dbraw/zinc/36/70/05/215367005.db2.gz	ZLLVVNHZGYYCIP-NRFANRHFSA-N	2	1	334.467	2.637	40	30		EFEBMP
CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096196843	473332886	/nfs/dbraw/zinc/33/28/86/473332886.db2.gz	VAMZWQBFTMAPHW-UHFFFAOYSA-N	2	1	337.471	2.653	40	30		EFEBMP
CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000096196843	473332890	/nfs/dbraw/zinc/33/28/90/473332890.db2.gz	VAMZWQBFTMAPHW-UHFFFAOYSA-N	2	1	337.471	2.653	40	30		EFEBMP
CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cccc(C#N)c1)CC2	ZINC000096196843	473332895	/nfs/dbraw/zinc/33/28/95/473332895.db2.gz	VAMZWQBFTMAPHW-UHFFFAOYSA-N	2	1	337.471	2.653	40	30		EFEBMP
C=CC[N@H+]1Cc2ccccc2C2(CC[NH+](Cc3cnn(C)c3)CC2)C1	ZINC000096079536	473291490	/nfs/dbraw/zinc/29/14/90/473291490.db2.gz	ADVXUKJMCWAOBZ-UHFFFAOYSA-N	2	1	336.483	2.956	40	30		EFEBMP
CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000253432636	474757975	/nfs/dbraw/zinc/75/79/75/474757975.db2.gz	MBIMAFRXHDOSRN-DZGCQCFKSA-N	2	1	342.409	2.965	40	30		EFEBMP
COc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCCC2)cc1	ZINC000097371834	472492701	/nfs/dbraw/zinc/49/27/01/472492701.db2.gz	GUUSCGSZPGGHSO-SFHVURJKSA-N	2	1	330.476	2.631	40	30		EFEBMP
CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478964	474665299	/nfs/dbraw/zinc/66/52/99/474665299.db2.gz	AYDOUNSSBPBCRP-BLLLJJGKSA-N	2	1	338.858	2.881	40	30		EFEBMP
CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000253370522	474727519	/nfs/dbraw/zinc/72/75/19/474727519.db2.gz	RXQYSLUVPJWVFR-WMZOPIPTSA-N	2	1	332.492	2.735	40	30		EFEBMP
CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000097227333	472483701	/nfs/dbraw/zinc/48/37/01/472483701.db2.gz	RXQYSLUVPJWVFR-SJLPKXTDSA-N	2	1	332.492	2.735	40	30		EFEBMP
CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478967	474666402	/nfs/dbraw/zinc/66/64/02/474666402.db2.gz	AYDOUNSSBPBCRP-WBMJQRKESA-N	2	1	338.858	2.881	40	30		EFEBMP