smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000245935721	497577537	/nfs/dbraw/zinc/57/75/37/497577537.db2.gz	KWCTXMZUIBMAOK-CXAGYDPISA-N	2	1	371.872	3.208	10	30		FGEEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000245935721	497577539	/nfs/dbraw/zinc/57/75/39/497577539.db2.gz	KWCTXMZUIBMAOK-CXAGYDPISA-N	2	1	371.872	3.208	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000103473964	495238676	/nfs/dbraw/zinc/23/86/76/495238676.db2.gz	LBUPOUATIVUSHR-SFHVURJKSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000103473964	495238681	/nfs/dbraw/zinc/23/86/81/495238681.db2.gz	LBUPOUATIVUSHR-SFHVURJKSA-N	2	1	363.465	3.024	10	30		FGEEMP
C[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106128310	495418676	/nfs/dbraw/zinc/41/86/76/495418676.db2.gz	QUSGSRGKGAVIPT-QHCPKHFHSA-N	2	1	363.505	3.436	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000154558016	495654430	/nfs/dbraw/zinc/65/44/30/495654430.db2.gz	KWCTXMZUIBMAOK-GUYCJALGSA-N	2	1	371.872	3.208	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000154558016	495654435	/nfs/dbraw/zinc/65/44/35/495654435.db2.gz	KWCTXMZUIBMAOK-GUYCJALGSA-N	2	1	371.872	3.208	10	30		FGEEMP
C[NH+]=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCc2ccccc21	ZINC000263258091	497742847	/nfs/dbraw/zinc/74/28/47/497742847.db2.gz	RORJUYXWJCFGKY-UHFFFAOYSA-N	2	1	359.477	3.112	10	30		FGEEMP
C=C(Br)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000155109970	705063710	/nfs/dbraw/zinc/06/37/10/705063710.db2.gz	CNOLPCQMOIGXGG-GOSISDBHSA-N	2	1	367.331	3.272	10	30		FGEEMP
C=C(Br)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000155109970	705063715	/nfs/dbraw/zinc/06/37/15/705063715.db2.gz	CNOLPCQMOIGXGG-GOSISDBHSA-N	2	1	367.331	3.272	10	30		FGEEMP
C=CCn1c(C2CC2)nn(CN2CCC[C@H]2Cn2cc[nH+]c2C)c1=S	ZINC000176072412	705570252	/nfs/dbraw/zinc/57/02/52/705570252.db2.gz	AAVOIPJHPVVQNU-INIZCTEOSA-N	2	1	358.515	3.105	10	30		FGEEMP
C[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000106127837	495418772	/nfs/dbraw/zinc/41/87/72/495418772.db2.gz	ADOVMBIAQBCELY-HSZRJFAPSA-N	2	1	363.505	3.436	10	30		FGEEMP
Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180239660	495920733	/nfs/dbraw/zinc/92/07/33/495920733.db2.gz	KDUAARGHZWFOCQ-FQEVSTJZSA-N	2	1	360.465	3.128	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180239660	495920739	/nfs/dbraw/zinc/92/07/39/495920739.db2.gz	KDUAARGHZWFOCQ-FQEVSTJZSA-N	2	1	360.465	3.128	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000103473994	495239147	/nfs/dbraw/zinc/23/91/47/495239147.db2.gz	QEVPPBXAXYOCGN-QGZVFWFLSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000103473994	495239150	/nfs/dbraw/zinc/23/91/50/495239150.db2.gz	QEVPPBXAXYOCGN-QGZVFWFLSA-N	2	1	363.465	3.024	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C	ZINC000154576401	495659060	/nfs/dbraw/zinc/65/90/60/495659060.db2.gz	DACFZRSRVCZLII-FUHWJXTLSA-N	2	1	372.538	3.321	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C	ZINC000154576401	495659066	/nfs/dbraw/zinc/65/90/66/495659066.db2.gz	DACFZRSRVCZLII-FUHWJXTLSA-N	2	1	372.538	3.321	10	30		FGEEMP
C[N@@H+](CCCSCC#N)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000173885700	495732199	/nfs/dbraw/zinc/73/21/99/495732199.db2.gz	FXXBWKZOTHXBPJ-HXUWFJFHSA-N	2	1	361.555	3.011	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000103473965	495239635	/nfs/dbraw/zinc/23/96/35/495239635.db2.gz	LBUPOUATIVUSHR-GOSISDBHSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000103473965	495239640	/nfs/dbraw/zinc/23/96/40/495239640.db2.gz	LBUPOUATIVUSHR-GOSISDBHSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1	ZINC000103473963	495238983	/nfs/dbraw/zinc/23/89/83/495238983.db2.gz	UYQKWBZILSWREB-GOSISDBHSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1	ZINC000103473963	495238987	/nfs/dbraw/zinc/23/89/87/495238987.db2.gz	UYQKWBZILSWREB-GOSISDBHSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000103473993	495239327	/nfs/dbraw/zinc/23/93/27/495239327.db2.gz	QEVPPBXAXYOCGN-KRWDZBQOSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000103473993	495239332	/nfs/dbraw/zinc/23/93/32/495239332.db2.gz	QEVPPBXAXYOCGN-KRWDZBQOSA-N	2	1	363.465	3.024	10	30		FGEEMP
C[N@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121178071	494633567	/nfs/dbraw/zinc/63/35/67/494633567.db2.gz	ZCVAZHVFIZHZEM-OAQYLSRUSA-N	2	1	369.534	3.497	10	30		FGEEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000178753489	496560635	/nfs/dbraw/zinc/56/06/35/496560635.db2.gz	AFKKAZQSJJCWEX-QGZVFWFLSA-N	2	1	371.872	3.210	10	30		FGEEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000178753489	496560641	/nfs/dbraw/zinc/56/06/41/496560641.db2.gz	AFKKAZQSJJCWEX-QGZVFWFLSA-N	2	1	371.872	3.210	10	30		FGEEMP
C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC	ZINC000261630819	497423993	/nfs/dbraw/zinc/42/39/93/497423993.db2.gz	FJWCGEHIZDNBQG-UXHICEINSA-N	2	1	352.478	3.434	10	30		FGEEMP
C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1O	ZINC000261849699	497461371	/nfs/dbraw/zinc/46/13/71/497461371.db2.gz	QAFKLFLUAGKFNR-UXHICEINSA-N	2	1	352.478	3.304	10	30		FGEEMP
C=C(Br)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000155109858	705063936	/nfs/dbraw/zinc/06/39/36/705063936.db2.gz	CNOLPCQMOIGXGG-SFHVURJKSA-N	2	1	367.331	3.272	10	30		FGEEMP
C=C(Br)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000155109858	705063939	/nfs/dbraw/zinc/06/39/39/705063939.db2.gz	CNOLPCQMOIGXGG-SFHVURJKSA-N	2	1	367.331	3.272	10	30		FGEEMP
C[N@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121165648	494625935	/nfs/dbraw/zinc/62/59/35/494625935.db2.gz	JUHFPXCJJTYMDZ-OAQYLSRUSA-N	2	1	353.466	3.029	10	30		FGEEMP
Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180239675	495920552	/nfs/dbraw/zinc/92/05/52/495920552.db2.gz	KDUAARGHZWFOCQ-HXUWFJFHSA-N	2	1	360.465	3.128	10	30		FGEEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180239675	495920559	/nfs/dbraw/zinc/92/05/59/495920559.db2.gz	KDUAARGHZWFOCQ-HXUWFJFHSA-N	2	1	360.465	3.128	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000178753477	496560707	/nfs/dbraw/zinc/56/07/07/496560707.db2.gz	AFKKAZQSJJCWEX-KRWDZBQOSA-N	2	1	371.872	3.210	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000178753477	496560712	/nfs/dbraw/zinc/56/07/12/496560712.db2.gz	AFKKAZQSJJCWEX-KRWDZBQOSA-N	2	1	371.872	3.210	10	30		FGEEMP
C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000130108346	700796409	/nfs/dbraw/zinc/79/64/09/700796409.db2.gz	LSWMKYNSXSRJRX-QGZVFWFLSA-N	2	1	351.535	3.264	10	30		FGEEMP
C[N@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000121177900	494633772	/nfs/dbraw/zinc/63/37/72/494633772.db2.gz	ZCVAZHVFIZHZEM-NRFANRHFSA-N	2	1	369.534	3.497	10	30		FGEEMP
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000157744429	496542705	/nfs/dbraw/zinc/54/27/05/496542705.db2.gz	ZJQUHRBZDPNQCJ-SFHVURJKSA-N	2	1	366.465	3.083	10	30		FGEEMP
C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000261996509	713716744	/nfs/dbraw/zinc/71/67/44/713716744.db2.gz	SPFHVFUQEKQCFN-UWLZSVRSSA-N	2	1	360.468	3.003	10	30		FGEEMP
C=CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Cl	ZINC000179515022	495623758	/nfs/dbraw/zinc/62/37/58/495623758.db2.gz	RQVPWDHFHNRLDA-INIZCTEOSA-N	2	1	366.933	3.429	10	30		FGEEMP
C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000130108136	700796372	/nfs/dbraw/zinc/79/63/72/700796372.db2.gz	LSWMKYNSXSRJRX-KRWDZBQOSA-N	2	1	351.535	3.264	10	30		FGEEMP
C[N@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000121165486	494626303	/nfs/dbraw/zinc/62/63/03/494626303.db2.gz	JUHFPXCJJTYMDZ-NRFANRHFSA-N	2	1	353.466	3.029	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)[nH+]1	ZINC000156475793	496256194	/nfs/dbraw/zinc/25/61/94/496256194.db2.gz	NLPBFWRGUFLWRO-LJQANCHMSA-N	2	1	350.466	3.465	10	30		FGEEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)[nH+]1	ZINC000156475793	496256199	/nfs/dbraw/zinc/25/61/99/496256199.db2.gz	NLPBFWRGUFLWRO-LJQANCHMSA-N	2	1	350.466	3.465	10	30		FGEEMP
C(#CC[N@H+]1CC[C@@H](Nc2ccccc2)C1)C[NH+]1CC[C@H](Nc2ccccc2)C1	ZINC000225574270	206117574	/nfs/dbraw/zinc/11/75/74/206117574.db2.gz	SQJFXMOBPXEXDV-PSWAGMNNSA-N	2	1	374.532	3.363	10	30		FGEEMP
C(#CC[N@@H+]1CC[C@H](Nc2ccccc2)C1)C[NH+]1CC[C@@H](Nc2ccccc2)C1	ZINC000225574270	206117579	/nfs/dbraw/zinc/11/75/79/206117579.db2.gz	SQJFXMOBPXEXDV-PSWAGMNNSA-N	2	1	374.532	3.363	10	30		FGEEMP
C(#CC[N@H+]1CC[C@H](Nc2ccccc2)C1)C[NH+]1CC[C@@H](Nc2ccccc2)C1	ZINC000225574270	206117584	/nfs/dbraw/zinc/11/75/84/206117584.db2.gz	SQJFXMOBPXEXDV-PSWAGMNNSA-N	2	1	374.532	3.363	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000245935726	497577073	/nfs/dbraw/zinc/57/70/73/497577073.db2.gz	KWCTXMZUIBMAOK-DYVFJYSZSA-N	2	1	371.872	3.208	10	30		FGEEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000245935726	497577079	/nfs/dbraw/zinc/57/70/79/497577079.db2.gz	KWCTXMZUIBMAOK-DYVFJYSZSA-N	2	1	371.872	3.208	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C	ZINC000245909648	497568467	/nfs/dbraw/zinc/56/84/67/497568467.db2.gz	DACFZRSRVCZLII-SJLPKXTDSA-N	2	1	372.538	3.321	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C	ZINC000245909648	497568469	/nfs/dbraw/zinc/56/84/69/497568469.db2.gz	DACFZRSRVCZLII-SJLPKXTDSA-N	2	1	372.538	3.321	10	30		FGEEMP
C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000261996512	713716723	/nfs/dbraw/zinc/71/67/23/713716723.db2.gz	SPFHVFUQEKQCFN-WLIAPVHPSA-N	2	1	360.468	3.003	10	30		FGEEMP
C[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127835	495418226	/nfs/dbraw/zinc/41/82/26/495418226.db2.gz	ADOVMBIAQBCELY-QHCPKHFHSA-N	2	1	363.505	3.436	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C	ZINC000245909643	497568119	/nfs/dbraw/zinc/56/81/19/497568119.db2.gz	DACFZRSRVCZLII-AEFFLSMTSA-N	2	1	372.538	3.321	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C	ZINC000245909643	497568121	/nfs/dbraw/zinc/56/81/21/497568121.db2.gz	DACFZRSRVCZLII-AEFFLSMTSA-N	2	1	372.538	3.321	10	30		FGEEMP
C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S	ZINC000176072435	705570497	/nfs/dbraw/zinc/57/04/97/705570497.db2.gz	AAVOIPJHPVVQNU-MRXNPFEDSA-N	2	1	358.515	3.105	10	30		FGEEMP
C[NH+](C)C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000181421596	496388188	/nfs/dbraw/zinc/38/81/88/496388188.db2.gz	ZSXGXWUTOLKIDW-QHCPKHFHSA-N	2	1	362.521	3.415	10	30		FGEEMP
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000157744567	496543436	/nfs/dbraw/zinc/54/34/36/496543436.db2.gz	ZJQUHRBZDPNQCJ-GOSISDBHSA-N	2	1	366.465	3.083	10	30		FGEEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000182064798	496656411	/nfs/dbraw/zinc/65/64/11/496656411.db2.gz	XCQPGOLLYZZBCB-JOCHJYFZSA-N	2	1	354.542	3.233	10	30		FGEEMP
C[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000106128312	495418915	/nfs/dbraw/zinc/41/89/15/495418915.db2.gz	QUSGSRGKGAVIPT-HSZRJFAPSA-N	2	1	363.505	3.436	10	30		FGEEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177133297	495939909	/nfs/dbraw/zinc/93/99/09/495939909.db2.gz	ZBYDKTQEXOYHKH-INIZCTEOSA-N	2	1	368.443	3.082	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C	ZINC000154576303	495659013	/nfs/dbraw/zinc/65/90/13/495659013.db2.gz	DACFZRSRVCZLII-WMZOPIPTSA-N	2	1	372.538	3.321	10	30		FGEEMP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C	ZINC000154576303	495659020	/nfs/dbraw/zinc/65/90/20/495659020.db2.gz	DACFZRSRVCZLII-WMZOPIPTSA-N	2	1	372.538	3.321	10	30		FGEEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177133309	495940008	/nfs/dbraw/zinc/94/00/08/495940008.db2.gz	ZBYDKTQEXOYHKH-MRXNPFEDSA-N	2	1	368.443	3.082	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1	ZINC000103473962	495239286	/nfs/dbraw/zinc/23/92/86/495239286.db2.gz	UYQKWBZILSWREB-SFHVURJKSA-N	2	1	363.465	3.024	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)[nH+]1	ZINC000103473962	495239289	/nfs/dbraw/zinc/23/92/89/495239289.db2.gz	UYQKWBZILSWREB-SFHVURJKSA-N	2	1	363.465	3.024	10	30		FGEEMP
C[NH+](C)C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000181421612	496388812	/nfs/dbraw/zinc/38/88/12/496388812.db2.gz	ZSXGXWUTOLKIDW-HSZRJFAPSA-N	2	1	362.521	3.415	10	30		FGEEMP
C=CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Cl	ZINC000179515035	495623419	/nfs/dbraw/zinc/62/34/19/495623419.db2.gz	RQVPWDHFHNRLDA-MRXNPFEDSA-N	2	1	366.933	3.429	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)[nH+]1	ZINC000156475668	496255752	/nfs/dbraw/zinc/25/57/52/496255752.db2.gz	NLPBFWRGUFLWRO-IBGZPJMESA-N	2	1	350.466	3.465	10	30		FGEEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)[nH+]1	ZINC000156475668	496255758	/nfs/dbraw/zinc/25/57/58/496255758.db2.gz	NLPBFWRGUFLWRO-IBGZPJMESA-N	2	1	350.466	3.465	10	30		FGEEMP
C=CCC[C@H](C[N@H+]1CCCOCC1)Oc1ccc(C[NH+]2CCCC2)cn1	ZINC000072435615	494174856	/nfs/dbraw/zinc/17/48/56/494174856.db2.gz	BOIQHYAOABMYDT-HXUWFJFHSA-N	2	1	359.514	3.113	10	30		FGEEMP
C(#CC[N@H+]1CC[C@H](Nc2ccccc2)C1)C[NH+]1CC[C@H](Nc2ccccc2)C1	ZINC000225574298	497067521	/nfs/dbraw/zinc/06/75/21/497067521.db2.gz	SQJFXMOBPXEXDV-ZEQRLZLVSA-N	2	1	374.532	3.363	10	30		FGEEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000154558121	495654148	/nfs/dbraw/zinc/65/41/48/495654148.db2.gz	KWCTXMZUIBMAOK-SUMWQHHRSA-N	2	1	371.872	3.208	10	30		FGEEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000154558121	495654151	/nfs/dbraw/zinc/65/41/51/495654151.db2.gz	KWCTXMZUIBMAOK-SUMWQHHRSA-N	2	1	371.872	3.208	10	30		FGEEMP
C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ccc(C[NH+]2CCCC2)cn1	ZINC000072435611	494175371	/nfs/dbraw/zinc/17/53/71/494175371.db2.gz	BOIQHYAOABMYDT-FQEVSTJZSA-N	2	1	359.514	3.113	10	30		FGEEMP