smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1/C=N/O[C@H]1CC[N@H+](C(C)C)C1	ZINC000095592058	185013596	/nfs/dbraw/zinc/01/35/96/185013596.db2.gz	MXLXMHGMSJFPFU-KNGSKEOJSA-N	1	1	262.353	2.528	1	30		CFEFMO
C=CC[NH+]1CCN(c2nc3ccsc3n3cccc23)CC1	ZINC000013755925	136378669	/nfs/dbraw/zinc/37/86/69/136378669.db2.gz	MSVKSHZVXNPCBB-UHFFFAOYSA-N	1	1	298.415	2.857	1	30		CFEFMO
CCCCCCC=C[N+](O)=N[C@@H](COC)[C@H](C)O	ZINC000038139574	174133902	/nfs/dbraw/zinc/13/39/02/174133902.db2.gz	BCPWSYQGYBTINM-DTCMKFPYSA-N	1	1	258.362	2.829	1	30		CFEFMO
N=C(Nc1[nH]cc[nH+]1)Nc1ccc(Cl)c(Cl)c1	ZINC000072116494	176318843	/nfs/dbraw/zinc/31/88/43/176318843.db2.gz	HXHQFVTXMKBQDC-UHFFFAOYSA-N	1	1	270.123	2.775	1	30		CFEFMO
C=C(C)C[N@@H+]1Cc2cccc3c2[C@H](C[C@@H]1C)C(=O)N3	ZINC000006495284	170207083	/nfs/dbraw/zinc/20/70/83/170207083.db2.gz	DBBXHLGHICZSRG-AAEUAGOBSA-N	1	1	256.349	2.893	1	30		CFEFMO
C#CC[N@H+](C)C[C@H](O)COc1ccccc1-c1ccccc1	ZINC000096934638	185132717	/nfs/dbraw/zinc/13/27/17/185132717.db2.gz	FGTBLCDOOFHYRA-KRWDZBQOSA-N	1	1	295.382	2.658	1	30		CFEFMO
C=C(C)C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C(C)C	ZINC000005963285	170163961	/nfs/dbraw/zinc/16/39/61/170163961.db2.gz	BRIYXCPZWZIOPQ-OAHLLOKOSA-N	1	1	285.391	2.746	1	30		CFEFMO
C=CCOc1ccc(Cc2c[nH+]c(N)nc2N)cc1CCC	ZINC000045334469	175360708	/nfs/dbraw/zinc/36/07/08/175360708.db2.gz	DMYRGYZOUQMEOA-UHFFFAOYSA-N	1	1	298.390	2.749	1	30		CFEFMO
CC#CC[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C	ZINC000027555103	171520972	/nfs/dbraw/zinc/52/09/72/171520972.db2.gz	GIOYNGKQYISMBH-KKXDTOCCSA-N	1	1	269.388	2.940	1	30		CFEFMO
CC(C)[C@@H]1CO[C@@H]2[C@@H]([NH2+]1)c1cc(C#N)ccc1OC2(C)C	ZINC000096941839	185134003	/nfs/dbraw/zinc/13/40/03/185134003.db2.gz	UEAMXHLBHHUPSX-CWRNSKLLSA-N	1	1	286.375	2.783	1	30		CFEFMO
CSC(=O)C#CC(C)(C)[N@@H+](C)CCc1ccccc1	ZINC000040380274	174250180	/nfs/dbraw/zinc/25/01/80/174250180.db2.gz	OGQLAPWZUAOZFS-UHFFFAOYSA-N	1	1	275.417	2.833	1	30		CFEFMO
COc1ccc(/C(C[NH2+]C2CCCCC2)=N/O)cc1	ZINC000072183569	176335017	/nfs/dbraw/zinc/33/50/17/176335017.db2.gz	WGHBCMULLZIIQZ-BMRADRMJSA-N	1	1	262.353	2.796	1	30		CFEFMO
C#CC[N@H+](C)C[C@@H](O)COc1ccccc1-c1ccccc1	ZINC000096934639	185132843	/nfs/dbraw/zinc/13/28/43/185132843.db2.gz	FGTBLCDOOFHYRA-QGZVFWFLSA-N	1	1	295.382	2.658	1	30		CFEFMO
Cc1ccc(/C=C2\CC[C@@H](C[NH+]3CCOCC3)C2=O)cc1	ZINC000038779900	174155392	/nfs/dbraw/zinc/15/53/92/174155392.db2.gz	XIKSFHRWHQVHGB-MOKGIYGOSA-N	1	1	285.387	2.690	1	30		CFEFMO
Cc1cccc(O)c1C(=O)C1=CCC[N@@H+]2CCC[C@@H]12	ZINC000049421804	524703386	/nfs/dbraw/zinc/70/33/86/524703386.db2.gz	KNSLYJICIDVPEX-ZDUSSCGKSA-N	1	1	257.333	2.678	1	30		CFEFMO
Cc1cccc(O)c1C(=O)C1=CCC[N@H+]2CCC[C@@H]12	ZINC000049421804	524703398	/nfs/dbraw/zinc/70/33/98/524703398.db2.gz	KNSLYJICIDVPEX-ZDUSSCGKSA-N	1	1	257.333	2.678	1	30		CFEFMO
C[N@H+]1CC[C@@H](O/N=C/c2cccc(C(F)(F)F)c2)C1	ZINC000095586283	185011782	/nfs/dbraw/zinc/01/17/82/185011782.db2.gz	HYWNJOZAWOJPHD-VQGSWFTOSA-N	1	1	272.270	2.760	1	30		CFEFMO
O=C(/C=C/c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)NO	ZINC000072176867	176334136	/nfs/dbraw/zinc/33/41/36/176334136.db2.gz	RKYHGQAGXKTIKE-VQHVLOKHSA-N	1	1	294.354	2.721	1	30		CFEFMO
C=C(C)C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](C(C)C)C1	ZINC000005963200	170163773	/nfs/dbraw/zinc/16/37/73/170163773.db2.gz	SMWYMIBTHHZDNI-HNNXBMFYSA-N	1	1	285.391	2.918	1	30		CFEFMO
C=C(C)C[N@@H+]1Cc2cccc3c2[C@H](C[C@H]1C)C(=O)N3	ZINC000006488662	170205425	/nfs/dbraw/zinc/20/54/25/170205425.db2.gz	DBBXHLGHICZSRG-YPMHNXCESA-N	1	1	256.349	2.893	1	30		CFEFMO
COc1ccccc1/C=N/O[C@@H]1CC[N@H+](C(C)C)C1	ZINC000095592059	185014744	/nfs/dbraw/zinc/01/47/44/185014744.db2.gz	MXLXMHGMSJFPFU-DWKHYPNZSA-N	1	1	262.353	2.528	1	30		CFEFMO
C=C(c1ccccc1)[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C(=O)OC)[N@@H+]2C	ZINC000169362168	188660881	/nfs/dbraw/zinc/66/08/81/188660881.db2.gz	GATQFGAKGHRNMR-LTIDMASMSA-N	1	1	285.387	2.972	1	30		CFEFMO
N/C(=[NH+]\O)N1Cc2cccc3c(Cl)ccc(c23)C1	ZINC000027768498	171532190	/nfs/dbraw/zinc/53/21/90/171532190.db2.gz	IUZMBBCCRGRLDI-UHFFFAOYSA-N	1	1	261.712	2.513	1	30		CFEFMO
C=CC[N@H+]1Cc2c(O)cccc2[C@H](c2ccc(O)c(O)c2)C1	ZINC000045168968	175320049	/nfs/dbraw/zinc/32/00/49/175320049.db2.gz	RIQBKMQFWDPNNU-AWEZNQCLSA-N	1	1	297.354	2.937	1	30		CFEFMO
CCCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000061902310	519891094	/nfs/dbraw/zinc/89/10/94/519891094.db2.gz	OLWGSRDQMHQKPD-SFHVURJKSA-N	1	1	299.418	2.687	3	30		CFEFMO
C=C(C)C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C(C)C	ZINC000005963208	170163448	/nfs/dbraw/zinc/16/34/48/170163448.db2.gz	BRIYXCPZWZIOPQ-HNNXBMFYSA-N	1	1	285.391	2.746	1	30		CFEFMO
C=CC[NH+]1CCN(c2nc3ccccc3n3cccc23)CC1	ZINC000013766164	136378873	/nfs/dbraw/zinc/37/88/73/136378873.db2.gz	UONOIDMXUFHKRP-UHFFFAOYSA-N	1	1	292.386	2.796	1	30		CFEFMO
Cc1ccc(/C=C2\CC[C@H](C[NH+]3CCOCC3)C2=O)cc1	ZINC000038779897	174155468	/nfs/dbraw/zinc/15/54/68/174155468.db2.gz	XIKSFHRWHQVHGB-NWNNTGRJSA-N	1	1	285.387	2.690	1	30		CFEFMO
C[N@H+]1CC[C@H](O/N=C/c2cccc(C(F)(F)F)c2)C1	ZINC000095586282	185012521	/nfs/dbraw/zinc/01/25/21/185012521.db2.gz	HYWNJOZAWOJPHD-OPFCKLNOSA-N	1	1	272.270	2.760	1	30		CFEFMO
C=C(C)C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@@H](C(C)C)C1	ZINC000005963277	170163303	/nfs/dbraw/zinc/16/33/03/170163303.db2.gz	SMWYMIBTHHZDNI-OAHLLOKOSA-N	1	1	285.391	2.918	1	30		CFEFMO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000012489737	527314086	/nfs/dbraw/zinc/31/40/86/527314086.db2.gz	OASDVQSPONGSRY-GRDNDAEWSA-N	1	1	271.360	2.576	1	30		CFEFMO
C=CC[N@H+]1Cc2c(O)cccc2[C@@H](c2ccc(O)c(O)c2)C1	ZINC000045168970	175320042	/nfs/dbraw/zinc/32/00/42/175320042.db2.gz	RIQBKMQFWDPNNU-CQSZACIVSA-N	1	1	297.354	2.937	1	30		CFEFMO
C=C(C)C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](C)C1	ZINC000006488519	170205342	/nfs/dbraw/zinc/20/53/42/170205342.db2.gz	CDEPZSKTKQYQEQ-LLVKDONJSA-N	1	1	257.337	2.695	1	30		CFEFMO
C=C(C)C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](C)C1	ZINC000006488519	170205344	/nfs/dbraw/zinc/20/53/44/170205344.db2.gz	CDEPZSKTKQYQEQ-LLVKDONJSA-N	1	1	257.337	2.695	1	30		CFEFMO
C=CC[NH+]1CCN(c2nc3sccc3n3cccc23)CC1	ZINC000013755960	136378673	/nfs/dbraw/zinc/37/86/73/136378673.db2.gz	RCXDTIWYBMIRHQ-UHFFFAOYSA-N	1	1	298.415	2.857	1	30		CFEFMO