smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H](CN)[NH+]2CCCCC2)cc1	ZINC000032497022	343236205	/nfs/dbraw/zinc/23/62/05/343236205.db2.gz	JRZFNDSCZVTJGQ-HNNXBMFYSA-N	1	1	247.386	2.238	50	10		BECAMO
CC1(C)COCC[N@H+]1Cc1ccccc1O	ZINC000095981485	371370362	/nfs/dbraw/zinc/37/03/62/371370362.db2.gz	MKJYPNARTCHQSE-UHFFFAOYSA-N	1	1	221.300	2.003	50	10		BECAMO
C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)O1	ZINC000023115176	177263233	/nfs/dbraw/zinc/26/32/33/177263233.db2.gz	LNBIUOJXVXIDOK-BETUJISGSA-N	1	1	248.370	2.362	50	10		BECAMO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](O)C1	ZINC000023281509	343777309	/nfs/dbraw/zinc/77/73/09/343777309.db2.gz	GRWOVTMLVYKQCY-NSHDSACASA-N	1	1	241.718	2.002	50	10		BECAMO
CCc1cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c1	ZINC000012336445	342849300	/nfs/dbraw/zinc/84/93/00/342849300.db2.gz	NRFVYJJGFBUXNQ-UHFFFAOYSA-N	1	1	236.359	2.078	50	10		BECAMO
Cc1cc(C(=O)C[NH3+])c(C)n1-c1ccc(F)cc1	ZINC000098063830	384586360	/nfs/dbraw/zinc/58/63/60/384586360.db2.gz	FALFASWDPWMBPR-UHFFFAOYSA-N	1	1	246.285	2.375	50	10		BECAMO
CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000069323062	132390077	/nfs/dbraw/zinc/39/00/77/132390077.db2.gz	JKUHTHXPMNJJGR-UHFFFAOYSA-N	1	1	248.370	2.365	50	10		BECAMO
C[N@H+]1CCCC[C@H]1COc1ccc(N)cc1	ZINC000002538742	173009180	/nfs/dbraw/zinc/00/91/80/173009180.db2.gz	WCUBDONLPUMSJK-LBPRGKRZSA-N	1	1	220.316	2.132	50	10		BECAMO
Cc1cc(O)c(C[N@H+]2CCO[C@H](C)C2)cc1C	ZINC000012942860	178196298	/nfs/dbraw/zinc/19/62/98/178196298.db2.gz	NJHVIQLZAFFDQZ-GFCCVEGCSA-N	1	1	235.327	2.230	50	10		BECAMO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1	ZINC000023281507	356640365	/nfs/dbraw/zinc/64/03/65/356640365.db2.gz	GRWOVTMLVYKQCY-LLVKDONJSA-N	1	1	241.718	2.002	50	10		BECAMO
Oc1ccccc1C[NH2+]CCCN1CCCCC1	ZINC000020128746	183302501	/nfs/dbraw/zinc/30/25/01/183302501.db2.gz	PIOKDYPMYWDIRV-UHFFFAOYSA-N	1	1	248.370	2.358	50	10		BECAMO
CC(C)c1cccc(C[NH+]2CCOCC2)c1O	ZINC000031969697	350174434	/nfs/dbraw/zinc/17/44/34/350174434.db2.gz	GVCOEDFACFPVMR-UHFFFAOYSA-N	1	1	235.327	2.348	50	10		BECAMO
[NH3+]Cc1cc(Cl)c2cccnc2c1O	ZINC000027652957	384905880	/nfs/dbraw/zinc/90/58/80/384905880.db2.gz	SQCZWJHTVFDEGE-UHFFFAOYSA-N	1	1	208.648	2.053	50	10		BECAMO
CCN(CC)c1ccc(CNCCC[NH2+]C)cc1	ZINC000057362402	384943490	/nfs/dbraw/zinc/94/34/90/384943490.db2.gz	SADJFIAWRXKFQP-UHFFFAOYSA-N	1	1	249.402	2.232	50	10		BECAMO
C[N@H+]1CCCC[C@@H]1COc1ccc(N)cc1	ZINC000012351317	173005000	/nfs/dbraw/zinc/00/50/00/173005000.db2.gz	WCUBDONLPUMSJK-GFCCVEGCSA-N	1	1	220.316	2.132	50	10		BECAMO
C[C@H]1C[NH+]=C(Nc2ccc(N)cc2)S1	ZINC000000086382	177281439	/nfs/dbraw/zinc/28/14/39/177281439.db2.gz	OPTCWYRXZDVCIT-ZETCQYMHSA-N	1	1	207.302	2.172	50	10		BECAMO
COC[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000234865488	343794722	/nfs/dbraw/zinc/79/47/22/343794722.db2.gz	WGHFAYOXZZSSCP-NSHDSACASA-N	1	1	220.316	2.132	50	10		BECAMO
COC[C@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000234865488	343794724	/nfs/dbraw/zinc/79/47/24/343794724.db2.gz	WGHFAYOXZZSSCP-NSHDSACASA-N	1	1	220.316	2.132	50	10		BECAMO
CN(C)c1ccc([C@@H](CN)[NH+]2CCCCC2)cc1	ZINC000032497021	343236004	/nfs/dbraw/zinc/23/60/04/343236004.db2.gz	JRZFNDSCZVTJGQ-OAHLLOKOSA-N	1	1	247.386	2.238	50	10		BECAMO
CN(C)CC[N@H+](C)Cc1cc(Cl)ccc1O	ZINC000019632630	384993264	/nfs/dbraw/zinc/99/32/64/384993264.db2.gz	YRZZDSDKMZJWIU-UHFFFAOYSA-N	1	1	242.750	2.039	50	10		BECAMO
CN(C)CC[N@@H+](C)Cc1cc(Cl)ccc1O	ZINC000019632630	384993273	/nfs/dbraw/zinc/99/32/73/384993273.db2.gz	YRZZDSDKMZJWIU-UHFFFAOYSA-N	1	1	242.750	2.039	50	10		BECAMO
C[C@@H]1C[NH+]=C(Nc2ccc(N)cc2)S1	ZINC000000086384	176324663	/nfs/dbraw/zinc/32/46/63/176324663.db2.gz	OPTCWYRXZDVCIT-SSDOTTSWSA-N	1	1	207.302	2.172	50	10		BECAMO
CN(C)c1ccc2c(c1)C[N@H+](CC1CC1)CCO2	ZINC000409420226	344963720	/nfs/dbraw/zinc/96/37/20/344963720.db2.gz	XYANAKDUDZWHND-UHFFFAOYSA-N	1	1	246.354	2.357	50	10		BECAMO
CC[N@H+]1CCC[C@H](Oc2ccc(N)cc2)C1	ZINC000020351857	342982785	/nfs/dbraw/zinc/98/27/85/342982785.db2.gz	PVYJMDBNFADGHY-ZDUSSCGKSA-N	1	1	220.316	2.132	50	10		BECAMO
Cc1cc(=O)oc2c(C)c(O)c(C[NH+](C)C)cc12	ZINC000002138139	351981592	/nfs/dbraw/zinc/98/15/92/351981592.db2.gz	PAXVRKSOMJZBFP-UHFFFAOYSA-N	1	1	247.294	2.177	50	10	biogenic	BECAMO
CCN(CC)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000019632652	384531452	/nfs/dbraw/zinc/53/14/52/384531452.db2.gz	ZTEWRDIKOFWLDY-UHFFFAOYSA-N	1	1	248.370	2.365	50	10		BECAMO
C[N@H+](CC1CCOCC1)c1ccc(N)cc1	ZINC000060393419	385084361	/nfs/dbraw/zinc/08/43/61/385084361.db2.gz	DDISWUXUTFKYBI-UHFFFAOYSA-N	1	1	220.316	2.132	50	10		BECAMO
C[N@@H+](CC1CCOCC1)c1ccc(N)cc1	ZINC000060393419	385084368	/nfs/dbraw/zinc/08/43/68/385084368.db2.gz	DDISWUXUTFKYBI-UHFFFAOYSA-N	1	1	220.316	2.132	50	10		BECAMO
CC[N@H+]1CCC[C@@H](Oc2ccc(N)cc2)C1	ZINC000020351856	342982713	/nfs/dbraw/zinc/98/27/13/342982713.db2.gz	PVYJMDBNFADGHY-CYBMUJFWSA-N	1	1	220.316	2.132	50	10		BECAMO
C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCCC1	ZINC000024044987	384810108	/nfs/dbraw/zinc/81/01/08/384810108.db2.gz	DHOOMPBAHIAQNU-UHFFFAOYSA-N	1	1	249.310	2.495	50	10		BECAMO
CCOC(=O)C1CC[NH+](c2ccc(N)cc2)CC1	ZINC000000169809	535603954	/nfs/dbraw/zinc/60/39/54/535603954.db2.gz	JXCDVJXPSHIHLP-UHFFFAOYSA-N	1	1	248.326	2.048	50	10		BECAMO