smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+](Cc1ccccc1)C1CCNCC1	ZINC000076855553	343367352	/nfs/dbraw/zinc/36/73/52/343367352.db2.gz	ZFQIZMFAWQDHMM-UHFFFAOYSA-N	1	3	232.371	2.649	40	0		BFABHO
CC(C)[N@@H+](Cc1ccccc1)C1CCNCC1	ZINC000076855553	343367356	/nfs/dbraw/zinc/36/73/56/343367356.db2.gz	ZFQIZMFAWQDHMM-UHFFFAOYSA-N	1	3	232.371	2.649	40	0		BFABHO
CC(C)N(Cc1ccccc1)C1CC[NH2+]CC1	ZINC000076855553	343367359	/nfs/dbraw/zinc/36/73/59/343367359.db2.gz	ZFQIZMFAWQDHMM-UHFFFAOYSA-N	1	3	232.371	2.649	40	0		BFABHO
C(CC1CCCCC1)C[N@@H+]1CCCNCC1	ZINC000096523657	187288506	/nfs/dbraw/zinc/28/85/06/187288506.db2.gz	PPENNRAGHQEHBP-UHFFFAOYSA-N	1	3	224.392	2.642	40	0		BFABHO
C(CC1CCCCC1)C[N@H+]1CCCNCC1	ZINC000096523657	187288508	/nfs/dbraw/zinc/28/85/08/187288508.db2.gz	PPENNRAGHQEHBP-UHFFFAOYSA-N	1	3	224.392	2.642	40	0		BFABHO
C([C@H]1CCCCN1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1	ZINC000108275813	369385108	/nfs/dbraw/zinc/38/51/08/369385108.db2.gz	SMFJJXNFNWYQPN-RBSFLKMASA-N	1	3	236.403	2.641	40	0		BFABHO
C([C@H]1CCCCN1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1	ZINC000108275813	369385111	/nfs/dbraw/zinc/38/51/11/369385111.db2.gz	SMFJJXNFNWYQPN-RBSFLKMASA-N	1	3	236.403	2.641	40	0		BFABHO
C[C@H]([NH2+][C@H]1CCCC[C@H]1N)c1ccccc1	ZINC000143112375	374136275	/nfs/dbraw/zinc/13/62/75/374136275.db2.gz	QQTZYYSHFALROI-YUTCNCBUSA-N	1	3	218.344	2.607	40	0		BFABHO
CC(C)[C@H]([NH3+])CCN1CC[C@@H]2CCCC[C@@H]2C1	ZINC000096523816	385266358	/nfs/dbraw/zinc/26/63/58/385266358.db2.gz	MLVPZLPJAZYUCD-RRFJBIMHSA-N	1	3	238.419	2.872	40	0		BFABHO
CCc1ccc2nc(C)cc(NCCC[NH3+])c2c1	ZINC000222686175	386058900	/nfs/dbraw/zinc/05/89/00/386058900.db2.gz	DOBAMLGEVKPAKC-UHFFFAOYSA-N	1	3	243.354	2.866	40	0		BFABHO
Cc1cc(NCCC[NH3+])c2c(C)ccc(C)c2n1	ZINC000222685364	178159476	/nfs/dbraw/zinc/15/94/76/178159476.db2.gz	GZEXEHAQCWEVJD-UHFFFAOYSA-N	1	3	243.354	2.921	40	0		BFABHO
CC(C)[C@@H]([NH3+])CCN1CC[C@@H]2CCCC[C@@H]2C1	ZINC000096523817	385266678	/nfs/dbraw/zinc/26/66/78/385266678.db2.gz	MLVPZLPJAZYUCD-ZNMIVQPWSA-N	1	3	238.419	2.872	40	0		BFABHO
Cc1cc(C)c2nccc(NCCC[NH3+])c2c1	ZINC000222676749	386059560	/nfs/dbraw/zinc/05/95/60/386059560.db2.gz	CPQGUSRUJSFDKE-UHFFFAOYSA-N	1	3	229.327	2.612	40	0		BFABHO
CC(C)[C@H]([NH3+])CCN1CC[C@H]2CCCC[C@H]2C1	ZINC000251322003	388642562	/nfs/dbraw/zinc/64/25/62/388642562.db2.gz	MLVPZLPJAZYUCD-QLFBSQMISA-N	1	3	238.419	2.872	40	0		BFABHO
C[NH2+]CCCNc1cc(C)nc2ccc(C)cc21	ZINC000222684642	173349556	/nfs/dbraw/zinc/34/95/56/173349556.db2.gz	NTTSINQXXDLTMB-UHFFFAOYSA-N	1	3	243.354	2.873	40	0		BFABHO
C[NH2+]CCCNc1cc(C)nc2ccccc21	ZINC000222684226	173349787	/nfs/dbraw/zinc/34/97/87/173349787.db2.gz	FDKOYZKCGGWOHE-UHFFFAOYSA-N	1	3	229.327	2.565	40	0		BFABHO
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1N)c1ccccc1	ZINC000147095413	487948520	/nfs/dbraw/zinc/94/85/20/487948520.db2.gz	QQTZYYSHFALROI-KWCYVHTRSA-N	1	3	218.344	2.607	40	0		BFABHO
C(=C/c1ccccc1)\CC[NH2+]C[C@@H]1CCCNC1	ZINC000079440056	188312286	/nfs/dbraw/zinc/31/22/86/188312286.db2.gz	DYFHFGUXETYWEU-UFNQUYMESA-N	1	3	244.382	2.679	40	0		BFABHO
CC(C)N(Cc1ccccc1)C[C@@H]1CC[NH2+]C1	ZINC000051889895	383844465	/nfs/dbraw/zinc/84/44/65/383844465.db2.gz	FWAOJFGDTNTJHN-OAHLLOKOSA-N	1	3	232.371	2.507	40	0		BFABHO
CCN(CC)CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1	ZINC000001682900	342708852	/nfs/dbraw/zinc/70/88/52/342708852.db2.gz	NVGQUWPDTMATND-GASCZTMLSA-N	1	3	236.403	2.616	40	0		BFABHO
CCN(CC)CCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1	ZINC000001682900	342708853	/nfs/dbraw/zinc/70/88/53/342708853.db2.gz	NVGQUWPDTMATND-GASCZTMLSA-N	1	3	236.403	2.616	40	0		BFABHO
CCc1cccc2c(NCCC[NH3+])cc(C)nc12	ZINC000222685898	386059081	/nfs/dbraw/zinc/05/90/81/386059081.db2.gz	VIDADXCXDZCUNA-UHFFFAOYSA-N	1	3	243.354	2.866	40	0		BFABHO
[NH3+]C[C@@H]1CCCN(CC/C=C/c2ccccc2)C1	ZINC000079439941	387855119	/nfs/dbraw/zinc/85/51/19/387855119.db2.gz	WDEPYOVOHZGLFB-UFNQUYMESA-N	1	3	244.382	2.761	40	0		BFABHO
NC[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1	ZINC000079439941	387855123	/nfs/dbraw/zinc/85/51/23/387855123.db2.gz	WDEPYOVOHZGLFB-UFNQUYMESA-N	1	3	244.382	2.761	40	0		BFABHO
NC[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1	ZINC000079439941	387855127	/nfs/dbraw/zinc/85/51/27/387855127.db2.gz	WDEPYOVOHZGLFB-UFNQUYMESA-N	1	3	244.382	2.761	40	0		BFABHO
C([C@H]1CCCCN1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000216241950	388354538	/nfs/dbraw/zinc/35/45/38/388354538.db2.gz	SMFJJXNFNWYQPN-RRFJBIMHSA-N	1	3	236.403	2.641	40	0		BFABHO
C([C@H]1CCCCN1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000216241950	388354539	/nfs/dbraw/zinc/35/45/39/388354539.db2.gz	SMFJJXNFNWYQPN-RRFJBIMHSA-N	1	3	236.403	2.641	40	0		BFABHO
N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1	ZINC000072411152	388639840	/nfs/dbraw/zinc/63/98/40/388639840.db2.gz	JHYUHPXZSRIESE-OLZOCXBDSA-N	1	3	238.762	2.700	40	0		BFABHO
COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N)cc1	ZINC000218868700	175189119	/nfs/dbraw/zinc/18/91/19/175189119.db2.gz	VQTRNMZJWYDLFO-TUKIKUTGSA-N	1	3	248.370	2.616	40	0		BFABHO
C(=C\C[NH+]1CCCCC1)\CN1CCCCC1	ZINC000005823736	342770590	/nfs/dbraw/zinc/77/05/90/342770590.db2.gz	GGMZNKPVYRGGPT-FPLPWBNLSA-N	1	3	222.376	2.514	40	0		BFABHO
COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N)cc1	ZINC000242688501	388400619	/nfs/dbraw/zinc/40/06/19/388400619.db2.gz	VQTRNMZJWYDLFO-GLQYFDAESA-N	1	3	248.370	2.616	40	0		BFABHO
CCCC[NH+](CCCC)CC[C@@H](C)N	ZINC000020485094	388611299	/nfs/dbraw/zinc/61/12/99/388611299.db2.gz	KAYRTSALKIVJJN-GFCCVEGCSA-N	1	3	200.370	2.626	40	0		BFABHO
C[NH2+]CCCNc1cc(C)nc2c(C)cccc12	ZINC000222684475	173349891	/nfs/dbraw/zinc/34/98/91/173349891.db2.gz	RGEBNRQEFZDAHS-UHFFFAOYSA-N	1	3	243.354	2.873	40	0		BFABHO
CCN(CC)CCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000001676239	342708246	/nfs/dbraw/zinc/70/82/46/342708246.db2.gz	JPQGOWFNIVVTHE-GASCZTMLSA-N	1	3	238.419	2.840	40	0		BFABHO
CCN(CC)CCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000001676239	342708247	/nfs/dbraw/zinc/70/82/47/342708247.db2.gz	JPQGOWFNIVVTHE-GASCZTMLSA-N	1	3	238.419	2.840	40	0		BFABHO
CCN(CC)CCC[NH+]1C[C@@H]2CC=CC[C@H]2C1	ZINC000001682902	342708698	/nfs/dbraw/zinc/70/86/98/342708698.db2.gz	NVGQUWPDTMATND-GJZGRUSLSA-N	1	3	236.403	2.616	40	0		BFABHO
CC(C)[C@H]([NH3+])CCN1CC[C@H]2CCCC[C@@H]2C1	ZINC000110764201	369978473	/nfs/dbraw/zinc/97/84/73/369978473.db2.gz	MLVPZLPJAZYUCD-RBSFLKMASA-N	1	3	238.419	2.872	40	0		BFABHO
N[C@H]1CCC[N@H+](CCCC2CCCCC2)C1	ZINC000096523556	385268848	/nfs/dbraw/zinc/26/88/48/385268848.db2.gz	XWXZLCLTCUMICJ-AWEZNQCLSA-N	1	3	224.392	2.770	40	0		BFABHO
N[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1	ZINC000096523556	385268852	/nfs/dbraw/zinc/26/88/52/385268852.db2.gz	XWXZLCLTCUMICJ-AWEZNQCLSA-N	1	3	224.392	2.770	40	0		BFABHO
N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1	ZINC000072411150	388639831	/nfs/dbraw/zinc/63/98/31/388639831.db2.gz	JHYUHPXZSRIESE-CHWSQXEVSA-N	1	3	238.762	2.700	40	0		BFABHO
C([C@H]1CCCCN1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1	ZINC000252470047	388652286	/nfs/dbraw/zinc/65/22/86/388652286.db2.gz	SMFJJXNFNWYQPN-QLFBSQMISA-N	1	3	236.403	2.641	40	0		BFABHO
C([C@H]1CCCCN1)[N@H+]1CC[C@H]2CCCC[C@H]2C1	ZINC000252470047	388652288	/nfs/dbraw/zinc/65/22/88/388652288.db2.gz	SMFJJXNFNWYQPN-QLFBSQMISA-N	1	3	236.403	2.641	40	0		BFABHO
C(/C=C\C=C/N1CCCCC1)=[N+]1CCCCC1	ZINC000016982274	166226064	/nfs/dbraw/zinc/22/60/64/166226064.db2.gz	GHJAWCTZTQSLLU-UHFFFAOYSA-N	1	3	233.379	2.809	40	0		BFABHO
C[NH2+]CCCNc1ccnc2c(C)cccc12	ZINC000222676214	173349460	/nfs/dbraw/zinc/34/94/60/173349460.db2.gz	DCBYBRXXGNBDSF-UHFFFAOYSA-N	1	3	229.327	2.565	40	0		BFABHO
Cc1cc(NCCC[NH3+])c2ccc(C)c(C)c2n1	ZINC000222684827	178159387	/nfs/dbraw/zinc/15/93/87/178159387.db2.gz	GDXVHSWRVFQOCB-UHFFFAOYSA-N	1	3	243.354	2.921	40	0		BFABHO
[NH3+]CCCn1c2ccccc2c2cnccc21	ZINC000001697600	181389341	/nfs/dbraw/zinc/38/93/41/181389341.db2.gz	YYOVUENFJVUHID-UHFFFAOYSA-N	1	3	225.295	2.538	40	0		BFABHO
CCc1cccc2c(NCCC[NH3+])ccnc12	ZINC000222677534	386058171	/nfs/dbraw/zinc/05/81/71/386058171.db2.gz	QHPPDRXIZPRNHY-UHFFFAOYSA-N	1	3	229.327	2.558	40	0		BFABHO
Cc1cc(C)c2nc(C)cc(NCC[NH3+])c2c1	ZINC000222685010	386058852	/nfs/dbraw/zinc/05/88/52/386058852.db2.gz	YGGORGRPXSJRBZ-UHFFFAOYSA-N	1	3	229.327	2.531	40	0		BFABHO
CCc1ccc2nccc(NCCC[NH2+]C)c2c1	ZINC000222677903	386058883	/nfs/dbraw/zinc/05/88/83/386058883.db2.gz	QEJFSTDVBVCLRS-UHFFFAOYSA-N	1	3	243.354	2.819	40	0		BFABHO
CCc1ccc2nccc(NCCC[NH3+])c2c1	ZINC000222677810	386059753	/nfs/dbraw/zinc/05/97/53/386059753.db2.gz	YWJYSPHPLPKXSJ-UHFFFAOYSA-N	1	3	229.327	2.558	40	0		BFABHO
CC(C)[C@@H](N)CC[N@H+](C)C1CCCCC1	ZINC000058058256	388374396	/nfs/dbraw/zinc/37/43/96/388374396.db2.gz	GYWLGCSROGMVQV-ZDUSSCGKSA-N	1	3	212.381	2.624	40	0		BFABHO
CC(C)[C@@H](N)CC[N@@H+](C)C1CCCCC1	ZINC000058058256	388374400	/nfs/dbraw/zinc/37/44/00/388374400.db2.gz	GYWLGCSROGMVQV-ZDUSSCGKSA-N	1	3	212.381	2.624	40	0		BFABHO
CCCC[NH+](CCCC)CC[C@H](C)N	ZINC000020485097	388773380	/nfs/dbraw/zinc/77/33/80/388773380.db2.gz	KAYRTSALKIVJJN-LBPRGKRZSA-N	1	3	200.370	2.626	40	0		BFABHO
C[NH2+]CCCNc1ccnc2cc(C)cc(C)c21	ZINC000222677355	173350018	/nfs/dbraw/zinc/35/00/18/173350018.db2.gz	RCVMCUWZMRIMCR-UHFFFAOYSA-N	1	3	243.354	2.873	40	0		BFABHO
COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2N)cc1	ZINC000218868633	175176603	/nfs/dbraw/zinc/17/66/03/175176603.db2.gz	VQTRNMZJWYDLFO-BYCMXARLSA-N	1	3	248.370	2.616	40	0		BFABHO
COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2N)cc1	ZINC000218868763	175177616	/nfs/dbraw/zinc/17/76/16/175177616.db2.gz	VQTRNMZJWYDLFO-UGFHNGPFSA-N	1	3	248.370	2.616	40	0		BFABHO
CC(C)C[NH+](CC[C@@H](N)C(C)C)CC(C)C	ZINC000096523809	343758627	/nfs/dbraw/zinc/75/86/27/343758627.db2.gz	DNAOFHBHBSLTNN-CQSZACIVSA-N	1	3	228.424	2.974	40	0		BFABHO
C(=C/c1ccccc1)\CC[NH2+]C[C@H]1CCCNC1	ZINC000079440059	187281271	/nfs/dbraw/zinc/28/12/71/187281271.db2.gz	DYFHFGUXETYWEU-VCIFKONDSA-N	1	3	244.382	2.679	40	0		BFABHO
CC(C)N(Cc1ccccc1)C[C@H]1CC[NH2+]C1	ZINC000051889897	188299987	/nfs/dbraw/zinc/29/99/87/188299987.db2.gz	FWAOJFGDTNTJHN-HNNXBMFYSA-N	1	3	232.371	2.507	40	0		BFABHO
CC(C)[C@@H](N)CC[NH+]1CCCCCCC1	ZINC000096523797	385268650	/nfs/dbraw/zinc/26/86/50/385268650.db2.gz	IHAOFQVIIGSAGN-ZDUSSCGKSA-N	1	3	212.381	2.626	40	0		BFABHO
Cc1cc(C)c2nc(C)cc(NCCC[NH3+])c2c1	ZINC000222685099	386059504	/nfs/dbraw/zinc/05/95/04/386059504.db2.gz	QPUZJCZFRHCFJQ-UHFFFAOYSA-N	1	3	243.354	2.921	40	0		BFABHO
N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1	ZINC000072411168	388639800	/nfs/dbraw/zinc/63/98/00/388639800.db2.gz	FBVLDSYXYDSPMZ-OLZOCXBDSA-N	1	3	238.762	2.700	40	0		BFABHO
N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1	ZINC000072411148	388639888	/nfs/dbraw/zinc/63/98/88/388639888.db2.gz	JHYUHPXZSRIESE-STQMWFEESA-N	1	3	238.762	2.700	40	0		BFABHO
CC(C)[C@H]([NH3+])CCN1CC[C@@H]2CCCC[C@H]2C1	ZINC000251322004	388642930	/nfs/dbraw/zinc/64/29/30/388642930.db2.gz	MLVPZLPJAZYUCD-SOUVJXGZSA-N	1	3	238.419	2.872	40	0		BFABHO
CCN(CC)CCC[NH+]1C[C@H]2CC=CC[C@@H]2C1	ZINC000001682901	342708735	/nfs/dbraw/zinc/70/87/35/342708735.db2.gz	NVGQUWPDTMATND-HUUCEWRRSA-N	1	3	236.403	2.616	40	0		BFABHO
C[C@@H]([NH2+][C@H]1CCCC[C@@H]1N)c1ccccc1	ZINC000145838461	344685809	/nfs/dbraw/zinc/68/58/09/344685809.db2.gz	QQTZYYSHFALROI-XBFCOCLRSA-N	1	3	218.344	2.607	40	0		BFABHO
CCCCc1ccc2nccc(NCC[NH3+])c2c1	ZINC000222683052	169024691	/nfs/dbraw/zinc/02/46/91/169024691.db2.gz	REWRRDXNOYSISP-UHFFFAOYSA-N	1	3	243.354	2.948	40	0		BFABHO
Cc1ccc(C)c2c(NCCC[NH3+])ccnc12	ZINC000222677011	386058469	/nfs/dbraw/zinc/05/84/69/386058469.db2.gz	KYLMMTMQCUXJMM-UHFFFAOYSA-N	1	3	229.327	2.612	40	0		BFABHO
N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1	ZINC000072411166	388639854	/nfs/dbraw/zinc/63/98/54/388639854.db2.gz	FBVLDSYXYDSPMZ-CHWSQXEVSA-N	1	3	238.762	2.700	40	0		BFABHO
C([C@H]1CCCCN1)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1	ZINC000252470048	388652941	/nfs/dbraw/zinc/65/29/41/388652941.db2.gz	SMFJJXNFNWYQPN-SOUVJXGZSA-N	1	3	236.403	2.641	40	0		BFABHO
C([C@H]1CCCCN1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1	ZINC000252470048	388652944	/nfs/dbraw/zinc/65/29/44/388652944.db2.gz	SMFJJXNFNWYQPN-SOUVJXGZSA-N	1	3	236.403	2.641	40	0		BFABHO
C[NH2+]CCCNc1ccnc2c(C)cc(C)cc12	ZINC000222676836	173349945	/nfs/dbraw/zinc/34/99/45/173349945.db2.gz	JUMDPLQRBLPHPA-UHFFFAOYSA-N	1	3	243.354	2.873	40	0		BFABHO
C[NH2+]CCCNc1ccnc2c(C)c(C)ccc12	ZINC000222676573	173349982	/nfs/dbraw/zinc/34/99/82/173349982.db2.gz	PQPOMKSLWUECDM-UHFFFAOYSA-N	1	3	243.354	2.873	40	0		BFABHO
N[C@@H]1CCC[N@H+](CCCC2CCCCC2)C1	ZINC000096523557	385267321	/nfs/dbraw/zinc/26/73/21/385267321.db2.gz	XWXZLCLTCUMICJ-CQSZACIVSA-N	1	3	224.392	2.770	40	0		BFABHO
N[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1	ZINC000096523557	385267324	/nfs/dbraw/zinc/26/73/24/385267324.db2.gz	XWXZLCLTCUMICJ-CQSZACIVSA-N	1	3	224.392	2.770	40	0		BFABHO
Cc1cc(C)c2c(c1)nc(C)cc2NCC[NH3+]	ZINC000222685553	386058684	/nfs/dbraw/zinc/05/86/84/386058684.db2.gz	GHYZHVVYOHHDQA-UHFFFAOYSA-N	1	3	229.327	2.531	40	0		BFABHO
CCN(CC)CCC[NH+]1C[C@@H]2CCCC[C@H]2C1	ZINC000001676241	342708200	/nfs/dbraw/zinc/70/82/00/342708200.db2.gz	JPQGOWFNIVVTHE-GJZGRUSLSA-N	1	3	238.419	2.840	40	0		BFABHO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1N)c1ccccc1	ZINC000145838646	259324728	/nfs/dbraw/zinc/32/47/28/259324728.db2.gz	QQTZYYSHFALROI-UBHSHLNASA-N	1	3	218.344	2.607	40	0		BFABHO
Cc1cc(NCCC[NH3+])c2cccc(C)c2n1	ZINC000222684413	178159096	/nfs/dbraw/zinc/15/90/96/178159096.db2.gz	VOQQEZKSIXAPRH-UHFFFAOYSA-N	1	3	229.327	2.612	40	0		BFABHO
Cc1cc(NCC[NH3+])c2ccc(C)c(C)c2n1	ZINC000222684739	178160952	/nfs/dbraw/zinc/16/09/52/178160952.db2.gz	HUFSHTHHPHCKGG-UHFFFAOYSA-N	1	3	229.327	2.531	40	0		BFABHO
C([C@@H]1CCCCN1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000036810187	347776164	/nfs/dbraw/zinc/77/61/64/347776164.db2.gz	SMFJJXNFNWYQPN-ZNMIVQPWSA-N	1	3	236.403	2.641	40	0		BFABHO
C([C@@H]1CCCCN1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000036810187	347776166	/nfs/dbraw/zinc/77/61/66/347776166.db2.gz	SMFJJXNFNWYQPN-ZNMIVQPWSA-N	1	3	236.403	2.641	40	0		BFABHO
CC(C)[C@@H]([NH3+])CCN(C)CCc1ccccc1	ZINC000096523831	385268914	/nfs/dbraw/zinc/26/89/14/385268914.db2.gz	GHYFDUBQJPQCED-HNNXBMFYSA-N	1	3	234.387	2.534	40	0		BFABHO
Cc1cc(C)c2c(c1)nc(C)cc2NCCC[NH3+]	ZINC000222685630	386059238	/nfs/dbraw/zinc/05/92/38/386059238.db2.gz	KABONNTXMIUBGI-UHFFFAOYSA-N	1	3	243.354	2.921	40	0		BFABHO
N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1	ZINC000072411146	388639878	/nfs/dbraw/zinc/63/98/78/388639878.db2.gz	JHYUHPXZSRIESE-QWHCGFSZSA-N	1	3	238.762	2.700	40	0		BFABHO
N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1	ZINC000072411164	388639883	/nfs/dbraw/zinc/63/98/83/388639883.db2.gz	FBVLDSYXYDSPMZ-STQMWFEESA-N	1	3	238.762	2.700	40	0		BFABHO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N)c1ccccc1	ZINC000147095213	398096871	/nfs/dbraw/zinc/09/68/71/398096871.db2.gz	QQTZYYSHFALROI-FPMFFAJLSA-N	1	3	218.344	2.607	40	0		BFABHO
Cc1ccc2nc(C)cc(NCCC[NH3+])c2c1	ZINC000222684564	386059173	/nfs/dbraw/zinc/05/91/73/386059173.db2.gz	RNQXNZNEDDUDOC-UHFFFAOYSA-N	1	3	229.327	2.612	40	0		BFABHO
CCc1cccc2c(NCCC[NH2+]C)ccnc12	ZINC000222677632	386059954	/nfs/dbraw/zinc/05/99/54/386059954.db2.gz	HGUIEJOISHCNOO-UHFFFAOYSA-N	1	3	243.354	2.819	40	0		BFABHO
N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1	ZINC000072411161	388639862	/nfs/dbraw/zinc/63/98/62/388639862.db2.gz	FBVLDSYXYDSPMZ-QWHCGFSZSA-N	1	3	238.762	2.700	40	0		BFABHO
C[NH2+]CCC1CCN(Cc2cccs2)CC1	ZINC000015424037	173342564	/nfs/dbraw/zinc/34/25/64/173342564.db2.gz	QHYQSSXPIMNFRS-UHFFFAOYSA-N	1	3	238.400	2.570	40	0		BFABHO
C[NH2+]CCCNc1ccnc2ccc(C)cc21	ZINC000222676311	173349658	/nfs/dbraw/zinc/34/96/58/173349658.db2.gz	YCKDTGFWRKNKAL-UHFFFAOYSA-N	1	3	229.327	2.565	40	0		BFABHO
Cc1cc(NCC[NH3+])c2c(C)ccc(C)c2n1	ZINC000222685280	178161031	/nfs/dbraw/zinc/16/10/31/178161031.db2.gz	MREHNQVMGDMXIQ-UHFFFAOYSA-N	1	3	229.327	2.531	40	0		BFABHO
Cc1cc(NCC[NH3+])c2c(Cl)ccc(C)c2n1	ZINC000222688706	178161520	/nfs/dbraw/zinc/16/15/20/178161520.db2.gz	XDDZODPJHYHMCM-UHFFFAOYSA-N	1	3	249.745	2.876	40	0		BFABHO
CC(C)N(Cc1ccccc1)C[C@H]1CCC[NH2+]C1	ZINC000020072401	343263453	/nfs/dbraw/zinc/26/34/53/343263453.db2.gz	XOCIXSPXICDNGC-INIZCTEOSA-N	1	3	246.398	2.897	40	0		BFABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1	ZINC000020072401	343263456	/nfs/dbraw/zinc/26/34/56/343263456.db2.gz	XOCIXSPXICDNGC-INIZCTEOSA-N	1	3	246.398	2.897	40	0		BFABHO
CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCNC1	ZINC000020072401	343263458	/nfs/dbraw/zinc/26/34/58/343263458.db2.gz	XOCIXSPXICDNGC-INIZCTEOSA-N	1	3	246.398	2.897	40	0		BFABHO
C[NH+](C)CCCNCc1cccc2ccccc21	ZINC000057360164	384943816	/nfs/dbraw/zinc/94/38/16/384943816.db2.gz	SZBHSLSSGIAQIQ-UHFFFAOYSA-N	1	3	242.366	2.881	40	0		BFABHO
CC(C)[C@H](N)CC[NH+]1CCCCCCC1	ZINC000096523796	385268774	/nfs/dbraw/zinc/26/87/74/385268774.db2.gz	IHAOFQVIIGSAGN-CYBMUJFWSA-N	1	3	212.381	2.626	40	0		BFABHO
CC(C)N(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1	ZINC000020072398	385270723	/nfs/dbraw/zinc/27/07/23/385270723.db2.gz	XOCIXSPXICDNGC-MRXNPFEDSA-N	1	3	246.398	2.897	40	0		BFABHO
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1	ZINC000020072398	385270728	/nfs/dbraw/zinc/27/07/28/385270728.db2.gz	XOCIXSPXICDNGC-MRXNPFEDSA-N	1	3	246.398	2.897	40	0		BFABHO
CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1	ZINC000020072398	385270731	/nfs/dbraw/zinc/27/07/31/385270731.db2.gz	XOCIXSPXICDNGC-MRXNPFEDSA-N	1	3	246.398	2.897	40	0		BFABHO
Cc1ccc2c(NCCC[NH3+])ccnc2c1C	ZINC000222676470	386058537	/nfs/dbraw/zinc/05/85/37/386058537.db2.gz	YUYSBAKEEABLHP-UHFFFAOYSA-N	1	3	229.327	2.612	40	0		BFABHO
CC(C)c1ccc2nccc(NCC[NH3+])c2c1	ZINC000222678011	386058982	/nfs/dbraw/zinc/05/89/82/386058982.db2.gz	SQLSORLZMCOXER-UHFFFAOYSA-N	1	3	229.327	2.729	40	0		BFABHO
CC(C)C[NH+](CC[C@H](N)C(C)C)CC(C)C	ZINC000096523808	166958231	/nfs/dbraw/zinc/95/82/31/166958231.db2.gz	DNAOFHBHBSLTNN-AWEZNQCLSA-N	1	3	228.424	2.974	40	0		BFABHO
CCN(CC)CCC[NH+]1C[C@H]2CCCC[C@@H]2C1	ZINC000001676240	342708235	/nfs/dbraw/zinc/70/82/35/342708235.db2.gz	JPQGOWFNIVVTHE-HUUCEWRRSA-N	1	3	238.419	2.840	40	0		BFABHO
CC(C)[C@H]([NH3+])CCN(C)CCc1ccccc1	ZINC000096523830	385268620	/nfs/dbraw/zinc/26/86/20/385268620.db2.gz	GHYFDUBQJPQCED-OAHLLOKOSA-N	1	3	234.387	2.534	40	0		BFABHO
COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1	ZINC000242688503	388400868	/nfs/dbraw/zinc/40/08/68/388400868.db2.gz	VQTRNMZJWYDLFO-NILFDRSVSA-N	1	3	248.370	2.616	40	0		BFABHO
COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N)cc1	ZINC000218868818	175190088	/nfs/dbraw/zinc/19/00/88/175190088.db2.gz	VQTRNMZJWYDLFO-CQDKDKBSSA-N	1	3	248.370	2.616	40	0		BFABHO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1	ZINC000252516239	259325987	/nfs/dbraw/zinc/32/59/87/259325987.db2.gz	QQTZYYSHFALROI-IACUBPJLSA-N	1	3	218.344	2.607	40	0		BFABHO
CC(C)[C@H](N)CC[N@H+](C)C1CCCCC1	ZINC000058058253	385513562	/nfs/dbraw/zinc/51/35/62/385513562.db2.gz	GYWLGCSROGMVQV-CYBMUJFWSA-N	1	3	212.381	2.624	40	0		BFABHO
CC(C)[C@H](N)CC[N@@H+](C)C1CCCCC1	ZINC000058058253	385513568	/nfs/dbraw/zinc/51/35/68/385513568.db2.gz	GYWLGCSROGMVQV-CYBMUJFWSA-N	1	3	212.381	2.624	40	0		BFABHO
CCN(CC[C@@H]([NH3+])C(C)C)Cc1ccccc1	ZINC000058058236	385514039	/nfs/dbraw/zinc/51/40/39/385514039.db2.gz	TVTZHNLICJZNAD-OAHLLOKOSA-N	1	3	234.387	2.882	40	0		BFABHO
Cc1cc(C)c2c(c1)nccc2NCCC[NH3+]	ZINC000222677272	386059593	/nfs/dbraw/zinc/05/95/93/386059593.db2.gz	ZWKNQAVCYHZABK-UHFFFAOYSA-N	1	3	229.327	2.612	40	0		BFABHO
[NH3+]C[C@H]1CCCN(CC/C=C/c2ccccc2)C1	ZINC000079439936	387854996	/nfs/dbraw/zinc/85/49/96/387854996.db2.gz	WDEPYOVOHZGLFB-VCIFKONDSA-N	1	3	244.382	2.761	40	0		BFABHO
NC[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1	ZINC000079439936	387854997	/nfs/dbraw/zinc/85/49/97/387854997.db2.gz	WDEPYOVOHZGLFB-VCIFKONDSA-N	1	3	244.382	2.761	40	0		BFABHO
NC[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1	ZINC000079439936	387855001	/nfs/dbraw/zinc/85/50/01/387855001.db2.gz	WDEPYOVOHZGLFB-VCIFKONDSA-N	1	3	244.382	2.761	40	0		BFABHO
CCN(CC[C@H]([NH3+])C(C)C)Cc1ccccc1	ZINC000058058234	388374090	/nfs/dbraw/zinc/37/40/90/388374090.db2.gz	TVTZHNLICJZNAD-HNNXBMFYSA-N	1	3	234.387	2.882	40	0		BFABHO
C[NH2+]CCCNc1ccnc2c(C)ccc(C)c12	ZINC000222677090	173349719	/nfs/dbraw/zinc/34/97/19/173349719.db2.gz	KWYSTAIWTLOJPW-UHFFFAOYSA-N	1	3	243.354	2.873	40	0		BFABHO