smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH2+]CC2)cc1	157604	536704322	/nfs/dbraw/zinc/70/43/22/536704322.db2.gz	MRDGZSKYFPGAKP-UHFFFAOYSA-N	1	0	192.262	1.105	50	10	in-vitro	ADCARO
Oc1ccc([C@H]2CC[NH2+]C2)cc1O	71482725	572826628	/nfs/dbraw/zinc/82/66/28/572826628.db2.gz	CAAHVVMNMWDZNQ-QMMMGPOBSA-N	1	0	179.219	1.175	50	10		ADCARO
CCN1CCc2cc(C[NH3+])ccc21	238243970	573002307	/nfs/dbraw/zinc/00/23/07/573002307.db2.gz	OLVAFKNXBLPWMO-UHFFFAOYSA-N	1	0	176.263	1.528	50	10		ADCARO
C[NH+]1CCN(c2ccc(N)cc2)CC1	166196	132178395	/nfs/dbraw/zinc/17/83/95/132178395.db2.gz	MOZNZNKHRXRLLF-UHFFFAOYSA-N	1	0	191.278	1.021	50	10		ADCARO
CCN1CCCc2cc(C[NH3+])ccc21	3882748	132180218	/nfs/dbraw/zinc/18/02/18/132180218.db2.gz	NFTYECIALPNPKY-UHFFFAOYSA-N	1	0	190.290	1.918	50	10	in-vitro	ADCARO
CN1CCCc2cc(C[NH3+])ccc21	4992594	132180278	/nfs/dbraw/zinc/18/02/78/132180278.db2.gz	YWWOJPNCKNCDOR-UHFFFAOYSA-N	1	0	176.263	1.528	50	10	in-vitro	ADCARO
C[NH2+]Cc1ccc2c(c1)CCCN2C	12359627	132182751	/nfs/dbraw/zinc/18/27/51/132182751.db2.gz	OHBYUIJYWIIRTE-UHFFFAOYSA-N	1	0	190.290	1.788	50	10	in-vitro	ADCARO
CCC1=[N+](C)CCn2c(C)ccc21	245883	342932049	/nfs/dbraw/zinc/93/20/49/342932049.db2.gz	RQFCFFXTMBSPAH-UHFFFAOYSA-N	1	0	177.271	1.652	50	10		ADCARO
CC1=[N+](C)CCn2c(C)ccc21	270644	342932428	/nfs/dbraw/zinc/93/24/28/342932428.db2.gz	FLLFLUQBZFBTID-UHFFFAOYSA-N	1	0	163.244	1.261	50	10		ADCARO
C[N@@H+]1CCc2cc(O)c(O)cc2C1	1563568	342947521	/nfs/dbraw/zinc/94/75/21/342947521.db2.gz	WETXYFNVBDLWIW-UHFFFAOYSA-N	1	0	179.219	1.086	50	10	endogenous,in-man	ADCARO
C[C@H]1[NH2+]CCc2cc(O)c(O)cc21	4262577	342989666	/nfs/dbraw/zinc/98/96/66/342989666.db2.gz	IBRKLUSXDYATLG-ZCFIWIBFSA-N	1	0	179.219	1.305	50	10	endogenous,in-man	ADCARO
C[C@H]([NH3+])c1ccc(N(C)C)cc1	6733646	343016461	/nfs/dbraw/zinc/01/64/61/343016461.db2.gz	VDOKYXHLVQGSJQ-QMMMGPOBSA-N	1	0	164.252	1.772	50	10	in-vitro	ADCARO
CCC[NH2+]Cc1ccccc1O	19519526	343057664	/nfs/dbraw/zinc/05/76/64/343057664.db2.gz	NUHMTAQXBQRVOI-UHFFFAOYSA-N	1	0	165.236	1.892	50	10	in-vitro	ADCARO
C[C@H]([NH3+])c1cc(O)ccc1O	21963803	343076624	/nfs/dbraw/zinc/07/66/24/343076624.db2.gz	CIMLGYQRAUWPCM-YFKPBYRVSA-N	1	0	153.181	1.118	50	10		ADCARO
Cc1cccc(C[NH3+])c1O	78100683	343581912	/nfs/dbraw/zinc/58/19/12/343581912.db2.gz	ADVAECBMTXWMNM-UHFFFAOYSA-N	1	0	137.182	1.159	50	10		ADCARO
C=C[O+]=NN(O)N1CCCC1	1895355	166210670	/nfs/dbraw/zinc/21/06/70/166210670.db2.gz	RJWXCQACZTVGIN-VQHVLOKHSA-N	1	0	157.173	1.035	50	10		ADCARO
C=C[O+]=NN(O)N1CCCC1	22067490	166210887	/nfs/dbraw/zinc/21/08/87/166210887.db2.gz	RJWXCQACZTVGIN-CLFYSBASSA-N	1	0	157.173	1.035	50	10	in-vitro	ADCARO
CC(C)[NH2+]Cc1ccc(N)cc1	40398208	166543118	/nfs/dbraw/zinc/54/31/18/166543118.db2.gz	JFKOYUSYMNIQQA-UHFFFAOYSA-N	1	0	164.252	1.767	50	10	in-vitro	ADCARO
CC[N@H+](C)Cc1ccc(N)cc1	37078226	167143704	/nfs/dbraw/zinc/14/37/04/167143704.db2.gz	JBOSIXUHCCUPHD-UHFFFAOYSA-N	1	0	164.252	1.721	50	10	in-vitro	ADCARO
CCN(C)c1ccc(C[NH3+])cc1F	37079104	167148507	/nfs/dbraw/zinc/14/85/07/167148507.db2.gz	QFQVGHFXTPKHSC-UHFFFAOYSA-N	1	0	182.242	1.741	50	10	in-vitro	ADCARO
CC[NH+](CC)Cc1cc(N)ccc1O	56448	167169133	/nfs/dbraw/zinc/16/91/33/167169133.db2.gz	KRQUHMFZMVSALZ-UHFFFAOYSA-N	1	0	194.278	1.816	50	10	in-vitro	ADCARO
CCN(CC)c1ccc(C[NH3+])cc1	2524615	167174916	/nfs/dbraw/zinc/17/49/16/167174916.db2.gz	LBSZDWUTQGRQKH-UHFFFAOYSA-N	1	0	178.279	1.992	50	10	in-vitro	ADCARO
CC[NH2+]Cc1ccc(O)c(O)c1	19481611	167273943	/nfs/dbraw/zinc/27/39/43/167273943.db2.gz	YZFDMQLPGMVPEH-UHFFFAOYSA-N	1	0	167.208	1.207	50	10	in-vitro	ADCARO
CC[NH2+]Cc1ccc(N)cc1	11920620	167274418	/nfs/dbraw/zinc/27/44/18/167274418.db2.gz	RBBFEQBVGNFDCI-UHFFFAOYSA-N	1	0	150.225	1.378	50	10		ADCARO
CC[NH2+]Cc1cc(F)ccc1O	82724524	167274444	/nfs/dbraw/zinc/27/44/44/167274444.db2.gz	DJQOHANZBIQNAC-UHFFFAOYSA-N	1	0	169.199	1.641	50	10		ADCARO
CC[NH2+]Cc1ccc(N(C)C)cc1	2023248	167275921	/nfs/dbraw/zinc/27/59/21/167275921.db2.gz	JPQUAUQJXYRDKM-UHFFFAOYSA-N	1	0	178.279	1.862	50	10	in-vitro	ADCARO
CC[NH2+]Cc1cccc(OC)c1O	11920612	167276754	/nfs/dbraw/zinc/27/67/54/167276754.db2.gz	ZUGOJLRKNXANHB-UHFFFAOYSA-N	1	0	181.235	1.510	50	10		ADCARO
CC[NH2+]Cc1ccccc1O	19426232	167278297	/nfs/dbraw/zinc/27/82/97/167278297.db2.gz	HYQSZSSNBPVQMW-UHFFFAOYSA-N	1	0	151.209	1.502	50	10	in-vitro	ADCARO
CC[N+]1=C(C)c2cccn2CC1	497400	167712337	/nfs/dbraw/zinc/71/23/37/167712337.db2.gz	AUYVYHOFNVMANQ-UHFFFAOYSA-N	1	0	163.244	1.343	50	10		ADCARO
CC[N+]1=C(C)c2ccc(C)n2CC1	245877	167713305	/nfs/dbraw/zinc/71/33/05/167713305.db2.gz	RIFOXITWLYQVSB-UHFFFAOYSA-N	1	0	177.271	1.652	50	10		ADCARO
C[NH+](C)CCCc1ccc(N)cc1	154060	167835715	/nfs/dbraw/zinc/83/57/15/167835715.db2.gz	NEGCVQDVCZWFGK-UHFFFAOYSA-N	1	0	178.279	1.763	50	10	in-vitro	ADCARO
C[NH+](C)Cc1cc(F)ccc1O	2529907	167845437	/nfs/dbraw/zinc/84/54/37/167845437.db2.gz	NEGVGBPSCVOSAI-UHFFFAOYSA-N	1	0	169.199	1.593	50	10	in-vitro	ADCARO
C[NH2+]CCN(C)c1ccc(OC)cc1	49969468	167996077	/nfs/dbraw/zinc/99/60/77/167996077.db2.gz	QBQNXCDESAMIGG-UHFFFAOYSA-N	1	0	194.278	1.351	50	10		ADCARO
C[NH2+]CCc1ccc(N)cc1	38415810	168001886	/nfs/dbraw/zinc/00/18/86/168001886.db2.gz	NNIPOYNUFNLQMO-UHFFFAOYSA-N	1	0	150.225	1.031	50	10	in-vitro	ADCARO
C[NH2+]Cc1cc(Cl)ccc1O	19776789	168015598	/nfs/dbraw/zinc/01/55/98/168015598.db2.gz	YABHGYPDBKOQOO-UHFFFAOYSA-N	1	0	171.627	1.765	50	10	in-vitro	ADCARO
C[NH2+]Cc1cc(F)ccc1O	82724523	168016654	/nfs/dbraw/zinc/01/66/54/168016654.db2.gz	NFRQMEOKZASTGF-UHFFFAOYSA-N	1	0	155.172	1.251	50	10	in-vitro	ADCARO
C[NH2+]Cc1ccc(OC)c(C)c1	35052752	168017496	/nfs/dbraw/zinc/01/74/96/168017496.db2.gz	ZGUHEHRINLSHNE-UHFFFAOYSA-N	1	0	165.236	1.723	50	10	in-vitro	ADCARO
C[NH2+]Cc1cccc(OC)c1O	11920611	168017718	/nfs/dbraw/zinc/01/77/18/168017718.db2.gz	SCLVYLYGEKNISR-UHFFFAOYSA-N	1	0	167.208	1.120	50	10	biogenic	ADCARO
C[NH2+]Cc1ccc(N(C)C)cc1	576153	168017873	/nfs/dbraw/zinc/01/78/73/168017873.db2.gz	DUIPUNLJRBPNMK-UHFFFAOYSA-N	1	0	164.252	1.472	50	10	in-vitro	ADCARO
C[NH2+]Cc1ccc2c(c1)CCO2	37362274	168018323	/nfs/dbraw/zinc/01/83/23/168018323.db2.gz	BCYMJVQGRGNEAO-UHFFFAOYSA-N	1	0	163.220	1.341	50	10	in-vitro	ADCARO
C[NH2+]Cc1ccc2c(c1)CCN2C	12370605	168018554	/nfs/dbraw/zinc/01/85/54/168018554.db2.gz	QPUPWFNEDMKWGL-UHFFFAOYSA-N	1	0	176.263	1.398	50	10	in-vitro	ADCARO
C[NH2+]Cc1ccccc1O	1661167	168019696	/nfs/dbraw/zinc/01/96/96/168019696.db2.gz	PVFSNBPKQDSTPP-UHFFFAOYSA-N	1	0	137.182	1.112	50	10	in-vitro	ADCARO
C[NH2+][C@@H](C)c1cc(F)ccc1O	34845440	168034408	/nfs/dbraw/zinc/03/44/08/168034408.db2.gz	XTPRSPJRKOQDKF-LURJTMIESA-N	1	0	169.199	1.812	50	10		ADCARO
C[NH2+][C@@H](C)c1ccccc1O	20281358	168035222	/nfs/dbraw/zinc/03/52/22/168035222.db2.gz	HESBWQJEYVZCMC-ZETCQYMHSA-N	1	0	151.209	1.673	50	10		ADCARO
C[NH2+][C@H](C)c1ccccc1O	20281362	168051902	/nfs/dbraw/zinc/05/19/02/168051902.db2.gz	HESBWQJEYVZCMC-SSDOTTSWSA-N	1	0	151.209	1.673	50	10		ADCARO
C[NH2+][C@H](C)c1cc(F)ccc1O	34845443	168052256	/nfs/dbraw/zinc/05/22/56/168052256.db2.gz	XTPRSPJRKOQDKF-ZCFIWIBFSA-N	1	0	169.199	1.812	50	10		ADCARO
C[O+]=NN(C)C(C)(C)C	3070189	168074961	/nfs/dbraw/zinc/07/49/61/168074961.db2.gz	DRPFNVIPLHKXEG-BQYQJAHWSA-N	1	0	131.199	1.441	50	10		ADCARO
COCC[NH2+]Cc1ccccc1O	4700638	168168393	/nfs/dbraw/zinc/16/83/93/168168393.db2.gz	MCHMWGAFSLPFLR-UHFFFAOYSA-N	1	0	181.235	1.128	50	10		ADCARO
COCC[NH2+]Cc1cc(F)ccc1O	83343139	168168449	/nfs/dbraw/zinc/16/84/49/168168449.db2.gz	NKQBJBXQCGYGKC-UHFFFAOYSA-N	1	0	199.225	1.267	50	10		ADCARO
COc1cc(C)cc(C[NH+](C)C)c1O	8729814	168229825	/nfs/dbraw/zinc/22/98/25/168229825.db2.gz	IEPASJZYYJFCDB-UHFFFAOYSA-N	1	0	195.262	1.771	50	10	in-vitro	ADCARO
COc1ccc(C(C)(C)[NH3+])c(O)c1	75067771	168246032	/nfs/dbraw/zinc/24/60/32/168246032.db2.gz	SNUZAWGLYNTIIZ-UHFFFAOYSA-N	1	0	181.235	1.595	50	10	in-vitro	ADCARO
COc1ccc(N(C)CCC[NH3+])cc1	6681937	168253574	/nfs/dbraw/zinc/25/35/74/168253574.db2.gz	SWAHHPHRIXRSOJ-UHFFFAOYSA-N	1	0	194.278	1.480	50	10		ADCARO
COc1ccc(N2CC[C@H]([NH3+])C2)cc1	20441292	168253869	/nfs/dbraw/zinc/25/38/69/168253869.db2.gz	HTDZJOUNRTUAKE-VIFPVBQESA-N	1	0	192.262	1.233	50	10		ADCARO
COc1ccc(N(C)C)cc1C[NH3+]	83964231	168254214	/nfs/dbraw/zinc/25/42/14/168254214.db2.gz	QKKITUHRVBAKIN-UHFFFAOYSA-N	1	0	180.251	1.220	50	10		ADCARO
COc1ccc(N2CC[C@@H]([NH3+])C2)cc1	20441288	168254361	/nfs/dbraw/zinc/25/43/61/168254361.db2.gz	HTDZJOUNRTUAKE-SECBINFHSA-N	1	0	192.262	1.233	50	10		ADCARO
COc1cccc(C[NH+](C)C)c1O	4675124	168269164	/nfs/dbraw/zinc/26/91/64/168269164.db2.gz	FZAPLLYZENBAPY-UHFFFAOYSA-N	1	0	181.235	1.462	50	10	biogenic	ADCARO
C[C@@H]([NH3+])c1ccc(O)c(O)c1	82842054	168369404	/nfs/dbraw/zinc/36/94/04/168369404.db2.gz	HLADORYGYPYJHO-RXMQYKEDSA-N	1	0	153.181	1.118	50	10		ADCARO
C[C@@H]([NH3+])c1cc(O)ccc1O	21963798	168370401	/nfs/dbraw/zinc/37/04/01/168370401.db2.gz	CIMLGYQRAUWPCM-RXMQYKEDSA-N	1	0	153.181	1.118	50	10		ADCARO
C[C@@H]([NH3+])c1ccc(N(C)C)cc1	6733648	168370835	/nfs/dbraw/zinc/37/08/35/168370835.db2.gz	VDOKYXHLVQGSJQ-MRVPVSSYSA-N	1	0	164.252	1.772	50	10	in-vitro	ADCARO
C[C@@H]([NH3+])c1ccccc1O	2044831	168372544	/nfs/dbraw/zinc/37/25/44/168372544.db2.gz	ZWKWKJWRIYGQFD-ZCFIWIBFSA-N	1	0	137.182	1.412	50	10	in-vitro	ADCARO
C[C@@H]([NH2+]CCO)c1ccccc1O	4454478	168382138	/nfs/dbraw/zinc/38/21/38/168382138.db2.gz	NLCVPEJPVQMCRW-MRVPVSSYSA-N	1	0	181.235	1.035	50	10		ADCARO
C[C@H]([NH3+])c1ccc(O)c(O)c1	82842053	168554965	/nfs/dbraw/zinc/55/49/65/168554965.db2.gz	HLADORYGYPYJHO-YFKPBYRVSA-N	1	0	153.181	1.118	50	10		ADCARO
C[C@H]([NH2+]CCO)c1ccccc1O	4454477	168568239	/nfs/dbraw/zinc/56/82/39/168568239.db2.gz	NLCVPEJPVQMCRW-QMMMGPOBSA-N	1	0	181.235	1.035	50	10		ADCARO
Cc1cc(C[NH3+])ccc1N(C)C	37733163	168753916	/nfs/dbraw/zinc/75/39/16/168753916.db2.gz	WRFAZAPQJCGFFK-UHFFFAOYSA-N	1	0	164.252	1.520	50	10	in-vitro	ADCARO
NC(=[NH2+])Sc1ccc(O)c(O)c1	6220249	169139950	/nfs/dbraw/zinc/13/99/50/169139950.db2.gz	WVMSXJUWHMHLDE-UHFFFAOYSA-N	1	0	184.220	1.083	50	10		ADCARO
[NH3+]CCCSc1nccs1	39341432	169185392	/nfs/dbraw/zinc/18/53/92/169185392.db2.gz	XTATWIACDWQSJY-UHFFFAOYSA-N	1	0	174.294	1.584	50	10	in-vitro	ADCARO
[NH3+]Cc1c(O)ccc2c1CCCC2	71373515	169218430	/nfs/dbraw/zinc/21/84/30/169218430.db2.gz	AXQHSQFIBBLDJZ-UHFFFAOYSA-N	1	0	177.247	1.730	50	10	in-vitro	ADCARO
[NH3+]Cc1cc(C(F)(F)F)ccc1O	36949367	169218529	/nfs/dbraw/zinc/21/85/29/169218529.db2.gz	GXCFFSXZUVQDIF-UHFFFAOYSA-N	1	0	191.152	1.870	50	10		ADCARO
[NH3+]Cc1c(O)ccc2ncccc12	27653305	169218916	/nfs/dbraw/zinc/21/89/16/169218916.db2.gz	HCBMZLHTLPOJBM-UHFFFAOYSA-N	1	0	174.203	1.399	50	10		ADCARO
[NH3+]Cc1c(O)cccc1Cl	52904631	169219153	/nfs/dbraw/zinc/21/91/53/169219153.db2.gz	DDKHIOXWHDMUEL-UHFFFAOYSA-N	1	0	157.600	1.504	50	10	in-vitro	ADCARO
[NH3+]Cc1cc(Cl)ccc1O	1628244	169220937	/nfs/dbraw/zinc/22/09/37/169220937.db2.gz	PTZMBOCHADEFMC-UHFFFAOYSA-N	1	0	157.600	1.504	50	10	in-vitro	ADCARO
[NH3+]Cc1ccc(N2CCCC2)cc1	2538846	169223436	/nfs/dbraw/zinc/22/34/36/169223436.db2.gz	OCVQUKOCFUOCBM-UHFFFAOYSA-N	1	0	176.263	1.746	50	10	in-vitro	ADCARO
[NH3+]Cc1ccc(N2CC=CC2)cc1	100639241	169223491	/nfs/dbraw/zinc/22/34/91/169223491.db2.gz	QOYVTVIMZAZBGF-UHFFFAOYSA-N	1	0	174.247	1.522	50	10	in-vitro	ADCARO
[NH3+][C@@H]1CCc2cccc(O)c21	26162425	169256935	/nfs/dbraw/zinc/25/69/35/169256935.db2.gz	MAYMVHAVYDCEHG-SSDOTTSWSA-N	1	0	149.193	1.338	50	10		ADCARO
[NH3+][C@H]1CCc2cccc(O)c21	26162434	169276035	/nfs/dbraw/zinc/27/60/35/169276035.db2.gz	MAYMVHAVYDCEHG-ZETCQYMHSA-N	1	0	149.193	1.338	50	10		ADCARO
Nc1ccc(-[n+]2ccccc2)cc1	90598883	169290675	/nfs/dbraw/zinc/29/06/75/169290675.db2.gz	HXFVDMRNUKGSFX-UHFFFAOYSA-N	1	0	171.223	1.546	50	10	in-vitro	ADCARO
Nc1ccc(CC[NH+]2CCCC2)cc1	2599300	169291235	/nfs/dbraw/zinc/29/12/35/169291235.db2.gz	WAOKZNBDXFOXSA-UHFFFAOYSA-N	1	0	190.290	1.907	50	10	in-vitro	ADCARO
Nc1ccc(C[NH+]2CCCC2)cc1	266960	169291305	/nfs/dbraw/zinc/29/13/05/169291305.db2.gz	SFEAIUCOZWDYMJ-UHFFFAOYSA-N	1	0	176.263	1.865	50	10	in-vitro	ADCARO
Nc1ccc(C[NH2+]C2CC2)cc1	40408295	169291447	/nfs/dbraw/zinc/29/14/47/169291447.db2.gz	ZQSPJDFQWLYSMD-UHFFFAOYSA-N	1	0	162.236	1.521	50	10		ADCARO
Nc1ccc(CC2CC[NH2+]CC2)cc1	23508888	169291642	/nfs/dbraw/zinc/29/16/42/169291642.db2.gz	BLNHLPPJDFYMDH-UHFFFAOYSA-N	1	0	190.290	1.811	50	10		ADCARO
Nc1ccc(OC2CC[NH2+]CC2)cc1	98180704	169292469	/nfs/dbraw/zinc/29/24/69/169292469.db2.gz	LSTGUMRVMZAHCV-UHFFFAOYSA-N	1	0	192.262	1.400	50	10		ADCARO
Nc1ccc(OCC[NH2+]C2CC2)cc1	41205995	169292579	/nfs/dbraw/zinc/29/25/79/169292579.db2.gz	JAMQGRVALBLSGM-UHFFFAOYSA-N	1	0	192.262	1.400	50	10		ADCARO
Oc1ccc([C@@H]2CC[NH2+]C2)cc1O	71482723	169457697	/nfs/dbraw/zinc/45/76/97/169457697.db2.gz	CAAHVVMNMWDZNQ-MRVPVSSYSA-N	1	0	179.219	1.175	50	10		ADCARO
N#[N+][N-]Cc1ccc(C(=[NH2+])NO)cc1	96032228	169469259	/nfs/dbraw/zinc/46/92/59/169469259.db2.gz	QGWFSUCIQWFXEA-UHFFFAOYSA-N	1	0	191.194	1.801	50	10		ADCARO
C[N+](C)(C)c1ccc(N)cc1	3832488	171010453	/nfs/dbraw/zinc/01/04/53/171010453.db2.gz	MSHIGWWCLPELSB-UHFFFAOYSA-N	1	0	151.233	1.466	50	10		ADCARO
N#[N+]CC(=O)Cc1ccccc1	3882853	171010515	/nfs/dbraw/zinc/01/05/15/171010515.db2.gz	YBFLCCYMUGRHSS-UHFFFAOYSA-N	1	0	160.176	1.099	50	10		ADCARO
C[NH+](C)CCOc1ccc(N)cc1	6678076	171020225	/nfs/dbraw/zinc/02/02/25/171020225.db2.gz	CCCVQPGAXZNTIL-UHFFFAOYSA-N	1	0	180.251	1.209	50	10	in-vitro	ADCARO
COc1ccc(O)c([C@@H](C)[NH3+])c1	22141099	171041989	/nfs/dbraw/zinc/04/19/89/171041989.db2.gz	IZKMMTUNVKTMBW-ZCFIWIBFSA-N	1	0	167.208	1.421	50	10	in-vitro	ADCARO
COc1ccc(O)c([C@H](C)[NH3+])c1	22141101	171042077	/nfs/dbraw/zinc/04/20/77/171042077.db2.gz	IZKMMTUNVKTMBW-LURJTMIESA-N	1	0	167.208	1.421	50	10	in-vitro	ADCARO
COc1ccc(O)c(C[N+](C)(C)C)c1	34925592	171057351	/nfs/dbraw/zinc/05/73/51/171057351.db2.gz	CMVJJQUYCUTKEV-UHFFFAOYSA-O	1	0	196.270	1.607	50	10		ADCARO
C[N+](C)(C)c1ccc2c(c1)OCO2	66091421	171104455	/nfs/dbraw/zinc/10/44/55/171104455.db2.gz	YSZNBGBSIRSHJE-UHFFFAOYSA-N	1	0	180.227	1.612	50	10		ADCARO
N#[N+]CC(=O)OCc1ccccc1	86012710	171132171	/nfs/dbraw/zinc/13/21/71/171132171.db2.gz	JBBKWIFIXPBQGZ-UHFFFAOYSA-N	1	0	176.175	1.030	50	10		ADCARO
N#[N+]C1C(=O)c2cccc3cccc1c23	4127754	171164277	/nfs/dbraw/zinc/16/42/77/171164277.db2.gz	VJAKCISTGXSALV-UHFFFAOYSA-N	1	0	194.193	1.359	50	10		ADCARO
Oc1ccc(F)cc1C[NH2+]C1CC1	83340549	171181233	/nfs/dbraw/zinc/18/12/33/171181233.db2.gz	LZMQUBZZRMIYEK-UHFFFAOYSA-N	1	0	181.210	1.783	50	10		ADCARO
[NH3+]Cc1ccc2cccnc2c1O	39383451	171189609	/nfs/dbraw/zinc/18/96/09/171189609.db2.gz	RRWSVNZDDVMIFS-UHFFFAOYSA-N	1	0	174.203	1.399	50	10		ADCARO
Oc1cccc2c1C[NH2+]CC2	14724196	171215452	/nfs/dbraw/zinc/21/54/52/171215452.db2.gz	UHEOSCFYXMSUPR-UHFFFAOYSA-N	1	0	149.193	1.038	50	10	in-vitro	ADCARO
CN(C)c1ccc(C[NH3+])cc1	154092	342928532	/nfs/dbraw/zinc/92/85/32/342928532.db2.gz	PDJZOFLRRJQYBF-UHFFFAOYSA-N	1	0	150.225	1.211	50	10	in-vitro	ADCARO
CCCC1=[N+](C)CCn2cccc21	249629	342932017	/nfs/dbraw/zinc/93/20/17/342932017.db2.gz	GLKHHEULOHSGSK-UHFFFAOYSA-N	1	0	177.271	1.733	50	10		ADCARO
C[NH+](C)Cc1c(N)cccc1O	254626	342932486	/nfs/dbraw/zinc/93/24/86/342932486.db2.gz	NRAASMVLNXWEEF-UHFFFAOYSA-N	1	0	166.224	1.036	50	10		ADCARO
C[NH+](C)Cc1ccccc1O	402558	342938188	/nfs/dbraw/zinc/93/81/88/342938188.db2.gz	FUIQBJHUESBZNU-UHFFFAOYSA-N	1	0	151.209	1.454	50	10		ADCARO
C[C@H]([NH3+])c1ccccc1O	1681067	342958003	/nfs/dbraw/zinc/95/80/03/342958003.db2.gz	ZWKWKJWRIYGQFD-LURJTMIESA-N	1	0	137.182	1.412	50	10	in-vitro	ADCARO
C[NH+](C)Cc1ccc(N)cc1	1743172	342963423	/nfs/dbraw/zinc/96/34/23/342963423.db2.gz	NNCCQALFJIMRKB-UHFFFAOYSA-N	1	0	150.225	1.330	50	10	in-vitro	ADCARO
C[NH+](C)CCc1ccc(N)cc1	2599302	342979620	/nfs/dbraw/zinc/97/96/20/342979620.db2.gz	XPKKPVBDOPPWJU-UHFFFAOYSA-N	1	0	164.252	1.373	50	10	in-vitro	ADCARO
C[NH+](C)CCc1ccc(O)c(O)c1	3635667	342982724	/nfs/dbraw/zinc/98/27/24/342982724.db2.gz	XJTVXBWTYZCUJX-UHFFFAOYSA-N	1	0	181.235	1.202	50	10		ADCARO
CCC1=[N+](CC)CCn2cccc21	4603797	342993469	/nfs/dbraw/zinc/99/34/69/342993469.db2.gz	FSUIUXAFWMYNGA-UHFFFAOYSA-N	1	0	177.271	1.733	50	10		ADCARO
CCC1=[N+](C)CCn2cccc21	4603654	342993551	/nfs/dbraw/zinc/99/35/51/342993551.db2.gz	WCCIGTVNBDZMGJ-UHFFFAOYSA-N	1	0	163.244	1.343	50	10		ADCARO
C[NH+](C)Cc1c(O)ccc2[nH]ccc12	8991510	343021282	/nfs/dbraw/zinc/02/12/82/343021282.db2.gz	SGHQUFHHAZYDEZ-UHFFFAOYSA-N	1	0	190.246	1.935	50	10		ADCARO
CN(C)c1ccc(C[NH3+])cc1F	11757292	343024404	/nfs/dbraw/zinc/02/44/04/343024404.db2.gz	JROHGZOXNDFQCX-UHFFFAOYSA-N	1	0	168.215	1.350	50	10	in-vitro	ADCARO
C[NH+](C)CCCOc1ccc(N)cc1	14630113	343039787	/nfs/dbraw/zinc/03/97/87/343039787.db2.gz	MOXSUJYRRRCATL-UHFFFAOYSA-N	1	0	194.278	1.599	50	10	in-vitro	ADCARO
CN1CCc2cc(C[NH3+])ccc21	19722086	343059044	/nfs/dbraw/zinc/05/90/44/343059044.db2.gz	BLBSHOZNEJRWRD-UHFFFAOYSA-N	1	0	162.236	1.138	50	10	in-vitro	ADCARO
CN(C)CC[NH2+]Cc1ccccc1O	19831492	343061278	/nfs/dbraw/zinc/06/12/78/343061278.db2.gz	MKJWJYZYPVDSKG-UHFFFAOYSA-N	1	0	194.278	1.043	50	10		ADCARO
CC[C@@H]([NH3+])c1ccccc1O	22142786	343079183	/nfs/dbraw/zinc/07/91/83/343079183.db2.gz	SJYRIEHMQRIBEN-MRVPVSSYSA-N	1	0	151.209	1.802	50	10	in-vitro	ADCARO
CC[C@H]([NH3+])c1ccccc1O	22142789	343079239	/nfs/dbraw/zinc/07/92/39/343079239.db2.gz	SJYRIEHMQRIBEN-QMMMGPOBSA-N	1	0	151.209	1.802	50	10	in-vitro	ADCARO
C[N@H+](Cc1ccc(N)cc1)C1CC1	32006935	343096197	/nfs/dbraw/zinc/09/61/97/343096197.db2.gz	QOPUVTLCVAKZRB-UHFFFAOYSA-N	1	0	176.263	1.863	50	10		ADCARO
CN(C)c1ccc(C2=CC[NH2+]C2)cc1	34865824	343125473	/nfs/dbraw/zinc/12/54/73/343125473.db2.gz	BAFAQAMERJAIND-UHFFFAOYSA-N	1	0	188.274	1.739	50	10	in-vitro	ADCARO
Cc1ccc(O)c(C[NH3+])c1	40467017	343218995	/nfs/dbraw/zinc/21/89/95/343218995.db2.gz	WIHBICITCXSMDU-UHFFFAOYSA-N	1	0	137.182	1.159	50	10	in-vitro	ADCARO
Cc1cc(N(C)C)ccc1C[NH3+]	50581542	343284841	/nfs/dbraw/zinc/28/48/41/343284841.db2.gz	NLAIHUYQKSZKKN-UHFFFAOYSA-N	1	0	164.252	1.520	50	10	in-vitro	ADCARO
Cc1ccc(C[NH3+])c(O)c1	51580984	343290156	/nfs/dbraw/zinc/29/01/56/343290156.db2.gz	WNSXEDPCKDOJQN-UHFFFAOYSA-N	1	0	137.182	1.159	50	10		ADCARO
C[N+](C)(C)CCOc1ccc(N)cc1	95642070	343684889	/nfs/dbraw/zinc/68/48/89/343684889.db2.gz	PJNAEOXIFAOLGE-UHFFFAOYSA-N	1	0	195.286	1.354	50	10		ADCARO
C[Si](C)(C)C[N+]#N	169743355	344352115	/nfs/dbraw/zinc/35/21/15/344352115.db2.gz	ONDSBJMLAHVLMI-UHFFFAOYSA-N	1	0	114.224	1.164	50	10		ADCARO
Oc1ccccc1C[NH+]1CCCC1	2897658	351315104	/nfs/dbraw/zinc/31/51/04/351315104.db2.gz	XXWYYQVGCPWDHR-UHFFFAOYSA-N	1	0	177.247	1.988	50	10		ADCARO
C[C@@H]1[NH2+]CCc2cc(O)c(O)cc21	4027288	351324221	/nfs/dbraw/zinc/32/42/21/351324221.db2.gz	IBRKLUSXDYATLG-LURJTMIESA-N	1	0	179.219	1.305	50	10	endogenous,in-man	ADCARO
C[C@@H]1c2cc(O)c(O)cc2CC[N@H+]1C	5082283	351337548	/nfs/dbraw/zinc/33/75/48/351337548.db2.gz	RKMGOUZXGHZLBJ-SSDOTTSWSA-N	1	0	193.246	1.647	50	10	endogenous,in-man	ADCARO
Oc1ccccc1C[NH2+]C1CC1	12396948	351365108	/nfs/dbraw/zinc/36/51/08/351365108.db2.gz	CMASOABZZOLEIE-UHFFFAOYSA-N	1	0	163.220	1.644	50	10		ADCARO
Oc1ccccc1C[NH+]1CCOCC1	21953114	351408417	/nfs/dbraw/zinc/40/84/17/351408417.db2.gz	OYLIEVIKIUHKTG-UHFFFAOYSA-N	1	0	193.246	1.224	50	10		ADCARO
Oc1cc2c(cc1O)C[NH2+]CCC2	22057766	351410918	/nfs/dbraw/zinc/41/09/18/351410918.db2.gz	YEFIHKAKNXLNLZ-UHFFFAOYSA-N	1	0	179.219	1.134	50	10	in-vitro	ADCARO
Oc1ccccc1[C@@H]1CCC[NH2+]1	40442613	351506836	/nfs/dbraw/zinc/50/68/36/351506836.db2.gz	LIRAHXXJLSDRSO-VIFPVBQESA-N	1	0	163.220	1.817	50	10	in-vitro	ADCARO
Oc1ccccc1[C@H]1CCC[NH2+]1	60118197	371639915	/nfs/dbraw/zinc/63/99/15/371639915.db2.gz	LIRAHXXJLSDRSO-SECBINFHSA-N	1	0	163.220	1.817	50	10	in-vitro	ADCARO
C[N+](C)(C)CCc1ccc(O)c(O)c1	1675113	525358643	/nfs/dbraw/zinc/35/86/43/525358643.db2.gz	VDTBORSEFUUDTP-UHFFFAOYSA-O	1	0	196.270	1.347	50	10	in-vitro	ADCARO