smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+](C)CC#Cc1ccccc1	196485470	572485419	/nfs/dbraw/zinc/48/54/19/572485419.db2.gz	CRNWWBHBLYPYJJ-UHFFFAOYSA-N	1	1	185.270	2.156	50	30		AEEAMO
C(#Cc1ccccc1)C[N@@H+]1CC=CCC1	5601003	343005583	/nfs/dbraw/zinc/00/55/83/343005583.db2.gz	WINKZOCVLHKRNK-UHFFFAOYSA-N	1	1	197.281	2.300	50	30		AEEAMO
C#CC(C)(C)[N@@H+](C)C(C)(C)C	31517377	166012635	/nfs/dbraw/zinc/01/26/35/166012635.db2.gz	PAVORIOUUILGMQ-UHFFFAOYSA-N	1	1	153.269	2.129	50	30	in-man	AEEAMO
C#CC[N@H+](C)[C@@H]1CCc2ccccc21	53275068	166017480	/nfs/dbraw/zinc/01/74/80/166017480.db2.gz	CSVGVHNFFZWQJU-CYBMUJFWSA-N	1	1	185.270	2.239	50	30	in-vivo	AEEAMO
C#CC[N@H+](C)[C@H](C)Cc1ccccc1	19632633	166018319	/nfs/dbraw/zinc/01/83/19/166018319.db2.gz	MEZLKOACVSPNER-GFCCVEGCSA-N	1	1	187.286	2.183	50	30	fda	AEEAMO
C#CC[N@H+](C)[C@H]1CCc2ccccc21	53275070	166018852	/nfs/dbraw/zinc/01/88/52/166018852.db2.gz	CSVGVHNFFZWQJU-ZDUSSCGKSA-N	1	1	185.270	2.239	50	30		AEEAMO
C#CC[N@H+](C)[C@@H](C)Cc1ccccc1	22056030	166019069	/nfs/dbraw/zinc/01/90/69/166019069.db2.gz	MEZLKOACVSPNER-LBPRGKRZSA-N	1	1	187.286	2.183	50	30	fda	AEEAMO
C#C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	238004396	166036644	/nfs/dbraw/zinc/03/66/44/166036644.db2.gz	KLZFBGALELQEMD-GFCCVEGCSA-N	1	1	185.270	2.142	50	30	in-vitro	AEEAMO
C#C[C@H]1CC[N@@H+](Cc2ccccc2)C1	238005033	166038459	/nfs/dbraw/zinc/03/84/59/166038459.db2.gz	KLZFBGALELQEMD-LBPRGKRZSA-N	1	1	185.270	2.142	50	30	in-vitro	AEEAMO
C/C(=[NH+]\c1ccccc1C#N)N(C)C	68586293	166057154	/nfs/dbraw/zinc/05/71/54/166057154.db2.gz	UGVKZWBSLDLRJO-UKTHLTGXSA-N	1	1	187.246	2.170	50	30		AEEAMO
CC(=[NH2+])NN=Cc1ccccc1Cl	3199968	166058302	/nfs/dbraw/zinc/05/83/02/166058302.db2.gz	NAAQKBIXKSIDIR-WUXMJOGZSA-N	1	1	195.653	2.051	50	30		AEEAMO
C=C(C)C[N@H+](CC)Cc1ccncc1	766459	166120292	/nfs/dbraw/zinc/12/02/92/166120292.db2.gz	RRGBLLDFXGDFTQ-UHFFFAOYSA-N	1	1	190.290	2.480	50	30		AEEAMO
C=C(C)C[N@@H+](CC)Cc1cc(C)on1	39985830	166120377	/nfs/dbraw/zinc/12/03/77/166120377.db2.gz	RYJSLBNHPNLWDN-UHFFFAOYSA-N	1	1	194.278	2.381	50	30		AEEAMO
C=C(C)C[N@H+](CC)Cc1cc(C)on1	39985830	166120379	/nfs/dbraw/zinc/12/03/79/166120379.db2.gz	RYJSLBNHPNLWDN-UHFFFAOYSA-N	1	1	194.278	2.381	50	30		AEEAMO
C=C(C)C[N@H+](CC)Cc1[nH]cnc1C	214594	166120632	/nfs/dbraw/zinc/12/06/32/166120632.db2.gz	VOOFXNKOZVZASZ-UHFFFAOYSA-N	1	1	193.294	2.116	50	30		AEEAMO
C=C1CC[N@@H+](Cc2ccccc2)C1	38312357	166147011	/nfs/dbraw/zinc/14/70/11/166147011.db2.gz	ZTEUQSJVOGPSJP-UHFFFAOYSA-N	1	1	173.259	2.449	50	30	in-vitro	AEEAMO
C=CC[N@H+](C)Cc1ccccc1	3080598	166171866	/nfs/dbraw/zinc/17/18/66/166171866.db2.gz	DZRKBPWATCKLKY-UHFFFAOYSA-N	1	1	161.248	2.304	50	30		AEEAMO
C=CC[n+]1cccc2cccc(O)c21	36381094	166207031	/nfs/dbraw/zinc/20/70/31/166207031.db2.gz	JWPQSPJDWCVDDB-UHFFFAOYSA-O	1	1	186.234	2.019	50	30		AEEAMO
C=CCn1c[nH+]c(-c2ccccc2)c1N	47843937	166210450	/nfs/dbraw/zinc/21/04/50/166210450.db2.gz	SQQMAZMNVKXFHI-UHFFFAOYSA-N	1	1	199.257	2.318	50	30	in-vitro	AEEAMO
CC(C)(C)C1CCC([NH3+])(C#N)CC1	22223249	166347866	/nfs/dbraw/zinc/34/78/66/166347866.db2.gz	KRFKBXXGOKTNDZ-UHFFFAOYSA-N	1	1	180.295	2.444	50	30	in-vitro	AEEAMO
C[C@@H]([NH2+]CCC#N)c1ccccc1	19736895	168381357	/nfs/dbraw/zinc/38/13/57/168381357.db2.gz	DNHYDVVIQFEOGM-SNVBAGLBSA-N	1	1	174.247	2.251	50	30		AEEAMO
N#CC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	4686990	169100723	/nfs/dbraw/zinc/10/07/23/169100723.db2.gz	OIQLDCGCWJGORH-QWRGUYRKSA-N	1	1	178.279	2.165	50	30		AEEAMO
N#CC[C@@H]1CCC[N@H+]2CCCC[C@H]12	103010588	169101261	/nfs/dbraw/zinc/10/12/61/169101261.db2.gz	OIQLDCGCWJGORH-WDEREUQCSA-N	1	1	178.279	2.165	50	30		AEEAMO
N#CC[C@H]1CCC[N@H+]2CCCC[C@@H]12	4686989	169102354	/nfs/dbraw/zinc/10/23/54/169102354.db2.gz	OIQLDCGCWJGORH-MNOVXSKESA-N	1	1	178.279	2.165	50	30		AEEAMO
N#CC[C@H]1CCC[N@H+]2CCCC[C@H]12	103010590	169103044	/nfs/dbraw/zinc/10/30/44/169103044.db2.gz	OIQLDCGCWJGORH-GHMZBOCLSA-N	1	1	178.279	2.165	50	30		AEEAMO
N#C[C@@H]1CC[N@H+](Cc2ccccc2)C1	54967342	169108714	/nfs/dbraw/zinc/10/87/14/169108714.db2.gz	RYCQUUNQHVAFSM-LBPRGKRZSA-N	1	1	186.258	2.032	50	30	in-vitro	AEEAMO
N#C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	54967342	169108716	/nfs/dbraw/zinc/10/87/16/169108716.db2.gz	RYCQUUNQHVAFSM-LBPRGKRZSA-N	1	1	186.258	2.032	50	30	in-vitro	AEEAMO
N#C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)C2	147466424	169110086	/nfs/dbraw/zinc/11/00/86/169110086.db2.gz	BOHSMHNKEIRAEH-CHWSQXEVSA-N	1	1	198.269	2.032	50	30		AEEAMO
N#C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)C2	147466424	169110087	/nfs/dbraw/zinc/11/00/87/169110087.db2.gz	BOHSMHNKEIRAEH-CHWSQXEVSA-N	1	1	198.269	2.032	50	30		AEEAMO
N#C[C@H]1CC[N@H+](Cc2ccccc2)C1	54967340	169112204	/nfs/dbraw/zinc/11/22/04/169112204.db2.gz	RYCQUUNQHVAFSM-GFCCVEGCSA-N	1	1	186.258	2.032	50	30	in-vitro	AEEAMO
N#C[C@H]1CC[N@@H+](Cc2ccccc2)C1	54967340	169112206	/nfs/dbraw/zinc/11/22/06/169112206.db2.gz	RYCQUUNQHVAFSM-GFCCVEGCSA-N	1	1	186.258	2.032	50	30	in-vitro	AEEAMO
N#C[C@]12C[C@H]1C[N@H+](Cc1ccccc1)C2	38886302	169113883	/nfs/dbraw/zinc/11/38/83/169113883.db2.gz	BOHSMHNKEIRAEH-STQMWFEESA-N	1	1	198.269	2.032	50	30		AEEAMO
N#C[C@]12C[C@H]1C[N@@H+](Cc1ccccc1)C2	38886302	169113885	/nfs/dbraw/zinc/11/38/85/169113885.db2.gz	BOHSMHNKEIRAEH-STQMWFEESA-N	1	1	198.269	2.032	50	30		AEEAMO
SC[C@H]1CCC[N@H+]2CCCC[C@@H]12	485991	169463341	/nfs/dbraw/zinc/46/33/41/169463341.db2.gz	IDJFQEVIICXDDP-ZJUUUORDSA-N	1	1	185.336	2.181	50	30		AEEAMO
SC[C@@H]1CCC[N@H+]2CCCC[C@H]12	3985303	171011077	/nfs/dbraw/zinc/01/10/77/171011077.db2.gz	IDJFQEVIICXDDP-VHSXEESVSA-N	1	1	185.336	2.181	50	30	biogenic	AEEAMO
SC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	4660815	171014230	/nfs/dbraw/zinc/01/42/30/171014230.db2.gz	IDJFQEVIICXDDP-UWVGGRQHSA-N	1	1	185.336	2.181	50	30		AEEAMO
N#CC1([NH+]2CCCC2)CCCCC1	19935175	171036589	/nfs/dbraw/zinc/03/65/89/171036589.db2.gz	BFONNRLSLNCPJF-UHFFFAOYSA-N	1	1	178.279	2.309	50	30		AEEAMO
N#CC1([NH+]2CCCCC2)CCCC1	19935158	171036917	/nfs/dbraw/zinc/03/69/17/171036917.db2.gz	WIHSUXKKKPZENV-UHFFFAOYSA-N	1	1	178.279	2.309	50	30	in-vitro	AEEAMO
N#CCC[NH2+]Cc1ccc(Cl)cc1	19943309	171036986	/nfs/dbraw/zinc/03/69/86/171036986.db2.gz	CCDBUCXBPBMKJY-UHFFFAOYSA-N	1	1	194.665	2.343	50	30	in-vitro	AEEAMO
CCCCCCCC[NH+]1CCNCC1	22028917	171042089	/nfs/dbraw/zinc/04/20/89/171042089.db2.gz	RRZDZQLIIMBIDL-UHFFFAOYSA-N	1	1	198.354	2.252	50	30	in-vitro	AEEAMO
C[N@@H+](CCS)Cc1ccccc1	5007903	342997711	/nfs/dbraw/zinc/99/77/11/342997711.db2.gz	YKLKAPXRGFLJFK-UHFFFAOYSA-N	1	1	181.304	2.048	50	30	in-vitro	AEEAMO
Cc1[nH+]ccn1-c1ccc(C#N)cc1	12370675	343029066	/nfs/dbraw/zinc/02/90/66/343029066.db2.gz	FAMJRKMLLLJOGZ-UHFFFAOYSA-N	1	1	183.214	2.052	50	30		AEEAMO
Cc1[nH+]ccn1-c1ccccc1C#N	12370670	343029165	/nfs/dbraw/zinc/02/91/65/343029165.db2.gz	NCQQCFZREDABTC-UHFFFAOYSA-N	1	1	183.214	2.052	50	30		AEEAMO
C[NH+]=C(Nc1ccccc1)SC	16953762	343045044	/nfs/dbraw/zinc/04/50/44/343045044.db2.gz	ZUNFQDPUENHLTK-UHFFFAOYSA-N	1	1	180.276	2.257	50	30		AEEAMO
Cc1[nH+]ccn1Cc1cccc(C#N)c1	19431823	343055052	/nfs/dbraw/zinc/05/50/52/343055052.db2.gz	HMXUYPBDUYSWMA-UHFFFAOYSA-N	1	1	197.241	2.112	50	30		AEEAMO
C[C@H]([NH2+]CCC#N)c1ccccc1	19736896	343059581	/nfs/dbraw/zinc/05/95/81/343059581.db2.gz	DNHYDVVIQFEOGM-JTQLQIEISA-N	1	1	174.247	2.251	50	30		AEEAMO
CCCCC[N@@H+](C)CCC#N	19834147	343061531	/nfs/dbraw/zinc/06/15/31/343061531.db2.gz	WCYOUTNXDJQKJM-UHFFFAOYSA-N	1	1	154.257	2.022	50	30	in-vitro	AEEAMO
CC1CCC([N@@H+](C)CCC#N)CC1	42209491	343237852	/nfs/dbraw/zinc/23/78/52/343237852.db2.gz	BOMMVVQCCRGXBR-UHFFFAOYSA-N	1	1	180.295	2.411	50	30		AEEAMO
Cc1[nH+]ccn1-c1cccc(C#N)c1	74938110	343575042	/nfs/dbraw/zinc/57/50/42/343575042.db2.gz	TXOKCNFPHCSTLG-UHFFFAOYSA-N	1	1	183.214	2.052	50	30		AEEAMO
C#Cc1ccc(-n2cc[nH+]c2C)cc1	238499783	344809751	/nfs/dbraw/zinc/80/97/51/344809751.db2.gz	NZQZULPSQYKVDG-UHFFFAOYSA-N	1	1	182.226	2.162	50	30		AEEAMO
C=CCC[N@H+](C)Cc1ccco1	388382013	346550846	/nfs/dbraw/zinc/55/08/46/346550846.db2.gz	RIZGKRVMQWGVGP-UHFFFAOYSA-N	1	1	165.236	2.288	50	30		AEEAMO
SC[C@H]1CCC[N@H+]2CCCC[C@H]12	386587	351277027	/nfs/dbraw/zinc/27/70/27/351277027.db2.gz	IDJFQEVIICXDDP-NXEZZACHSA-N	1	1	185.336	2.181	50	30		AEEAMO
CCOc1ccc(/C=[NH+]/C)cc1OC	2166325	351304386	/nfs/dbraw/zinc/30/43/86/351304386.db2.gz	DLJRNHFVYXFAGC-XYOKQWHBSA-N	1	1	193.246	2.143	50	30		AEEAMO
CC(C)C[NH+](CC#N)CC(C)C	19852156	351395473	/nfs/dbraw/zinc/39/54/73/351395473.db2.gz	ADEQPGWHCPALGB-UHFFFAOYSA-N	1	1	168.284	2.124	50	30	in-vitro	AEEAMO
CC(C)C1CCC([NH3+])(C#N)CC1	39104058	351491178	/nfs/dbraw/zinc/49/11/78/351491178.db2.gz	KZVYXXOSVVUBBF-UHFFFAOYSA-N	1	1	166.268	2.054	50	30	in-vitro	AEEAMO
Cc1[nH+]cn(CCCCC#N)c1C	51927008	351561684	/nfs/dbraw/zinc/56/16/84/351561684.db2.gz	IBWOQQSLJWWDML-UHFFFAOYSA-N	1	1	177.251	2.194	50	30		AEEAMO