smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)/C=C1\C=Cc2ccccc21	72103629	573685688	/nfs/dbraw/zinc/68/56/88/573685688.db2.gz	APROKXRMPOTDTP-PKNBQFBNSA-N	1	0	171.243	2.616	1	0		AFAFRO
C1=CC2=[NH+]c3ccccc3[C@H]2C=C1	1866749	560185139	/nfs/dbraw/zinc/18/51/39/560185139.db2.gz	CYBHWCLUGRHMCK-SECBINFHSA-N	1	0	167.211	2.982	1	0	in-vitro	AFAFRO
Cc1cccc(CC[NH+]2CCCC2)c1	29130963	1169064186	/nfs/dbraw/zinc/06/41/86/1169064186.db2.gz	AXQOVIUHTPHFNE-UHFFFAOYSA-N	1	0	189.302	2.633	1	0	in-vivo	AFAFRO
C(=C1/C[NH+]2CCC1CC2)\c1ccccc1	28819336	166045132	/nfs/dbraw/zinc/04/51/32/166045132.db2.gz	ULHUYFVJQMXTQV-UVTDQMKNSA-N	1	0	199.297	2.796	1	0		AFAFRO
C(=C1\C[NH+]2CCC1CC2)\c1ccccc1	33840472	166045236	/nfs/dbraw/zinc/04/52/36/166045236.db2.gz	ULHUYFVJQMXTQV-GXDHUFHOSA-N	1	0	199.297	2.796	1	0		AFAFRO
C1=C(c2ccccc2)C[C@@H]2CC[C@H]1[NH2+]2	34334121	166072183	/nfs/dbraw/zinc/07/21/83/166072183.db2.gz	VHBRUQHAUJNUAM-OLZOCXBDSA-N	1	0	185.270	2.594	1	0	in-vivo	AFAFRO
C1=C(c2ccccc2)CC[N+](C2CC2)=C1	27194573	166072215	/nfs/dbraw/zinc/07/22/15/166072215.db2.gz	FFBORODUZUNPMH-UHFFFAOYSA-N	1	0	198.289	2.719	1	0		AFAFRO
C1=C(c2ccccc2)C[C@H]2CC[C@@H]1[NH2+]2	34334123	166072577	/nfs/dbraw/zinc/07/25/77/166072577.db2.gz	VHBRUQHAUJNUAM-QWHCGFSZSA-N	1	0	185.270	2.594	1	0	in-vivo	AFAFRO
C1=C(c2cccs2)C2CCN1CC2	17166	166074370	/nfs/dbraw/zinc/07/43/70/166074370.db2.gz	BYOZMAAKKNZOCN-UHFFFAOYSA-N	1	0	191.299	2.815	1	0		AFAFRO
C=C(c1ccccc1C)[n+]1ccccc1	1019609	166140331	/nfs/dbraw/zinc/14/03/31/166140331.db2.gz	JKMGWZHWEDWLEM-UHFFFAOYSA-N	1	0	196.273	2.802	3	0		AFAFRO
C=C=C(Cc1ccccc1)C[NH+](C)C	25991051	166150505	/nfs/dbraw/zinc/15/05/05/166150505.db2.gz	DVOONHJHTQVWJG-UHFFFAOYSA-N	1	0	187.286	2.502	1	0		AFAFRO
CC[NH2+][C@]12CC[C@H](C1)C(C)(C)[C@@H]2C	13907409	167303332	/nfs/dbraw/zinc/30/33/32/167303332.db2.gz	PRVCHTDWLLFMFL-HOSYDEDBSA-N	1	0	181.323	2.811	1	0		AFAFRO
CC[NH2+][C@]12CC[C@H](C1)[C@@H](C)C2(C)C	27520447	167304113	/nfs/dbraw/zinc/30/41/13/167304113.db2.gz	REFDGGMAAKABGS-CKYFFXLPSA-N	1	0	181.323	2.811	1	0		AFAFRO
C[NH+](C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C	3796583	167851242	/nfs/dbraw/zinc/85/12/42/167851242.db2.gz	QEYHZXNEIGHKAV-UMNHJUIQSA-N	1	0	181.323	2.763	1	0	in-man	AFAFRO
C[NH+](C)[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	25968208	167851451	/nfs/dbraw/zinc/85/14/51/167851451.db2.gz	XUDICDUSDBRTAJ-JBLDHEPKSA-N	1	0	181.323	2.763	1	0		AFAFRO
C[NH+]1CC23CC4(C)CC2(C1)CC4(C)C3	103281766	167901901	/nfs/dbraw/zinc/90/19/01/167901901.db2.gz	LYISOJCPVRBEJP-UHFFFAOYSA-N	1	0	191.318	2.518	1	0		AFAFRO
C[NH2+][C@H]1C[C@H]2CC[C@@H]1c1ccccc12	27658096	168060065	/nfs/dbraw/zinc/06/00/65/168060065.db2.gz	WIKWYQRRQLCIEC-WQAKAFBOSA-N	1	0	187.286	2.639	1	0		AFAFRO
C[C@]12C[C@@H]3C[C@]([NH3+])(C1)C[C@@](C[18F])(C3)C2	101998258	168692333	/nfs/dbraw/zinc/69/23/33/168692333.db2.gz	JVAGSWCGOMXYJB-INQJSDAQSA-N	1	0	196.300	2.644	1	0		AFAFRO
Cc1[nH+]c(N)cc2[nH]c3ccccc3c12	5765026	168699791	/nfs/dbraw/zinc/69/97/91/168699791.db2.gz	NZFKVLPYMQSGMW-UHFFFAOYSA-N	1	0	197.241	2.558	1	0		AFAFRO
Cc1cc[n+](C2CCCCC2)cc1	72141866	168790908	/nfs/dbraw/zinc/79/09/08/168790908.db2.gz	WQJRXSXNXOSPET-UHFFFAOYSA-N	1	0	176.283	2.788	1	0		AFAFRO
Clc1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]2C1	28528801	169023478	/nfs/dbraw/zinc/02/34/78/169023478.db2.gz	KDZPPWGNKAHPOD-JGVFFNPUSA-N	1	0	193.677	2.514	1	0		AFAFRO
Clc1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]2C1	28528802	169024069	/nfs/dbraw/zinc/02/40/69/169024069.db2.gz	KDZPPWGNKAHPOD-SFYZADRCSA-N	1	0	193.677	2.514	1	0		AFAFRO
[NH2+]=Cc1ccc(-c2cccnc2)s1	28125038	169144603	/nfs/dbraw/zinc/14/46/03/169144603.db2.gz	VVFTYYAQYNDSKF-UHFFFAOYSA-N	1	0	188.255	2.808	1	0		AFAFRO
[NH3+][C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	6096046	169250676	/nfs/dbraw/zinc/25/06/76/169250676.db2.gz	UBSHVQWBMLZXOR-SUHUHFCYSA-N	1	0	199.297	2.827	1	0		AFAFRO
[NH3+][C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	6096042	169250776	/nfs/dbraw/zinc/25/07/76/169250776.db2.gz	UBSHVQWBMLZXOR-OSMZGAPFSA-N	1	0	199.297	2.827	1	0		AFAFRO
CC1(C)OC(c2ccccc2)=CC1=[NH2+]	26729150	171045998	/nfs/dbraw/zinc/04/59/98/171045998.db2.gz	UTAFRYHTQHIFPM-UHFFFAOYSA-N	1	0	187.242	2.856	1	0		AFAFRO
C[N@@H+]1CCC12C1CC3CC(C1)CC2C3	28900972	171048046	/nfs/dbraw/zinc/04/80/46/171048046.db2.gz	YPKKKPLBTZCCMU-UHFFFAOYSA-N	1	0	191.318	2.517	1	0		AFAFRO
CC[n+]1cccc(-c2ccccc2)c1	84669840	171131957	/nfs/dbraw/zinc/13/19/57/171131957.db2.gz	TUMQPMKVYZEMTE-UHFFFAOYSA-N	1	0	184.262	2.661	1	0		AFAFRO
C[N@@H+]1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]13	169292095	171165304	/nfs/dbraw/zinc/16/53/04/171165304.db2.gz	YLLZAPJMOSMNFZ-IJLVLRJLSA-N	1	0	191.318	2.517	1	0		AFAFRO
CC(C)C12C[C@@H]3C[C@@H](CC([NH3+])(C3)C1)C2	5165145	351339954	/nfs/dbraw/zinc/33/99/54/351339954.db2.gz	UNZLVAUDWGXALA-MPEURRAXSA-N	1	0	193.334	2.940	1	0		AFAFRO