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)Cc1cc(F)c(F)cc1O	2540263	342975938	/nfs/dbraw/zinc/97/59/38/342975938.db2.gz	VVNLJNPGCNVLMC-UHFFFAOYSA-N	1	1	187.189	1.732	40	10		ADCBMO
C[NH2+]Cc1ccc(Cl)cc1O	3851243	168018561	/nfs/dbraw/zinc/01/85/61/168018561.db2.gz	FRXUCMVGZWTKPF-UHFFFAOYSA-N	1	1	171.627	1.765	40	10		ADCBMO
COC[C@H]([NH3+])c1ccc(F)cc1O	97758859	168190644	/nfs/dbraw/zinc/19/06/44/168190644.db2.gz	SYBFXMZDBNUWEH-QMMMGPOBSA-N	1	1	185.198	1.178	40	10		ADCBMO
COc1ccc2c(c1O)C[N@H+](C)CC2	3847387	168264495	/nfs/dbraw/zinc/26/44/95/168264495.db2.gz	KFTZCBYXLNSGBP-UHFFFAOYSA-N	1	1	193.246	1.389	40	10		ADCBMO
[NH3+]Cc1cc(F)c(F)cc1O	199555088	169220135	/nfs/dbraw/zinc/22/01/35/169220135.db2.gz	IEZTTXWIPNNLCA-UHFFFAOYSA-N	1	1	159.135	1.129	40	10		ADCBMO
Nc1cc[nH+]c2c1C(=O)c1ccccc1-2	36064640	169300887	/nfs/dbraw/zinc/30/08/87/169300887.db2.gz	XLBASSHHEKJMNR-UHFFFAOYSA-N	1	1	196.209	1.875	40	10		ADCBMO
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2[N+]#N	26441597	343088245	/nfs/dbraw/zinc/08/82/45/343088245.db2.gz	SXDZTOIWUJMSIH-LDWIPMOCSA-N	1	1	178.235	1.682	40	10		ADCBMO
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2[N+]#N	26441600	343088340	/nfs/dbraw/zinc/08/83/40/343088340.db2.gz	SXDZTOIWUJMSIH-QUBYGPBYSA-N	1	1	178.235	1.682	40	10		ADCBMO
C[C@H]([NH3+])c1ccc(F)cc1O	62744658	343378874	/nfs/dbraw/zinc/37/88/74/343378874.db2.gz	UOYQFEYBPZGEAZ-YFKPBYRVSA-N	1	1	155.172	1.551	40	10	in-vitro	ADCBMO
Cc1[nH]c2cc(O)c(O)cc2[nH+]1	95924604	343690776	/nfs/dbraw/zinc/69/07/76/343690776.db2.gz	AXUDYYPUJZTLSH-UHFFFAOYSA-N	1	1	164.164	1.283	40	10		ADCBMO
N#[N+]C1C(=O)[C@@H]2C[C@@H]3C[C@H]1C[C@H]2C3	5835185	351347372	/nfs/dbraw/zinc/34/73/72/351347372.db2.gz	CDKYCXBMVDJPOJ-FKSUSPILSA-N	1	1	176.219	1.292	40	10		ADCBMO
N#[N+]C1C(=O)C2C[C@@H]3CC1C[C@H](C2)C3	18066364	351384206	/nfs/dbraw/zinc/38/42/06/351384206.db2.gz	AELLTOPYBRVUAP-QPIHLSAKSA-N	1	1	190.246	1.682	40	10		ADCBMO