smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+]1(CC)[C@@H](C)CCC[C@@H]1C	5688407	343006733	/nfs/dbraw/zinc/00/67/33/343006733.db2.gz	YWZGBJRUJMCHLS-QWRGUYRKSA-N	1	0	170.320	2.804	10	5		AFBERO
CC[N+]1(CC)[C@H](C)CCC[C@H]1C	5688406	343006755	/nfs/dbraw/zinc/00/67/55/343006755.db2.gz	YWZGBJRUJMCHLS-GHMZBOCLSA-N	1	0	170.320	2.804	10	5		AFBERO
C=C[C@@H](c1ccccc1)[N+](C)(C)C	34237013	343114434	/nfs/dbraw/zinc/11/44/34/343114434.db2.gz	LGKGGZOACJLTJE-LBPRGKRZSA-N	1	0	176.283	2.620	10	5		AFBERO
C=C/C=C\C[N+]1(CC)CCCCC1	34771924	166141554	/nfs/dbraw/zinc/14/15/54/166141554.db2.gz	BDQAZBWEAUYFFC-ALCCZGGFSA-N	1	0	180.315	2.749	10	5		AFBERO
CC1(C)[C@H]2CC[C@]1(C)C[N+](C)(C)C2	2040151	166701428	/nfs/dbraw/zinc/70/14/28/166701428.db2.gz	AMTHKVRAVJJVJT-CMPLNLGQSA-N	1	0	182.331	2.519	10	5		AFBERO
CCCCCC[N+]1(C)CCCC1	27558755	166860430	/nfs/dbraw/zinc/86/04/30/166860430.db2.gz	SVONMDAUOJGXHL-UHFFFAOYSA-N	1	0	170.320	2.807	10	5		AFBERO
CC[N+](C)(CC)c1cccc(C)c1	1855680	167712915	/nfs/dbraw/zinc/71/29/15/167712915.db2.gz	FIPBSNCYSKFQBO-UHFFFAOYSA-N	1	0	178.299	2.972	10	5		AFBERO
CC[N+]1(CC)c2ccccc2C[C@H]1C	5431752	167713396	/nfs/dbraw/zinc/71/33/96/167713396.db2.gz	NHJHZKIZYLQRCK-LLVKDONJSA-N	1	0	190.310	2.978	10	5		AFBERO
CC[N@@+]1(C)C[C@H]2CC[C@@](C)(C1)C2(C)C	245238701	167713762	/nfs/dbraw/zinc/71/37/62/167713762.db2.gz	ZCBWZIDLZUDXMT-XBFCOCLRSA-N	1	0	196.358	2.909	10	5		AFBERO
C[C@@H](CCC[N+](C)(C)C)c1ccco1	1852183	168338193	/nfs/dbraw/zinc/33/81/93/168338193.db2.gz	RSIAIHFWZRIDKB-NSHDSACASA-N	1	0	196.314	2.870	10	5		AFBERO
C[C@H](CCC[N+](C)(C)C)c1ccco1	1852184	168524164	/nfs/dbraw/zinc/52/41/64/168524164.db2.gz	RSIAIHFWZRIDKB-LLVKDONJSA-N	1	0	196.314	2.870	10	5		AFBERO
Cc1cc([N+]#N)c([N+](=O)[O-])cc1C	38435494	168783236	/nfs/dbraw/zinc/78/32/36/168783236.db2.gz	HUGQIDZFUFAAML-UHFFFAOYSA-N	1	0	178.171	2.696	10	5		AFBERO
C[N+]1(C)CCC(c2ccccc2)CC1	3636019	171009582	/nfs/dbraw/zinc/00/95/82/171009582.db2.gz	JXLRDUKTARNOEI-UHFFFAOYSA-N	1	0	190.310	2.640	10	5		AFBERO
N#[N+]c1ccc([N+](=O)[O-])cc1Cl	5784797	171018002	/nfs/dbraw/zinc/01/80/02/171018002.db2.gz	RPBHOCHAHBSRLM-UHFFFAOYSA-N	1	0	184.562	2.733	10	5		AFBERO
N#[N+]c1ccc(Cl)c([N+](=O)[O-])c1	39212569	171077684	/nfs/dbraw/zinc/07/76/84/171077684.db2.gz	DUMZZGYGCHBFIV-UHFFFAOYSA-N	1	0	184.562	2.733	10	5		AFBERO
C[N+]1(c2ccc(O)cc2)CCCCC1	33856073	171226295	/nfs/dbraw/zinc/22/62/95/171226295.db2.gz	CDLHVDKBJIMUEX-UHFFFAOYSA-O	1	0	192.282	2.513	10	5		AFBERO
CC[N+]1(CC)c2ccccc2C[C@@H]1C	1564956	342947937	/nfs/dbraw/zinc/94/79/37/342947937.db2.gz	NHJHZKIZYLQRCK-NSHDSACASA-N	1	0	190.310	2.978	10	5		AFBERO
C=C[C@H](c1ccccc1)[N+](C)(C)C	34237015	343114610	/nfs/dbraw/zinc/11/46/10/343114610.db2.gz	LGKGGZOACJLTJE-GFCCVEGCSA-N	1	0	176.283	2.620	10	5		AFBERO
CCCC[N+]1(C)CCCCCC1	113308776	343758347	/nfs/dbraw/zinc/75/83/47/343758347.db2.gz	IAJAXMLFMGGDTG-UHFFFAOYSA-N	1	0	170.320	2.807	10	5		AFBERO
Cc1ccc([N+](=O)[O-])c(C)c1[N+]#N	132384464	343897366	/nfs/dbraw/zinc/89/73/66/343897366.db2.gz	FWOUOABZEQPTEI-UHFFFAOYSA-N	1	0	178.171	2.696	10	5		AFBERO
N#[N+]c1cc([N+](=O)[O-])ccc1Cl	132387317	343897398	/nfs/dbraw/zinc/89/73/98/343897398.db2.gz	XSGHPPBTCDSWRT-UHFFFAOYSA-N	1	0	184.562	2.733	10	5		AFBERO
N#[N+]c1cc(Cl)ccc1[N+](=O)[O-]	132383603	343897441	/nfs/dbraw/zinc/89/74/41/343897441.db2.gz	ZEOLGGIJOADUCK-UHFFFAOYSA-N	1	0	184.562	2.733	10	5		AFBERO
CC(C)(C)C1CC[N+](C)(C)CC1	148011681	344046507	/nfs/dbraw/zinc/04/65/07/344046507.db2.gz	KWFQEPLCDOQMFX-UHFFFAOYSA-N	1	0	170.320	2.519	10	5		AFBERO
C[C@H]1C[N+](C)(C(C)(C)C)C[C@@H]1C	220194393	344430967	/nfs/dbraw/zinc/43/09/67/344430967.db2.gz	MQQIIAAIGQESJZ-UWVGGRQHSA-N	1	0	170.320	2.517	10	5		AFBERO
C[C@@H]1C[N+](C)(C(C)(C)C)C[C@H]1C	220194479	344431156	/nfs/dbraw/zinc/43/11/56/344431156.db2.gz	MQQIIAAIGQESJZ-NXEZZACHSA-N	1	0	170.320	2.517	10	5		AFBERO
N#[N+]c1cccc([N+](=O)[O-])c1Cl	306256124	345147712	/nfs/dbraw/zinc/14/77/12/345147712.db2.gz	WAMDXBQHVDOYCS-UHFFFAOYSA-N	1	0	184.562	2.733	10	5		AFBERO
C[N+](C)(C/C=C/Cl)C1CCCC1	306889107	345685906	/nfs/dbraw/zinc/68/59/06/345685906.db2.gz	XBFYOLTZAHJEOJ-VMPITWQZSA-N	1	0	188.722	2.758	10	5		AFBERO
C#[N+]c1ccc([N+](=O)[O-])cc1Cl	95698271	351671782	/nfs/dbraw/zinc/67/17/82/351671782.db2.gz	VDXUYONBOVKOHG-UHFFFAOYSA-N	1	0	182.566	2.799	10	5		AFBERO
C#[N+]c1cc([N+](=O)[O-])ccc1Cl	104403330	351712989	/nfs/dbraw/zinc/71/29/89/351712989.db2.gz	HUEPFWDYXGMWDZ-UHFFFAOYSA-N	1	0	182.566	2.799	10	5		AFBERO
C[C@@H]1C[N@@+](C)(C(C)(C)C)C[C@@H]1C	584613897	375553361	/nfs/dbraw/zinc/55/33/61/375553361.db2.gz	MQQIIAAIGQESJZ-PEGIJTEDSA-N	1	0	170.320	2.517	10	5		AFBERO
CC[N@+]1(C)C[C@H]2CC[C@@](C)(C1)C2(C)C	245238700	409527634	/nfs/dbraw/zinc/52/76/34/409527634.db2.gz	ZCBWZIDLZUDXMT-KWCYVHTRSA-N	1	0	196.358	2.909	10	5		AFBERO
C[N+](C)(C)CCCCc1ccccc1	2001018	717092216	/nfs/dbraw/zinc/09/22/16/717092216.db2.gz	LAPRPYWHRSEAIG-UHFFFAOYSA-N	1	0	192.326	2.716	10	5		AFBERO
CC[N+](CC)(CC)c1cccc(O)c1	2015902	717093739	/nfs/dbraw/zinc/09/37/39/717093739.db2.gz	CYKLMMLDTNBEGG-UHFFFAOYSA-O	1	0	194.298	2.759	10	5		AFBERO
C=Cc1ccccc1C[N+](C)(C)C	6068167	717103468	/nfs/dbraw/zinc/10/34/68/717103468.db2.gz	SVBDYAHXVSJABF-UHFFFAOYSA-N	1	0	176.283	2.536	10	5		AFBERO
C[C@H]1C[C@H](C)CC[C@@H]1C[N+](C)(C)C	16608563	717112175	/nfs/dbraw/zinc/11/21/75/717112175.db2.gz	QOLHTOUTSSIUCK-GRYCIOLGSA-N	1	0	184.347	2.765	10	5		AFBERO
CCC[N+](C)(C)Cc1ccccc1	59076602	717131116	/nfs/dbraw/zinc/13/11/16/717131116.db2.gz	GRHHVGHRQARKAM-UHFFFAOYSA-N	1	0	178.299	2.673	10	5		AFBERO
CC(C)C[N+](C)(C)C1CCCC1	60943077	717132022	/nfs/dbraw/zinc/13/20/22/717132022.db2.gz	UZZNQVBCRRPDDC-UHFFFAOYSA-N	1	0	170.320	2.661	10	5		AFBERO
C[N+](C)(C)C/C=C\C=C1C=CCC=C1	108822836	717147693	/nfs/dbraw/zinc/14/76/93/717147693.db2.gz	JNPPRBCRYHPQRR-FPLPWBNLSA-N	1	0	190.310	2.691	10	5		AFBERO
CCCC[N@@+]1(C)CCC[C@H](C)C1	584616472	717184642	/nfs/dbraw/zinc/18/46/42/717184642.db2.gz	MVACWFKEFPATDE-RYUDHWBXSA-N	1	0	170.320	2.663	10	5		AFBERO
CCCC[N@+]1(C)CCC[C@H](C)C1	584616471	717184774	/nfs/dbraw/zinc/18/47/74/717184774.db2.gz	MVACWFKEFPATDE-NWDGAFQWSA-N	1	0	170.320	2.663	10	5		AFBERO
CCCC[N@+]1(C)CCC[C@@H](C)C1	584616473	717184965	/nfs/dbraw/zinc/18/49/65/717184965.db2.gz	MVACWFKEFPATDE-VXGBXAGGSA-N	1	0	170.320	2.663	10	5		AFBERO
CCCC[N@@+]1(C)CCC[C@@H](C)C1	584616470	717185032	/nfs/dbraw/zinc/18/50/32/717185032.db2.gz	MVACWFKEFPATDE-NEPJUHHUSA-N	1	0	170.320	2.663	10	5		AFBERO
C[C@H]1C[C@H](C)CC[C@H]1C[N+](C)(C)C	16608559	572074889	/nfs/dbraw/zinc/07/48/89/572074889.db2.gz	QOLHTOUTSSIUCK-WOPDTQHZSA-N	1	0	184.347	2.765	10	5		AFBERO
C[C@@H]1CC[C@H](C[N+](C)(C)C)[C@H](C)C1	35742114	572183760	/nfs/dbraw/zinc/18/37/60/572183760.db2.gz	QOLHTOUTSSIUCK-IJLUTSLNSA-N	1	0	184.347	2.765	10	5		AFBERO
C[C@H]1CC[C@@H](C[N+](C)(C)C)[C@H](C)C1	35742119	572183884	/nfs/dbraw/zinc/18/38/84/572183884.db2.gz	QOLHTOUTSSIUCK-TUAOUCFPSA-N	1	0	184.347	2.765	10	5		AFBERO
C[C@H]1CC[C@H](C[N+](C)(C)C)[C@H](C)C1	35742116	572184605	/nfs/dbraw/zinc/18/46/05/572184605.db2.gz	QOLHTOUTSSIUCK-QJPTWQEYSA-N	1	0	184.347	2.765	10	5		AFBERO
C[C@@H]1CC[C@@H](C[N+](C)(C)C)[C@H](C)C1	35742117	572184828	/nfs/dbraw/zinc/18/48/28/572184828.db2.gz	QOLHTOUTSSIUCK-UTUOFQBUSA-N	1	0	184.347	2.765	10	5		AFBERO
C=Cc1ccccc1[N+](C)(C)C	60240143	572340443	/nfs/dbraw/zinc/34/04/43/572340443.db2.gz	GCIFKRCWHWDETA-UHFFFAOYSA-N	1	0	162.256	2.526	10	5		AFBERO
Nc1cc[nH+]c2ccc3ccccc3c12	238649410	572355959	/nfs/dbraw/zinc/35/59/59/572355959.db2.gz	DJXHNWHMJNLXIA-UHFFFAOYSA-N	1	0	194.237	2.970	10	5		AFBERO
Nc1ccc2ccc3ncccc3c2c1	238580212	572828586	/nfs/dbraw/zinc/82/85/86/572828586.db2.gz	NLBCRRHBCPGCFS-UHFFFAOYSA-N	1	0	194.237	2.970	10	5		AFBERO
Nc1ccc2c(ccc3cnccc32)c1	238579463	572829686	/nfs/dbraw/zinc/82/96/86/572829686.db2.gz	ZMDXPNRPPDTZHW-UHFFFAOYSA-N	1	0	194.237	2.970	10	5		AFBERO