smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(NN)nc(-c2ccccc2O)c(C#N)c1=O	ZINC000072180300	176334601	/nfs/dbraw/zinc/33/46/01/176334601.db2.gz	PBTBTRFQLATXHN-UHFFFAOYSA-N	0	1	257.253	0.310	1	30		CCEFMN
NC/C(=N\NC(N)=S)c1cccc([N+](=O)[O-])c1	ZINC000096914170	185128850	/nfs/dbraw/zinc/12/88/50/185128850.db2.gz	FDLSPBGEKFKSGV-XYOKQWHBSA-N	0	1	253.287	0.091	1	30		CCEFMN
CC1(C)OC[C@@H]([C@@H](O)[C@@H]2OC(C)(C)O[C@@H]2/C=N\O)O1	ZINC000105501559	186061585	/nfs/dbraw/zinc/06/15/85/186061585.db2.gz	GCYSHDWLKNPSBV-HEFMHHTFSA-N	0	1	275.301	0.479	1	30		CCEFMN
COC1=CC(=O)c2ncnc(NCCCN(C)C)c2C1=O	ZINC000005957703	170161960	/nfs/dbraw/zinc/16/19/60/170161960.db2.gz	XMEQVWNXYMYXAB-UHFFFAOYSA-N	0	1	290.323	0.750	1	30		CCEFMN
N#Cc1c(=O)[nH]c(NCCO)nc1-c1cccnc1	ZINC000009682980	170384339	/nfs/dbraw/zinc/38/43/39/170384339.db2.gz	DGEUJKJQJVLRQP-UHFFFAOYSA-N	0	1	257.253	0.108	1	30		CCEFMN
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC[C@@H]3N	ZINC000028229024	171552121	/nfs/dbraw/zinc/55/21/21/171552121.db2.gz	DQCZTRDLNIHFJW-QMMMGPOBSA-N	0	1	272.308	0.645	1	30		CCEFMN
COc1cccc(N=Nc2c(=O)[nH]n3c2[nH]c(C)cc3=O)c1	ZINC000095544756	185007880	/nfs/dbraw/zinc/00/78/80/185007880.db2.gz	UIDWEEDDPWUJMC-SFQUDFHCSA-N	0	1	299.290	0.460	3	30		CCEFMN
O=C(NCCS)/C(Cc1ccc(O)cc1)=N/O	ZINC000044091369	526370917	/nfs/dbraw/zinc/37/09/17/526370917.db2.gz	MDTFVABOGIOJNL-JLHYYAGUSA-N	0	1	254.311	0.811	1	30		CCEFMN
COc1ccc(-c2nc(NCCO)[nH]c(=O)c2C#N)cc1	ZINC000009691971	170384553	/nfs/dbraw/zinc/38/45/53/170384553.db2.gz	IFEQEDSIDKSWRR-UHFFFAOYSA-N	0	1	286.291	0.721	1	30		CCEFMN
NN=C(N)C1=C(N)N(c2ccccc2)C(=O)N2CCC[C@H]12	ZINC000045298446	134915612	/nfs/dbraw/zinc/91/56/12/134915612.db2.gz	CBIWATVYQTXGTF-SNVBAGLBSA-N	0	1	286.339	0.492	1	30		CCEFMN
O=C1NOC(=O)C1CC[S@](=O)c1ccccc1	ZINC000040514449	174306533	/nfs/dbraw/zinc/30/65/33/174306533.db2.gz	FJJSTIBTIWNZJS-VVVCHXIZSA-N	0	1	253.279	0.389	1	30		CCEFMN
O=C(CCCNC(=O)[C@@H]1Cc2ccccc2CN1)NO	ZINC000072116495	176318734	/nfs/dbraw/zinc/31/87/34/176318734.db2.gz	XXJYJVRDAQSTOB-LBPRGKRZSA-N	0	1	277.324	0.103	1	30		CCEFMN
COc1ccc(C=Nn2cnc3[nH]ncc3c2=O)cc1O	ZINC000096913350	185129196	/nfs/dbraw/zinc/12/91/96/185129196.db2.gz	IBUPQBWKVDQSNV-FZSIALSZSA-N	0	1	285.263	0.716	1	30		CCEFMN
CC[C@@H](C)NC(=O)[C@@H]1[C@@H](C(=O)NO)CC2(CC2)CN1C	ZINC000035246441	172078142	/nfs/dbraw/zinc/07/81/42/172078142.db2.gz	AXVVLBQLURTOIQ-VWYCJHECSA-N	0	1	283.372	0.507	1	30		CCEFMN
Cn1nc(Cc2ccccc2)c2c1N(O)C(=O)[C@@H](N)C2	ZINC000095603497	185015178	/nfs/dbraw/zinc/01/51/78/185015178.db2.gz	ABBLRYAESUTTSD-NSHDSACASA-N	0	1	272.308	0.617	1	30		CCEFMN
C[N+](C)(C)[C@@H](Cc1cnc(SCCO)[nH]1)C(=O)[O-]	ZINC000015202953	717111241	/nfs/dbraw/zinc/11/12/41/717111241.db2.gz	HXAHFTCGXFDSTP-VIFPVBQESA-O	0	1	274.366	0.196	1	30		CCEFMN
O=C1NOC(=O)C1CC[S@@](=O)c1ccccc1	ZINC000040514450	174306387	/nfs/dbraw/zinc/30/63/87/174306387.db2.gz	FJJSTIBTIWNZJS-XYZCENFISA-N	0	1	253.279	0.389	1	30		CCEFMN
C#CCN(C)C[C@H](O)COc1ccc(C(N)=O)cc1	ZINC000096934871	185133253	/nfs/dbraw/zinc/13/32/53/185133253.db2.gz	ZRQLQOQLUCCNOF-LBPRGKRZSA-N	0	1	262.309	0.090	1	30		CCEFMN
CC[C@H](C)NC(=O)[C@@H]1[C@@H](C(=O)NO)CC2(CC2)CN1C	ZINC000035246443	172077771	/nfs/dbraw/zinc/07/77/71/172077771.db2.gz	AXVVLBQLURTOIQ-DCAQKATOSA-N	0	1	283.372	0.507	1	30		CCEFMN
N#Cc1c(=O)[n-]sc1NCCC[NH+]1CCOCC1	ZINC000040763169	174397065	/nfs/dbraw/zinc/39/70/65/174397065.db2.gz	PWCBRVVDNHABIW-UHFFFAOYSA-N	0	1	268.342	0.855	1	30		CCEFMN
NC/C(=N\NC(N)=S)c1ccc([N+](=O)[O-])cc1	ZINC000096914173	185129445	/nfs/dbraw/zinc/12/94/45/185129445.db2.gz	MNLSZUHLUQNBQW-XYOKQWHBSA-N	0	1	253.287	0.091	1	30		CCEFMN
COc1cc(C=Nn2cnc3[nH]ncc3c2=O)ccc1O	ZINC000096913347	185129555	/nfs/dbraw/zinc/12/95/55/185129555.db2.gz	SETCHYJPRILJLW-FZSIALSZSA-N	0	1	285.263	0.716	1	30		CCEFMN
O=C1CC2CCN3Cc4cc5c(cc4[C@H](C1=O)[C@@H]23)OCO5	ZINC000045285010	175353611	/nfs/dbraw/zinc/35/36/11/175353611.db2.gz	HVPDCMMHMJQOAL-ARFHVFGLSA-N	0	1	285.299	0.957	1	30		CCEFMN
CC(C)CNc1nc(C#N)nc(NCc2nn[nH]n2)c1N	ZINC000040402260	174253116	/nfs/dbraw/zinc/25/31/16/174253116.db2.gz	XWXGGFKBQKUWIK-UHFFFAOYSA-N	0	1	288.319	0.124	1	30		CCEFMN
C#CCN(C)C[C@@H](O)COc1ccc(C(N)=O)cc1	ZINC000096934872	185133290	/nfs/dbraw/zinc/13/32/90/185133290.db2.gz	ZRQLQOQLUCCNOF-GFCCVEGCSA-N	0	1	262.309	0.090	1	30		CCEFMN
CN1C(=O)[C@@H](C(=O)C=Cc2ccccc2)[C@H](N)N(C)C1=O	ZINC000100929951	185730798	/nfs/dbraw/zinc/73/07/98/185730798.db2.gz	UHQMPCQPCHKUEU-AYSSICMYSA-N	0	1	287.319	0.694	1	30		CCEFMN
O=c1c2cn[nH]c2ncn1N=Cc1ccc2c(c1)OCO2	ZINC000096913352	185129526	/nfs/dbraw/zinc/12/95/26/185129526.db2.gz	BZVVNEGIFBVWHL-AYSLTRBKSA-N	0	1	283.247	0.731	1	30		CCEFMN
O=C1OC(Cc2ccccn2)C(=O)C1=C1NCCCN1	ZINC000008685042	170345556	/nfs/dbraw/zinc/34/55/56/170345556.db2.gz	BJRRXJJBMZYQBZ-JTQLQIEISA-N	0	1	273.292	0.753	1	30		CCEFMN
Cn1cc[n+](CCCC(C)(C)[N+](=O)[O-])c1C=N[O-]	ZINC000028772168	171574651	/nfs/dbraw/zinc/57/46/51/171574651.db2.gz	DDBGPUFVIQYFHJ-UHFFFAOYSA-O	0	1	255.298	0.956	1	30		CCEFMN
C[NH+]=C(NCCSCc1[nH]cnc1C)S(=O)(=O)[O-]	ZINC000040631404	174358147	/nfs/dbraw/zinc/35/81/47/174358147.db2.gz	DWCGBWKDTJZHQT-UHFFFAOYSA-N	0	1	292.386	0.415	1	30		CCEFMN
O=C(N[C@H]1COCC(=O)N(O)C1=O)OCc1ccccc1	ZINC000029045194	171584246	/nfs/dbraw/zinc/58/42/46/171584246.db2.gz	RLWHYOQRMGGLAI-JTQLQIEISA-N	0	1	294.263	0.056	1	30		CCEFMN
C#CCN(C)C[C@H](O)COc1ccc(CC(=O)OC)cc1	ZINC000096934650	185132817	/nfs/dbraw/zinc/13/28/17/185132817.db2.gz	YYANTAYYBPUAMM-AWEZNQCLSA-N	0	1	291.347	0.707	1	30		CCEFMN